474	930	952	0:SP3_SP2_SP3	C[5,6]	C	S	4:4:4:3:	4:2:1:	4:3:1:1:	C[5,5,6]-4:C[5,6]-4:S-4:C-3:	C[5,6]-4:O-2:O-1:	C[5,6]-4:C[6a]-3:O-1:O-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(SC[6a]OO)(COO)	C(C[5,6]C[5,5,6]C[5,6]S)(OC)(O)	S(C[5,6]C[5,5,6]C[5,6]C)(C[6a]C[6a]2)(O)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(SC[6a]OO)(COO){1|C<4>,1|N<2>,3|H<1>}	C(C[5,6]C[5,5,6]C[5,6]S)(OC)(O)	S(C[5,6]C[5,5,6]C[5,6]C)(C[6a]C[6a]2)(O)2	108.4720	0.000	1	108.4720	0.000	1	108.4720	0.000	1	108.4720	0.000	1	108.4720	0.000	1	108.4720	0.000	1
474	930	955	0:SP3_SP2_SP3	C[5]	C	P[5]	3:4:3:1:	4:2:1:	4:4:3:3:	C[5,6]-3:P[5]-4:C-3:H-1:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]2C[5])(COO)(H)	C(C[5]C[5,6]P[5]H)(OC)(O)	P[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(C[6a]C[6a]2)2	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]2C[5])(COO)(H){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	C(C[5]C[5,6]P[5]H)(OC)(O)	P[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(C[6a]C[6a]2)2{1|H<1>,5|C<3>,5|C<4>}	107.0430	0.000	1	107.0430	0.000	1	107.0430	0.000	1	107.0430	0.000	1	112.3097	32.947	7	112.3097	32.947	7
474	930	955	0:SP3_SP2_SP3	C[5]	C	P[5]	3:4:3:1:	4:3:1:	3:4:2:1:	C[5,6a]-3:P[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:O-1:	N[5,6]-3:C[5]-4:O-2:O-1:	C[5](C[5,6a]C[5,6,6a]C[6a])(P[5]N[5,6]OO)(CC[6a]O)(H)	C(C[5]C[5,6a]P[5]H)(C[6a]C[6a]2)(O)	P[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]CH)(OC)(O)	C[5](C[5,6a]C[5,6,6a]C[6a])(P[5]N[5,6]OO)(CC[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]P[5]H)(C[6a]C[6a]2)(O)	P[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]CH)(OC)(O){1|C<4>,2|C<3>,2|H<1>}	113.0400	0.000	1	113.0400	0.000	1	113.0400	0.000	1	113.0400	0.000	1	112.3097	32.947	7	112.3097	32.947	7
474	930	955	0:SP3_SP2_SP3	C[5]	C	P[5]	4:2:3:1:	4:3:1:	3:3:4:3:	P[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-3:	C[5](P[5]C[6a]2C[5])(O[5]B[5])(CCH)(H)	C(C[5]O[5]P[5]H)(CC[6a]H)(H)	P[5](C[6a]C[6a]2)2(C[5]O[5]CH)(C[5]B[5]C)	C[5](P[5]C[6a]2C[5])(O[5]B[5])(CCH)(H){7|C<3>}	C(C[5]O[5]P[5]H)(CC[6a]H)(H)	P[5](C[6a]C[6a]2)2(C[5]O[5]CH)(C[5]B[5]C){4|F<1>,6|C<3>}	110.4460	0.000	1	110.4460	0.000	1	110.4460	0.000	1	110.4460	0.000	1	112.3097	32.947	7	112.3097	32.947	7
474	930	955	0:SP3_SP2_SP3	C[5]	C	P[5]	4:2:3:1:	4:3:1:	3:3:4:4:	P[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-4:	C[5](P[5]C[6a]2C[5])(O[5]B[5])(CCH)(H)	C(C[5]O[5]P[5]H)(CC[6a]H)(H)	P[5](C[6a]C[6a]2)2(C[5]B[5]CH)(C[5]O[5]CH)	C[5](P[5]C[6a]2C[5])(O[5]B[5])(CCH)(H){1|C<4>,1|H<1>,6|C<3>}	C(C[5]O[5]P[5]H)(CC[6a]H)(H)	P[5](C[6a]C[6a]2)2(C[5]B[5]CH)(C[5]O[5]CH){4|F<1>,6|C<3>}	117.8760	0.000	1	117.8760	0.000	1	117.8760	0.000	1	117.8760	0.000	1	112.3097	32.947	7	112.3097	32.947	7
474	930	955	0:SP3_SP2_SP3	C[5]	C	P[5]	4:2:4:3:	4:2:1:	4:4:1:1:	P[5]-4:O[5]-2:C-4:C-3:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-4:O-1:O-1:	C[5](P[5]C[5]OO)(O[5]C[5])(CH3)(COO)	C(C[5]O[5]P[5]C)(OH)(O)	P[5](C[5]C[5]CO)(C[5]O[5]CC)(O)2	C[5](P[5]C[5]OO)(O[5]C[5])(CH3)(COO){1|C<4>,1|O<1>,1|O<2>}	C(C[5]O[5]P[5]C)(OH)(O)	P[5](C[5]C[5]CO)(C[5]O[5]CC)(O)2{1|O<1>}	110.7500	0.000	1	110.7500	0.000	1	110.7500	0.000	1	110.7500	0.000	1	112.3097	32.947	7	112.3097	32.947	7
474	930	955	0:SP3_SP2_SP3	C[5]	C	P[5]	4:3:3:3:	4:2:1:	4:3:3:3:	P[5]-4:C[6a]-3:C[5]-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:C[6a]-3:C[6a]-3:C[5]-3:	C[5](P[5]C[6a]2C[5])(C[6a]C[6a]2)(C[5]C[5]C)(COO)	C(C[5]C[6a]C[5]P[5])(OC)(O)	P[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)2(C[5]C[5]C)	C[5](P[5]C[6a]2C[5])(C[6a]C[6a]2)(C[5]C[5]C)(COO){2|H<1>,8|C<3>}	C(C[5]C[6a]C[5]P[5])(OC)(O)	P[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)2(C[5]C[5]C){4|H<1>,8|C<3>}	105.4550	0.000	1	105.4550	0.000	1	105.4550	0.000	1	105.4550	0.000	1	112.3097	32.947	7	112.3097	32.947	7
474	930	955	0:SP3_SP2_SP3	C[5]	C	P[5]	4:4:3:1:	4:4:3:	3:3:4:2:	P[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C-4:C-3:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5](P[5]C[6a]2O[5])(C[5]B[5]HH)(CCC)(H)	C(C[5]C[5]P[5]H)(CH3)(CHH)	P[5](C[6a]C[6a]2)2(C[5]C[5]CH)(O[5]B[5])	C[5](P[5]C[6a]2O[5])(C[5]B[5]HH)(CCC)(H){6|C<3>}	C(C[5]C[5]P[5]H)(CH3)(CHH)	P[5](C[6a]C[6a]2)2(C[5]C[5]CH)(O[5]B[5]){2|H<1>,4|C<4>,6|C<3>}	121.5580	0.000	1	121.5580	0.000	1	121.5580	0.000	1	121.5580	0.000	1	112.3097	32.947	7	112.3097	32.947	7
474	930	956	0:SP3_SP2_SP2	C[5,6]	C	N	4:4:3:3:	4:2:1:	4:3:1:	C[5,5,6]-4:C[5,6]-4:C-3:N-3:	C[5,6]-4:O-2:O-1:	C[5,6]-4:C-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(COO)(NCH)	C(C[5,6]C[5,5,6]C[5,6]N)(OC)(O)	N(C[5,6]C[5,5,6]C[5,6]C)(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)(COO)(NCH){1|C<4>,5|H<1>}	C(C[5,6]C[5,5,6]C[5,6]N)(OC)(O)	N(C[5,6]C[5,5,6]C[5,6]C)(CC[6a]O)(H)	107.9658	1.670	5	107.9658	2.788	5	108.0618	2.286	6	108.0618	2.286	6	108.7694	3.529	8	109.9805	4.185	72
474	930	956	0:SP3_SP2_SP2	C[5,6]	C	N	4:4:3:3:	4:2:1:	4:3:1:	C[5,5,6]-4:C[5,6]-4:C-3:N-3:	C[5,6]-4:O-2:O-1:	C[5,6]-4:C-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HS)(COO)(NCH)	C(C[5,6]C[5,5,6]C[5,6]N)(OC)(O)	N(C[5,6]C[5,5,6]C[5,6]C)(CCO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HS)(COO)(NCH){1|C<4>,5|H<1>}	C(C[5,6]C[5,5,6]C[5,6]N)(OC)(O)	N(C[5,6]C[5,5,6]C[5,6]C)(CCO)(H)	108.5420	0.000	1	108.5420	0.000	1	108.0618	2.286	6	108.0618	2.286	6	108.7694	3.529	8	109.9805	4.185	72
474	930	956	0:SP3_SP2_SP2	C[5,6]	C	N	4:4:3:3:	4:2:1:	4:3:2:	C[5,5,6]-4:C[5,6]-4:N-3:C-3:	C[5,6]-4:O-2:O-1:	C[5,6]-4:C[6a]-3:O-2:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(NC[6a]O)(COO)	C(C[5,6]C[5,5,6]C[5,6]N)(OC)(O)	N(C[5,6]C[5,5,6]C[5,6]C)(C[6a]C[6a]2)(OH)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(NC[6a]O)(COO){1|C<3>,4|H<1>}	C(C[5,6]C[5,5,6]C[5,6]N)(OC)(O)	N(C[5,6]C[5,5,6]C[5,6]C)(C[6a]C[6a]2)(OH)	111.6850	0.000	1	111.6850	0.000	1	111.6850	0.000	1	111.6850	0.000	1	108.7694	3.529	8	109.9805	4.185	72
474	930	956	0:SP3_SP2_SP2	C[5,6]	C	N	4:4:3:3:	4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-4:C-3:N-3:	C[5,6]-4:N-3:O-1:	C[5,6]-4:C-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HS)(CNO)(NCH)	C(C[5,6]C[5,5,6]C[5,6]N)(NCH)(O)	N(C[5,6]C[5,5,6]C[5,6]C)(CCO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HS)(CNO)(NCH){1|C<3>,4|H<1>}	C(C[5,6]C[5,5,6]C[5,6]N)(NCH)(O)	N(C[5,6]C[5,5,6]C[5,6]C)(CCO)(H)	110.0990	0.000	1	110.0990	0.000	1	110.0990	0.000	1	110.0990	0.000	1	108.7694	3.529	8	109.9805	4.185	72
474	930	956	0:SP3_SP2_SP2	C[5]	C	N	3:3:3:3:	4:2:1:	4:3:3:	N[5]-3:C[5]-3:C-3:N-3:	C[5]-4:O-2:O-1:	C[5]-4:C-3:N-3:	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(COO)(NCN)	C(C[5]C[5]N[5]N)(OC)(O)	N(C[5]C[5]N[5]C)(COO)(NCH)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(COO)(NCN){4|C<3>}	C(C[5]C[5]N[5]N)(OC)(O)	N(C[5]C[5]N[5]C)(COO)(NCH)	112.6100	0.000	1	112.6100	0.000	1	112.6100	0.000	1	112.6100	0.000	1	110.1319	4.114	64	109.9805	4.185	72
474	930	956	0:SP3_SP2_SP2	C[5]	C	N	3:3:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:N-3:	C[5]-4:C-3:H-1:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH)(NCH)	C(C[5]C[5,6a]C[5]N)(CCH)(H)	N(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)(CCH)(NCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(CCH)(H)	N(C[5]C[5,6a]C[5]C)(COO)(H)	108.2070	0.000	1	108.2070	0.000	1	108.2070	0.000	1	107.7220	0.470	2	110.1319	4.114	64	109.9805	4.185	72
474	930	956	0:SP3_SP2_SP2	C[5]	C	N	3:3:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:N-3:C-3:	C[5]-4:C-3:O-1:	C[5]-4:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]H)(CCO)	C(C[5]C[5,6a]C[5]N)(CCH)(O)	N(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]H)(CCO){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(CCH)(O)	N(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)	107.2370	0.000	1	107.2370	0.000	1	107.2370	0.000	1	107.7220	0.470	2	110.1319	4.114	64	109.9805	4.185	72
474	930	956	0:SP3_SP2_SP2	C[5]	C	N	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:N-3:	C[5]-4:C-3:C-3:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)(NCH)	C(C[5]C[5,6a]C[5]N)(CCO)(CHH)	N(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)(CCC)(NCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(CCO)(CHH)	N(C[5]C[5,6a]C[5]C)(COO)(H)	110.1600	0.000	1	110.1600	0.000	1	109.2365	1.706	2	109.2365	1.706	2	110.1319	4.114	64	109.9805	4.185	72
474	930	956	0:SP3_SP2_SP2	C[5]	C	N	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:N-3:	C[5]-4:C-3:C-3:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)(NCH)	C(C[5]C[5,6a]C[5]N)(CHH)(COO)	N(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)(CCC)(NCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(CHH)(COO)	N(C[5]C[5,6a]C[5]C)(COO)(H)	108.3130	0.000	1	108.3130	0.000	1	109.2365	1.706	2	109.2365	1.706	2	110.1319	4.114	64	109.9805	4.185	72
474	930	956	0:SP3_SP2_SP2	C[5]	C	N	3:3:3:3:	4:4:2:	4:3:2:	C[5]-3:C[5]-3:C-3:N-3:	C[5]-4:C-4:N-2:	C[5]-4:C-3:O-2:	C[5](C[5]N[5]C)(C[5]N[5]O)(CCN)(NCO)	C(C[5]C[5]2N)(CH3)(NO)	N(C[5]C[5]2C)(CCO)(OH)	C[5](C[5]N[5]C)(C[5]N[5]O)(CCN)(NCO){1|C<3>}	C(C[5]C[5]2N)(CH3)(NO)	N(C[5]C[5]2C)(CCO)(OH)	109.2290	0.000	1	109.2290	0.000	1	110.1870	1.836	2	110.1870	1.836	2	110.1319	4.114	64	109.9805	4.185	72
474	930	956	0:SP3_SP2_SP2	C[5]	C	N	3:3:3:3:	4:4:2:	4:3:2:	C[5]-3:C[5]-3:C-3:N-3:	C[5]-4:C-4:N-2:	C[5]-4:C-3:O-2:	C[5](C[5]N[5]C)(C[5]N[5]O)(CCN)(NCO)	C(C[5]C[5]2N)(CH3)(NO)	N(C[5]C[5]2C)(COO)(OH)	C[5](C[5]N[5]C)(C[5]N[5]O)(CCN)(NCO){1|C<4>}	C(C[5]C[5]2N)(CH3)(NO)	N(C[5]C[5]2C)(COO)(OH)	111.1450	0.000	1	111.1450	0.000	1	110.1870	1.836	2	110.1870	1.836	2	110.1319	4.114	64	109.9805	4.185	72
474	930	956	0:SP3_SP2_SP2	C[5]	C	N	4:2:3:3:	4:2:1:	4:3:1:	C[5]-4:O[5]-2:C-3:N-3:	C[5]-4:O-2:O-1:	C[5]-4:C-3:H-1:	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(COO)(NCH)	C(C[5]C[5]O[5]N)(OH)(O)	N(C[5]C[5]O[5]C)(CC[6a]O)(H)	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(COO)(NCH){1|Br<1>,2|C<3>}	C(C[5]C[5]O[5]N)(OH)(O)	N(C[5]C[5]O[5]C)(CC[6a]O)(H)	110.8870	0.000	1	110.8870	0.000	1	110.8870	0.000	1	110.8870	0.000	1	110.1319	4.114	64	109.9805	4.185	72
474	930	956	0:SP3_SP2_SP2	C[5]	C	N	4:4:3:3:	4:2:1:	4:1:1:	C[5]-4:C[5]-4:C-3:N-3:	C[5]-4:O-2:O-1:	C[5]-4:O-1:O-1:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(COO)(NOO)	C(C[5]C[5]2N)(OC)(O)	N(C[5]C[5]2C)(O)2	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(COO)(NOO){2|H<1>,4|C<3>}	C(C[5]C[5]2N)(OC)(O)	N(C[5]C[5]2C)(O)2	104.7605	0.932	4	104.7605	0.869	4	105.6768	3.405	6	105.6768	3.405	6	110.1319	4.114	64	109.9805	4.185	72
474	930	956	0:SP3_SP2_SP2	C[5]	C	N	4:4:3:3:	4:2:1:	4:1:1:	C[5]-4:C[5]-4:C-3:N-3:	C[5]-4:O-2:O-1:	C[5]-4:O-1:O-1:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(COO)(NOO)	C(C[5]C[5]2N)(OC)(O)	N(C[5]C[5]2C)(O)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(COO)(NOO){1|S<4>,2|C<3>,2|H<1>}	C(C[5]C[5]2N)(OC)(O)	N(C[5]C[5]2C)(O)2	108.9830	0.000	1	108.9830	0.000	1	105.6768	3.405	6	105.6768	3.405	6	110.1319	4.114	64	109.9805	4.185	72
474	930	956	0:SP3_SP2_SP2	C[5]	C	N	4:4:3:3:	4:2:1:	4:1:1:	C[5]-4:C[5]-4:C-3:N-3:	C[5]-4:O-2:O-1:	C[5]-4:O-1:O-1:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(COO)(NOO)	C(C[5]C[5]2N)(OC)(O)	N(C[5]C[5]2C)(O)2	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(COO)(NOO){2|C<3>,2|H<1>}	C(C[5]C[5]2N)(OC)(O)	N(C[5]C[5]2C)(O)2	106.0360	0.000	1	106.0360	0.000	1	105.6768	3.405	6	105.6768	3.405	6	110.1319	4.114	64	109.9805	4.185	72
474	930	956	0:SP3_SP2_SP2	C[5]	C	N	4:4:3:3:	4:2:1:	4:3:1:	C[5,5]-4:C[5]-4:C-3:N-3:	C[5]-4:O-2:O-1:	C[5]-4:C-3:H-1:	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[6a]C[5]H)(COO)(NCH)	C(C[5]C[5,5]C[5]N)(OC)(O)	N(C[5]C[5,5]C[5]C)(CC[6a]O)(H)	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[6a]C[5]H)(COO)(NCH){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C(C[5]C[5,5]C[5]N)(OC)(O)	N(C[5]C[5,5]C[5]C)(CC[6a]O)(H)	111.1270	0.000	1	111.1270	0.000	1	111.1270	0.000	1	110.4350	2.079	14	110.1319	4.114	64	109.9805	4.185	72
474	930	956	0:SP3_SP2_SP2	C[5]	C	N	4:4:3:3:	4:2:1:	4:3:1:	C[5]-4:C[5]-4:C-3:N-3:	C[5]-4:N-2:O-1:	C[5]-4:C-3:H-1:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CNO)(NCH)	C(C[5]C[5]2N)(NC)(O)	N(C[5]C[5]2C)(COO)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CNO)(NCH){2|C<3>,2|H<1>}	C(C[5]C[5]2N)(NC)(O)	N(C[5]C[5]2C)(COO)(H)	111.5690	0.000	1	111.5690	0.000	1	111.5690	0.000	1	110.4350	2.079	14	110.1319	4.114	64	109.9805	4.185	72
474	930	956	0:SP3_SP2_SP2	C[5]	C	N	4:4:3:3:	4:2:1:	4:3:1:	C[5]-4:C[5]-4:C-3:N-3:	C[5]-4:O-2:O-1:	C[5]-4:C-3:H-1:	C[5](C[5]C[5,6a]HH)2(COO)(NCH)	C(C[5]C[5]2N)(OC)(O)	N(C[5]C[5]2C)(CCO)(H)	C[5](C[5]C[5,6a]HH)2(COO)(NCH){2|C<3>}	C(C[5]C[5]2N)(OC)(O)	N(C[5]C[5]2C)(CCO)(H)	109.8990	0.000	1	109.8990	0.000	1	110.2828	2.271	12	110.4350	2.079	14	110.1319	4.114	64	109.9805	4.185	72
474	930	956	0:SP3_SP2_SP2	C[5]	C	N	4:4:3:3:	4:2:1:	4:3:1:	C[5]-4:C[5]-4:C-3:N-3:	C[5]-4:O-2:O-1:	C[5]-4:C-3:H-1:	C[5](C[5]C[5,6a]HH)2(COO)(NCH)	C(C[5]C[5]2N)(OC)(O)	N(C[5]C[5]2C)(COO)(H)	C[5](C[5]C[5,6a]HH)2(COO)(NCH){2|C<3>}	C(C[5]C[5]2N)(OC)(O)	N(C[5]C[5]2C)(COO)(H)	108.8810	0.000	1	108.8810	0.000	1	110.2828	2.271	12	110.4350	2.079	14	110.1319	4.114	64	109.9805	4.185	72
474	930	956	0:SP3_SP2_SP2	C[5]	C	N	4:4:3:3:	4:2:1:	4:3:1:	C[5]-4:C[5]-4:C-3:N-3:	C[5]-4:O-2:O-1:	C[5]-4:C-3:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(COO)(NCH)	C(C[5]C[5]2N)(OC)(O)	N(C[5]C[5]2C)(COO)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(COO)(NCH){2|H<1>}	C(C[5]C[5]2N)(OC)(O)	N(C[5]C[5]2C)(COO)(H)	110.4500	0.000	1	110.4500	0.000	1	110.2828	2.271	12	110.4350	2.079	14	110.1319	4.114	64	109.9805	4.185	72
474	930	956	0:SP3_SP2_SP2	C[5]	C	N	4:4:3:3:	4:2:1:	4:3:1:	C[5]-4:C[5]-4:C-3:N-3:	C[5]-4:O-2:O-1:	C[5]-4:C-3:H-1:	C[5](C[5]C[5]HH)2(COO)(NCH)	C(C[5]C[5]2N)(OC)(O)	N(C[5]C[5]2C)(CCO)(H)	C[5](C[5]C[5]HH)2(COO)(NCH){2|H<1>,2|O<2>}	C(C[5]C[5]2N)(OC)(O)	N(C[5]C[5]2C)(CCO)(H)	111.4330	2.794	3	111.0422	5.815	4	110.2828	2.271	12	110.4350	2.079	14	110.1319	4.114	64	109.9805	4.185	72
474	930	956	0:SP3_SP2_SP2	C[5]	C	N	4:4:3:3:	4:2:1:	4:3:1:	C[5]-4:C[5]-4:C-3:N-3:	C[5]-4:O-2:O-1:	C[5]-4:C-3:H-1:	C[5](C[5]C[5]HH)2(COO)(NCH)	C(C[5]C[5]2N)(OC)(O)	N(C[5]C[5]2C)(CCO)(H)	C[5](C[5]C[5]HH)2(COO)(NCH){4|H<1>}	C(C[5]C[5]2N)(OC)(O)	N(C[5]C[5]2C)(CCO)(H)	109.8700	0.000	1	111.0422	5.815	4	110.2828	2.271	12	110.4350	2.079	14	110.1319	4.114	64	109.9805	4.185	72
474	930	956	0:SP3_SP2_SP2	C[5]	C	N	4:4:3:3:	4:2:1:	4:3:1:	C[5]-4:C[5]-4:C-3:N-3:	C[5]-4:O-2:O-1:	C[5]-4:C-3:H-1:	C[5](C[5]C[5]HH)2(COO)(NCH)	C(C[5]C[5]2N)(OC)(O)	N(C[5]C[5]2C)(CC[5]O)(H)	C[5](C[5]C[5]HH)2(COO)(NCH){1|O<2>,3|H<1>}	C(C[5]C[5]2N)(OC)(O)	N(C[5]C[5]2C)(CC[5]O)(H)	109.1090	0.010	2	109.6563	0.899	3	110.2828	2.271	12	110.4350	2.079	14	110.1319	4.114	64	109.9805	4.185	72
474	930	956	0:SP3_SP2_SP2	C[5]	C	N	4:4:3:3:	4:2:1:	4:3:1:	C[5]-4:C[5]-4:C-3:N-3:	C[5]-4:O-2:O-1:	C[5]-4:C-3:H-1:	C[5](C[5]C[5]HH)2(COO)(NCH)	C(C[5]C[5]2N)(OC)(O)	N(C[5]C[5]2C)(CC[5]O)(H)	C[5](C[5]C[5]HH)2(COO)(NCH){2|H<1>,2|N<2>}	C(C[5]C[5]2N)(OC)(O)	N(C[5]C[5]2C)(CC[5]O)(H)	110.7510	0.000	1	109.6563	0.899	3	110.2828	2.271	12	110.4350	2.079	14	110.1319	4.114	64	109.9805	4.185	72
474	930	956	0:SP3_SP2_SP2	C[5]	C	N	4:4:3:3:	4:2:1:	4:3:1:	C[5]-4:C[5]-4:C-3:N-3:	C[5]-4:O-2:O-1:	C[5]-4:C-3:H-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(COO)(NCH)	C(C[5]C[5]2N)(OC)(O)	N(C[5]C[5]2C)(CC[6a]O)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(COO)(NCH){2|H<1>,5|C<3>}	C(C[5]C[5]2N)(OC)(O)	N(C[5]C[5]2C)(CC[6a]O)(H)	110.5130	0.079	2	110.5130	0.006	2	110.2828	2.271	12	110.4350	2.079	14	110.1319	4.114	64	109.9805	4.185	72
474	930	956	0:SP3_SP2_SP2	C[5]	C	N	4:4:3:3:	4:3:1:	4:3:1:	C[5]-4:C[5]-4:C-3:N-3:	C[5]-4:N-3:O-1:	C[5]-4:C-3:H-1:	C[5](C[5]C[5,6a]HH)2(CNO)(NCH)	C(C[5]C[5]2N)(NCH)(O)	N(C[5]C[5]2C)(CC[5]O)(H)	C[5](C[5]C[5,6a]HH)2(CNO)(NCH){2|C<3>}	C(C[5]C[5]2N)(NCH)(O)	N(C[5]C[5]2C)(CC[5]O)(H)	111.6693	0.992	3	111.6693	0.984	3	110.8158	1.505	35	110.8158	1.505	35	110.1319	4.114	64	109.9805	4.185	72
474	930	956	0:SP3_SP2_SP2	C[5]	C	N	4:4:3:3:	4:3:1:	4:3:1:	C[5]-4:C[5]-4:C-3:N-3:	C[5]-4:N-3:O-1:	C[5]-4:C-3:H-1:	C[5](C[5]C[5]HH)2(CNO)(NCH)	C(C[5]C[5]2N)(NCH)(O)	N(C[5]C[5]2C)(CCO)(H)	C[5](C[5]C[5]HH)2(CNO)(NCH){2|H<1>,2|O<2>}	C(C[5]C[5]2N)(NCH)(O)	N(C[5]C[5]2C)(CCO)(H)	108.9445	1.610	4	108.9160	1.948	5	110.8158	1.505	35	110.8158	1.505	35	110.1319	4.114	64	109.9805	4.185	72
474	930	956	0:SP3_SP2_SP2	C[5]	C	N	4:4:3:3:	4:3:1:	4:3:1:	C[5]-4:C[5]-4:C-3:N-3:	C[5]-4:N-3:O-1:	C[5]-4:C-3:H-1:	C[5](C[5]C[5]HH)2(CNO)(NCH)	C(C[5]C[5]2N)(NCH)(O)	N(C[5]C[5]2C)(CCO)(H)	C[5](C[5]C[5]HH)2(CNO)(NCH){4|H<1>}	C(C[5]C[5]2N)(NCH)(O)	N(C[5]C[5]2C)(CCO)(H)	108.8020	0.000	1	108.9160	1.948	5	110.8158	1.505	35	110.8158	1.505	35	110.1319	4.114	64	109.9805	4.185	72
474	930	956	0:SP3_SP2_SP2	C[5]	C	N	4:4:3:3:	4:3:1:	4:3:1:	C[5]-4:C[5]-4:C-3:N-3:	C[5]-4:N-3:O-1:	C[5]-4:C-3:H-1:	C[5](C[5]C[5]HH)2(CNO)(NCH)	C(C[5]C[5]2N)(NC[5]H)(O)	N(C[5]C[5]2C)(CC[5]O)(H)	C[5](C[5]C[5]HH)2(CNO)(NCH){1|O<2>,3|H<1>}	C(C[5]C[5]2N)(NC[5]H)(O)	N(C[5]C[5]2C)(CC[5]O)(H)	111.3017	0.930	7	111.4935	0.809	11	110.8158	1.505	35	110.8158	1.505	35	110.1319	4.114	64	109.9805	4.185	72
474	930	956	0:SP3_SP2_SP2	C[5]	C	N	4:4:3:3:	4:3:1:	4:3:1:	C[5]-4:C[5]-4:C-3:N-3:	C[5]-4:N-3:O-1:	C[5]-4:C-3:H-1:	C[5](C[5]C[5]HH)2(CNO)(NCH)	C(C[5]C[5]2N)(NC[5]H)(O)	N(C[5]C[5]2C)(CC[5]O)(H)	C[5](C[5]C[5]HH)2(CNO)(NCH){2|H<1>,2|N<2>}	C(C[5]C[5]2N)(NC[5]H)(O)	N(C[5]C[5]2C)(CC[5]O)(H)	111.8290	0.855	4	111.4935	0.809	11	110.8158	1.505	35	110.8158	1.505	35	110.1319	4.114	64	109.9805	4.185	72
474	930	956	0:SP3_SP2_SP2	C[5]	C	N	4:4:3:3:	4:3:1:	4:3:1:	C[5]-4:C[5]-4:C-3:N-3:	C[5]-4:N-3:O-1:	C[5]-4:C-3:H-1:	C[5](C[5]C[5]HH)2(CNO)(NCH)	C(C[5]C[5]2N)(NC[5]H)(O)	N(C[5]C[5]2C)(COO)(H)	C[5](C[5]C[5]HH)2(CNO)(NCH){1|O<2>,3|H<1>}	C(C[5]C[5]2N)(NC[5]H)(O)	N(C[5]C[5]2C)(COO)(H)	110.2855	0.422	2	109.8650	0.620	3	110.8158	1.505	35	110.8158	1.505	35	110.1319	4.114	64	109.9805	4.185	72
474	930	956	0:SP3_SP2_SP2	C[5]	C	N	4:4:3:3:	4:3:1:	4:3:1:	C[5]-4:C[5]-4:C-3:N-3:	C[5]-4:N-3:O-1:	C[5]-4:C-3:H-1:	C[5](C[5]C[5]HH)2(CNO)(NCH)	C(C[5]C[5]2N)(NC[5]H)(O)	N(C[5]C[5]2C)(COO)(H)	C[5](C[5]C[5]HH)2(CNO)(NCH){2|H<1>,2|N<2>}	C(C[5]C[5]2N)(NC[5]H)(O)	N(C[5]C[5]2C)(COO)(H)	109.0240	0.000	1	109.8650	0.620	3	110.8158	1.505	35	110.8158	1.505	35	110.1319	4.114	64	109.9805	4.185	72
474	930	956	0:SP3_SP2_SP2	C[5]	C	N	4:4:3:3:	4:3:1:	4:3:1:	C[5]-4:C[5]-4:C-3:N-3:	C[5]-4:N-3:O-1:	C[5]-4:C-3:H-1:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CNO)(NCH)	C(C[5]C[5]2N)(NCH)(O)	N(C[5]C[5]2C)(CCO)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CNO)(NCH){2|C<3>,2|H<1>}	C(C[5]C[5]2N)(NCH)(O)	N(C[5]C[5]2C)(CCO)(H)	110.8198	0.551	9	110.8198	0.303	9	110.8158	1.505	35	110.8158	1.505	35	110.1319	4.114	64	109.9805	4.185	72
474	930	956	0:SP3_SP2_SP2	C[5]	C	N	4:4:3:3:	4:3:1:	4:3:1:	C[5]-4:C[5]-4:C-3:N-3:	C[5]-4:N-3:O-1:	C[5]-4:C-3:H-1:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CNO)(NCH)	C(C[5]C[5]2N)(NCH)(O)	N(C[5]C[5]2C)(COO)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CNO)(NCH){2|C<3>,2|H<1>}	C(C[5]C[5]2N)(NCH)(O)	N(C[5]C[5]2C)(COO)(H)	111.3912	0.339	4	111.3912	0.115	4	110.8158	1.505	35	110.8158	1.505	35	110.1319	4.114	64	109.9805	4.185	72
474	930	956	0:SP3_SP2_SP2	C[5]	C	N	4:4:3:3:	4:4:1:	4:3:1:	C[5]-4:C[5]-4:C-3:N-3:	C[5]-4:C-4:O-1:	C[5]-4:C-3:H-1:	C[5](C[5]C[5]HN)(C[5]O[5]CH)(CCO)(NCH)	C(C[5]C[5]2N)(CH3)(O)	N(C[5]C[5]2C)(CNO)(H)	C[5](C[5]C[5]HN)(C[5]O[5]CH)(CCO)(NCH){1|H<1>,1|O<2>}	C(C[5]C[5]2N)(CH3)(O)	N(C[5]C[5]2C)(CNO)(H)	111.9460	0.000	1	111.9460	0.000	1	111.9460	0.000	1	111.9460	0.000	1	110.1319	4.114	64	109.9805	4.185	72
474	930	956	0:SP3_SP2_SP3	C[5,6]	C	N	4:4:3:3:	4:2:1:	4:3:2:	C[5,5,6]-4:C[5,6]-4:N-3:C-3:	C[5,6]-4:O-2:O-1:	C[5,6]-4:C[6a]-3:O-2:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(NC[6a]O)(COO)	C(C[5,6]C[5,5,6]C[5,6]N)(OC)(O)	N(C[5,6]C[5,5,6]C[5,6]C)(C[6a]C[6a]2)(OH)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(NC[6a]O)(COO){1|C<3>,4|H<1>}	C(C[5,6]C[5,5,6]C[5,6]N)(OC)(O)	N(C[5,6]C[5,5,6]C[5,6]C)(C[6a]C[6a]2)(OH)	109.7580	0.000	1	109.7580	0.000	1	109.7580	0.000	1	109.7580	0.000	1	109.7580	0.000	1	107.6116	44.452	10
474	930	956	0:SP3_SP2_SP3	C[5]	C	N	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[5,6a]-3:N-3:C-3:	C[5]-3:C[5]-4:C-3:	C[5]-4:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])2(NC[6a]H)(CC[5]C)	C(C[5]C[5,6a]C[5])(C[5]C[5,6a]2N)(CC[6a]O)	N(C[5]C[5,6a]2C)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(NC[6a]H)(CC[5]C){2|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5])(C[5]C[5,6a]2N)(CC[6a]O)	N(C[5]C[5,6a]2C)(C[6a]C[6a]2)(H)	111.0700	0.000	1	111.0700	0.000	1	111.0700	0.000	1	111.0700	0.000	1	107.3731	49.368	9	107.6116	44.452	10
474	930	956	0:SP3_SP2_SP3	C[5]	C	N	3:3:3:3:	4:4:2:	4:2:1:	C[5]-3:C[5]-3:C-3:N-3:	C[5]-4:C-4:N-2:	C[5]-4:O-2:H-1:	C[5](C[5]N[5]C)(C[5]N[5]O)(CCN)(NHO)	C(C[5]C[5]2N)(CH3)(NO)	N(C[5]C[5]2C)(OH)(H)	C[5](C[5]N[5]C)(C[5]N[5]O)(CCN)(NHO){1|C<3>}	C(C[5]C[5]2N)(CH3)(NO)	N(C[5]C[5]2C)(OH)(H)	109.9030	0.000	1	109.9030	0.000	1	109.9030	0.000	1	109.9030	0.000	1	107.3731	49.368	9	107.6116	44.452	10
474	930	956	0:SP3_SP2_SP3	C[5]	C	N	3:3:3:3:	4:4:2:	4:3:2:	C[5]-3:C[5]-3:C-3:N-3:	C[5]-4:C-4:N-2:	C[5]-4:C-3:O-2:	C[5](C[5]N[5]C)(C[5]N[5]O)(CCN)(NCO)	C(C[5]C[5]2N)(CH3)(NO)	N(C[5]C[5]2C)(CCO)(OH)	C[5](C[5]N[5]C)(C[5]N[5]O)(CCN)(NCO){1|C<4>}	C(C[5]C[5]2N)(CH3)(NO)	N(C[5]C[5]2C)(CCO)(OH)	109.9250	0.000	1	109.9250	0.000	1	109.9250	0.000	1	109.9250	0.000	1	107.3731	49.368	9	107.6116	44.452	10
474	930	956	0:SP3_SP2_SP3	C[5]	C	N	4:3:3:3:	4:3:1:	4:3:3:	C[5]-4:C[5]-3:C-3:N-3:	C[5]-4:C-3:H-1:	C[5]-4:C-3:N-3:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCH)(NCN)	C(C[5]C[5]2N)(CC[6a]H)(H)	N(C[5]C[5]2C)(COO)(NCH)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCH)(NCN){4|H<1>}	C(C[5]C[5]2N)(CC[6a]H)(H)	N(C[5]C[5]2C)(COO)(NCH)	108.6340	0.000	1	108.6340	0.000	1	108.6340	0.000	1	108.6340	0.000	1	107.3731	49.368	9	107.6116	44.452	10
474	930	956	0:SP3_SP2_SP3	C[5]	C	N	4:3:3:3:	4:4:1:	3:4:1:	C[5]-4:C[5]-3:N-3:C-3:	C[5]-4:C-4:O-1:	N[5a]-3:C[5]-4:H-1:	C[5](C[5]O[5]CO)(C[5]C[5]C)(NN[5a]H)(CCO)	C(C[5]C[5]2N)(CH3)(O)	N(N[5a]C[5a]N[5a])(C[5]C[5]2C)(H)	C[5](C[5]O[5]CO)(C[5]C[5]C)(NN[5a]H)(CCO){1|C<4>}	C(C[5]C[5]2N)(CH3)(O)	N(N[5a]C[5a]N[5a])(C[5]C[5]2C)(H)	104.9430	0.000	1	104.9430	0.000	1	104.9430	0.000	1	104.9430	0.000	1	107.3731	49.368	9	107.6116	44.452	10
474	930	956	0:SP3_SP2_SP3	C[5]	C	N	4:4:3:3:	4:3:1:	4:1:1:	C[5]-4:C[5]-4:C-3:N-3:	C[5]-4:N-3:O-1:	C[5]-4:H-1:H-1:	C[5](C[5]C[5]HH)2(CNO)(NHH)	C(C[5]C[5]2N)(NHH)(O)	N(C[5]C[5]2C)(H)2	C[5](C[5]C[5]HH)2(CNO)(NHH){4|H<1>}	C(C[5]C[5]2N)(NHH)(O)	N(C[5]C[5]2C)(H)2	101.6436	16.949	2	101.6436	287.252	2	101.6436	287.252	2	101.6436	287.252	2	107.3731	49.368	9	107.6116	44.452	10
474	930	956	0:SP3_SP2_SP3	C[5]	C	N	4:4:3:3:	4:3:1:	4:3:1:	C[5]-4:C[5]-4:C-3:N-3:	C[5]-4:N-3:O-1:	C[5]-4:C-3:H-1:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CNO)(NCH)	C(C[5]C[5]2N)(NCH)(O)	N(C[5]C[5]2C)(COO)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CNO)(NCH){2|C<3>,2|H<1>}	C(C[5]C[5]2N)(NCH)(O)	N(C[5]C[5]2C)(COO)(H)	109.2980	0.744	2	109.2980	0.553	2	109.2980	0.553	2	109.2980	0.553	2	107.3731	49.368	9	107.6116	44.452	10
474	930	959	0:SP3_SP2_SP3	C[5]	C	S[5]	4:4:3:1:	4:2:1:	4:4:1:1:	C[5]-4:S[5]-4:C-3:F-1:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-4:O-1:O-1:	C[5](C[5]C[6a]C[5]H)(S[5]C[5]OO)(COO)(F)	C(C[5]C[5]S[5]F)(OC)(O)	S[5](C[5]C[5]CF)(C[5]C[5]HH)(O)2	C[5](C[5]C[6a]C[5]H)(S[5]C[5]OO)(COO)(F){2|C<3>,4|H<1>}	C(C[5]C[5]S[5]F)(OC)(O)	S[5](C[5]C[5]CF)(C[5]C[5]HH)(O)2{1|C<3>,3|H<1>}	107.4040	0.000	1	107.4040	0.000	1	107.4040	0.000	1	109.1617	2.390	3	109.1617	2.390	3	109.1617	2.390	3
474	930	959	0:SP3_SP2_SP3	C[5]	C	S[5]	4:4:3:1:	4:2:1:	4:4:1:1:	C[5]-4:S[5]-4:C-3:H-1:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-4:O-1:O-1:	C[5](C[5]C[6a]C[5]H)(S[5]C[5]OO)(COO)(H)	C(C[5]C[5]S[5]H)(OC)(O)	S[5](C[5]C[5]CH)(C[5]C[5]HH)(O)2	C[5](C[5]C[6a]C[5]H)(S[5]C[5]OO)(COO)(H){2|C<3>,4|H<1>}	C(C[5]C[5]S[5]H)(OC)(O)	S[5](C[5]C[5]CH)(C[5]C[5]HH)(O)2{1|C<3>,3|H<1>}	110.0405	0.381	2	110.0405	0.145	2	110.0405	0.145	2	109.1617	2.390	3	109.1617	2.390	3	109.1617	2.390	3
474	930	960	0:SP3_SP2_SP2	C[5,5,6]	C	N[5,5]	5:2:3:3:	4:1:1:	4:4:	C[3,5,6]-5:N[5,5]-2:C[5,6]-3:C-3:	C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[5,6]H[3]2Re)(N[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CHH)	C(C[5,5,6]C[3,5,6]C[5,6]N[5,5])(H)2	N[5,5](C[5,5,6]C[3,5,6]C[5,6]C)(C[5,5,6]C[5,6]2C)	C[5,5,6](C[3,5,6]C[5,6]H[3]2Re)(N[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CHH){1|C<3>,1|C<4>,2|H<1>}	C(C[5,5,6]C[3,5,6]C[5,6]N[5,5])(H)2	N[5,5](C[5,5,6]C[3,5,6]C[5,6]C)(C[5,5,6]C[5,6]2C){1|Re<7>,2|C<3>,2|H<1>,2|H<2>}	112.0970	0.000	1	112.0970	0.000	1	112.0970	0.000	1	112.0970	0.000	1	112.0970	0.000	1	108.4481	12.039	101
474	930	960	0:SP3_SP2_SP2	C[5,5]	C	N[5]	4:4:2:3:	4:2:1:	4:2:	C[5,5,6]-4:C[5]-4:N[5]-2:C-3:	C[5,5]-4:O-2:O-1:	C[5,5]-4:N[5]-2:	C[5,5](C[5,5,6]C[5,6]2H)(C[5]N[5]HH)(N[5]N[5])(COO)	C(C[5,5]C[5,5,6]C[5]N[5])(OC)(O)	N[5](C[5,5]C[5,5,6]C[5]C)(N[5]C[5,6])	C[5,5](C[5,5,6]C[5,6]2H)(C[5]N[5]HH)(N[5]N[5])(COO){1|C<3>,2|C<4>,3|H<1>}	C(C[5,5]C[5,5,6]C[5]N[5])(OC)(O)	N[5](C[5,5]C[5,5,6]C[5]C)(N[5]C[5,6]){1|C<3>,1|N<4>,2|C<4>,3|H<1>}	108.9793	3.266	4	108.9793	10.669	4	108.9793	10.669	4	109.3678	8.757	5	109.8317	8.297	6	108.4481	12.039	101
474	930	960	0:SP3_SP2_SP2	C[5,5]	C	N[5]	4:4:2:3:	4:2:1:	4:2:	C[5,5]-4:C[5]-4:N[5]-2:C-3:	C[5,5]-4:O-2:O-1:	C[5,5]-4:N[5]-2:	C[5,5](C[5,5]C[5]2C)(C[5]N[5]CH)(N[5]N[5])(COO)	C(C[5,5]C[5,5]C[5]N[5])(OC)(O)	N[5](C[5,5]C[5,5]C[5]C)(N[5]C[5])	C[5,5](C[5,5]C[5]2C)(C[5]N[5]CH)(N[5]N[5])(COO){1|C<4>,4|H<1>}	C(C[5,5]C[5,5]C[5]N[5])(OC)(O)	N[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]){1|N<3>,3|C<4>,3|H<1>}	110.9220	0.000	1	110.9220	0.000	1	110.9220	0.000	1	109.3678	8.757	5	109.8317	8.297	6	108.4481	12.039	101
474	930	960	0:SP3_SP2_SP2	C[5,5]	C	N[5]	4:4:2:3:	4:2:1:	4:3:	C[5,5]-4:C[5]-4:N[5]-2:C-3:	C[5,5]-4:O-2:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]CH)(N[5]C[5])(COO)	C(C[5,5]C[5,5]C[5]N[5])(OC)(O)	N[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]H)	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]CH)(N[5]C[5])(COO){1|H<1>,2|C<3>}	C(C[5,5]C[5,5]C[5]N[5])(OC)(O)	N[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]H){1|C<4>,2|C<3>,2|H<1>}	112.1510	0.000	1	112.1510	0.000	1	112.1510	0.000	1	112.1510	0.000	1	109.8317	8.297	6	108.4481	12.039	101
474	930	960	0:SP3_SP2_SP2	C[5,6]	C	N[5]	4:4:2:3:	4:2:1:	4:2:	C[5,6]-4:C[6]-4:N[5]-2:C-3:	C[5,6]-4:O-2:O-1:	C[5,6]-4:N[5]-2:	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6]CH)(N[5]N[5])(COO)	C(C[5,6]C[5,6]C[6]N[5])(OC)(O)	N[5](C[5,6]C[5,6]C[6]C)(N[5]C[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6]CH)(N[5]N[5])(COO){2|C<4>,4|H<1>}	C(C[5,6]C[5,6]C[6]N[5])(OC)(O)	N[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]){1|N<3>,2|C<4>,4|H<1>}	105.3460	0.000	1	105.3460	0.000	1	105.3460	0.000	1	105.3460	0.000	1	108.8067	17.415	3	108.4481	12.039	101
474	930	960	0:SP3_SP2_SP2	C[5,6]	C	N[5]	4:4:2:3:	4:2:1:	4:3:	C[5,6]-4:C[6]-4:N[5]-2:C-3:	C[5,6]-4:O-2:O-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(N[5]C[5])(COO)	C(C[5,6]C[5,6]C[6]N[5])(OC)(O)	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(N[5]C[5])(COO){1|C<2>,3|H<1>,4|C<3>}	C(C[5,6]C[5,6]C[6]N[5])(OC)(O)	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	113.4410	0.000	1	113.4410	0.000	1	113.4410	0.000	1	110.5370	16.866	2	108.8067	17.415	3	108.4481	12.039	101
474	930	960	0:SP3_SP2_SP2	C[5,6]	C	N[5]	4:4:2:3:	4:2:1:	4:3:	C[6]-4:C[5,6]-4:N[5]-2:C-3:	C[5,6]-4:O-2:O-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]O[5]O[6]C)(N[5]C[5])(COO)	C(C[5,6]C[5,6]C[6]N[5])(OC)(O)	N[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]H)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]O[5]O[6]C)(N[5]C[5])(COO){1|H<1>,4|C<3>}	C(C[5,6]C[5,6]C[6]N[5])(OC)(O)	N[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	107.6330	0.000	1	107.6330	0.000	1	107.6330	0.000	1	110.5370	16.866	2	108.8067	17.415	3	108.4481	12.039	101
474	930	960	0:SP3_SP2_SP2	C[5]	C	N[5]	3:2:3:3:	4:2:1:	4:4:	C[5,6a]-3:N[5]-2:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:S[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(CCN)(COO)	C(C[5]C[5,6a]N[5]C)(OC)(O)	N[5](C[5]C[5,6a]CC)(S[5]C[5,6a]OO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(CCN)(COO){1|H<1>,2|C<3>,2|O<1>}	C(C[5]C[5,6a]N[5]C)(OC)(O)	N[5](C[5]C[5,6a]CC)(S[5]C[5,6a]OO){2|C<3>}	108.2250	0.000	1	108.2250	0.000	1	108.2250	0.000	1	108.2250	0.000	1	108.3049	12.228	91	108.4481	12.039	101
474	930	960	0:SP3_SP2_SP2	C[5]	C	N[5]	3:2:3:3:	4:3:2:	4:4:	C[5,6a]-3:N[5]-2:C-3:C-3:	C[5]-4:C-3:N-2:	C[5]-4:S[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(CCN)(COO)	C(C[5]C[5,6a]N[5]C)(COO)(NN)	N[5](C[5]C[5,6a]CC)(S[5]C[5,6a]OO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(CCN)(COO){1|H<1>,2|C<3>,2|O<1>}	C(C[5]C[5,6a]N[5]C)(COO)(NN)	N[5](C[5]C[5,6a]CC)(S[5]C[5,6a]OO){2|C<3>}	109.4180	0.000	1	109.4180	0.000	1	109.4180	0.000	1	109.4180	0.000	1	108.3049	12.228	91	108.4481	12.039	101
474	930	960	0:SP3_SP2_SP2	C[5]	C	N[5]	3:2:4:3:	4:2:1:	3:4:	C[5]-3:N[5]-2:C-4:C-3:	C[5]-4:O-2:O-1:	C[5]-3:C[5]-4:	C[5](C[5]O[5]O)(N[5]C[5])(CH3)(COO)	C(C[5]C[5]N[5]C)(OC)(O)	N[5](C[5]C[6a]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]O)(N[5]C[5])(CH3)(COO){1|C<3>}	C(C[5]C[5]N[5]C)(OC)(O)	N[5](C[5]C[6a]O[5])(C[5]C[5]CC){1|O<1>,2|C<3>}	109.8565	0.098	2	109.8565	0.010	2	109.8565	0.010	2	108.1323	8.923	3	108.3049	12.228	91	108.4481	12.039	101
474	930	960	0:SP3_SP2_SP2	C[5]	C	N[5]	3:2:4:3:	4:2:1:	3:4:	N[5]-3:N[5]-2:C-4:C-3:	C[5]-4:O-2:O-1:	C[5]-3:C[5]-4:	C[5](N[5]N[5]C)(N[5]C[5])(CCCH)(COO)	C(C[5]N[5]2C)(OH)(O)	N[5](C[5]C[6a]N[5])(C[5]N[5]CC)	C[5](N[5]N[5]C)(N[5]C[5])(CCCH)(COO){2|C<3>}	C(C[5]N[5]2C)(OH)(O)	N[5](C[5]C[6a]N[5])(C[5]N[5]CC){4|C<3>}	104.6840	0.000	1	104.6840	0.000	1	104.6840	0.000	1	108.1323	8.923	3	108.3049	12.228	91	108.4481	12.039	101
474	930	960	0:SP3_SP2_SP2	C[5]	C	N[5]	3:3:2:3:	4:2:1:	4:3:	C[6a]-3:N[5]-3:N[5]-2:C-3:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]C)(N[5]C[5])(COO)	C(C[5]C[6a]N[5]2)(OC)(O)	N[5](C[5]C[6a]N[5]C)(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(N[5]N[5]C)(N[5]C[5])(COO){2|H<1>,4|C<3>}	C(C[5]C[6a]N[5]2)(OC)(O)	N[5](C[5]C[6a]N[5]C)(C[5]C[6a]N[5]){6|C<3>}	107.3220	0.000	1	107.3220	0.000	1	105.7637	2.933	3	105.7637	2.933	3	108.3049	12.228	91	108.4481	12.039	101
474	930	960	0:SP3_SP2_SP2	C[5]	C	N[5]	3:3:2:3:	4:2:1:	4:3:	C[6a]-3:N[5]-3:N[5]-2:C-3:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]C)(N[5]C[5])(COO)	C(C[5]C[6a]N[5]2)(OC)(O)	N[5](C[5]C[6a]N[5]C)(C[5]N[5]H)	C[5](C[6a]C[6a]2)(N[5]N[5]C)(N[5]C[5])(COO){3|C<3>,3|H<1>}	C(C[5]C[6a]N[5]2)(OC)(O)	N[5](C[5]C[6a]N[5]C)(C[5]N[5]H){4|C<3>}	103.9300	0.000	1	103.9300	0.000	1	105.7637	2.933	3	105.7637	2.933	3	108.3049	12.228	91	108.4481	12.039	101
474	930	960	0:SP3_SP2_SP2	C[5]	C	N[5]	3:3:2:3:	4:2:1:	4:3:	C[6a]-3:N[5]-3:N[5]-2:C-3:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]C)(N[5]C[5])(COO)	C(C[5]C[6a]N[5]2)(OC)(O)	N[5](C[5]C[6a]N[5]C)(C[5]N[5]S)	C[5](C[6a]C[6a]2)(N[5]N[5]C)(N[5]C[5])(COO){1|Cl<1>,1|H<1>,1|S<2>,3|C<3>}	C(C[5]C[6a]N[5]2)(OC)(O)	N[5](C[5]C[6a]N[5]C)(C[5]N[5]S){4|C<3>}	106.0390	0.000	1	106.0390	0.000	1	105.7637	2.933	3	105.7637	2.933	3	108.3049	12.228	91	108.4481	12.039	101
474	930	960	0:SP3_SP2_SP2	C[5]	C	N[5]	3:4:2:3:	4:2:1:	4:2:	C[5]-3:C-4:N[5]-2:C-3:	C[5]-4:O-2:O-1:	C[5]-4:N[5]-2:	C[5](C[5]C[5]C)(CC[6a]HH)(N[5]N[5])(COO)	C(C[5]C[5]N[5]C)(OC)(O)	N[5](C[5]C[5]CC)(N[5]C[5])	C[5](C[5]C[5]C)(CC[6a]HH)(N[5]N[5])(COO){2|H<1>}	C(C[5]C[5]N[5]C)(OC)(O)	N[5](C[5]C[5]CC)(N[5]C[5]){1|C<3>,2|H<1>}	107.8430	0.000	1	107.8430	0.000	1	107.8430	0.000	1	107.8430	0.000	1	108.3049	12.228	91	108.4481	12.039	101
474	930	960	0:SP3_SP2_SP2	C[5]	C	N[5]	3:4:2:3:	4:2:1:	4:3:	C[5]-3:C-4:N[5]-2:C-3:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(CC[6a]HH)(N[5]C[5])(COO)	C(C[5]C[5]N[5]C)(OC)(O)	N[5](C[5]C[5]CC)(C[5]C[5]H)	C[5](C[5]C[5]C)(CC[6a]HH)(N[5]C[5])(COO){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]N[5]C)(OC)(O)	N[5](C[5]C[5]CC)(C[5]C[5]H){1|C<4>,2|C<3>}	111.0480	0.000	1	111.0480	0.000	1	111.0480	0.000	1	108.7445	10.612	2	108.3049	12.228	91	108.4481	12.039	101
474	930	960	0:SP3_SP2_SP2	C[5]	C	N[5]	3:4:2:3:	4:2:1:	4:3:	C[6a]-3:C[5]-4:N[5]-2:C-3:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]C[5])(COO)	C(C[5]C[6a]C[5]N[5])(OC)(O)	N[5](C[5]C[6a]C[5]C)(C[5]N[5]H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]C[5])(COO){1|C<4>,2|C<3>,3|H<1>}	C(C[5]C[6a]C[5]N[5])(OC)(O)	N[5](C[5]C[6a]C[5]C)(C[5]N[5]H){1|H<1>,2|C<3>,2|C<4>}	106.4410	0.000	1	106.4410	0.000	1	106.4410	0.000	1	108.7445	10.612	2	108.3049	12.228	91	108.4481	12.039	101
474	930	960	0:SP3_SP2_SP2	C[5]	C	N[5]	4:2:3:1:	4:2:1:	3:4:	C[5]-4:N[5]-2:C-3:H-1:	C[5]-4:O-2:O-1:	C[5]-3:C[5]-4:	C[5](C[5]C[5,5]CH)(N[5]C[5])(COO)(H)	C(C[5]C[5]N[5]H)(OC)(O)	N[5](C[5]C[5,5]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,5]CH)(N[5]C[5])(COO)(H){3|C<3>}	C(C[5]C[5]N[5]H)(OC)(O)	N[5](C[5]C[5,5]C[6a])(C[5]C[5]CH){1|H<1>,5|C<3>}	108.2450	0.000	1	108.2450	0.000	1	108.1037	4.258	6	108.1037	4.258	6	108.3049	12.228	91	108.4481	12.039	101
474	930	960	0:SP3_SP2_SP2	C[5]	C	N[5]	4:2:3:1:	4:2:1:	3:4:	C[5]-4:N[5]-2:C-3:H-1:	C[5]-4:O-2:O-1:	C[5]-3:C[5]-4:	C[5](C[5]C[5]CC)(N[5]C[5])(COO)(H)	C(C[5]C[5]N[5]H)(OC)(O)	N[5](C[5]C[6a]C[5])(C[5]C[5]CH)	C[5](C[5]C[5]CC)(N[5]C[5])(COO)(H){1|C<3>,2|H<1>}	C(C[5]C[5]N[5]H)(OC)(O)	N[5](C[5]C[6a]C[5])(C[5]C[5]CH){2|C<3>,2|C<4>,2|H<1>}	109.9230	0.000	1	109.9230	0.000	1	108.1037	4.258	6	108.1037	4.258	6	108.3049	12.228	91	108.4481	12.039	101
474	930	960	0:SP3_SP2_SP2	C[5]	C	N[5]	4:2:3:1:	4:2:1:	3:4:	C[5]-4:N[5]-2:C-3:H-1:	C[5]-4:O-2:O-1:	C[5]-3:C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5])(COO)(H)	C(C[5]C[5]N[5]H)(OC)(O)	N[5](C[5]C[6a]C[5])(C[5]C[5]CH)	C[5](C[5]C[5]CH)(N[5]C[5])(COO)(H){1|C<3>,2|H<1>}	C(C[5]C[5]N[5]H)(OC)(O)	N[5](C[5]C[6a]C[5])(C[5]C[5]CH){1|C<4>,2|C<3>,3|H<1>}	106.9970	0.000	1	106.9970	0.000	1	108.1037	4.258	6	108.1037	4.258	6	108.3049	12.228	91	108.4481	12.039	101
474	930	960	0:SP3_SP2_SP2	C[5]	C	N[5]	4:2:3:1:	4:2:1:	3:4:	C[5]-4:N[5]-2:C-3:H-1:	C[5]-4:O-2:O-1:	C[5]-3:C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5])(COO)(H)	C(C[5]C[5]N[5]H)(OC)(O)	N[5](C[5]C[6a]C[5])(C[5]C[5]CH)	C[5](C[5]C[6a]C[5]H)(N[5]C[5])(COO)(H){2|H<1>,3|C<3>}	C(C[5]C[5]N[5]H)(OC)(O)	N[5](C[5]C[6a]C[5])(C[5]C[5]CH){3|C<3>,3|H<1>}	108.4345	3.771	2	108.4345	14.220	2	108.1037	4.258	6	108.1037	4.258	6	108.3049	12.228	91	108.4481	12.039	101
474	930	960	0:SP3_SP2_SP2	C[5]	C	N[5]	4:2:3:1:	4:2:1:	3:4:	C[5]-4:N[5]-2:C-3:H-1:	C[5]-4:O-2:O-1:	C[5]-3:C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5])(COO)(H)	C(C[5]C[5]N[5]H)(OH)(O)	N[5](C[5]C[5a]S[5])(C[5]C[5]CH)	C[5](C[5]S[5]HH)(N[5]C[5])(COO)(H){1|C<3>}	C(C[5]C[5]N[5]H)(OH)(O)	N[5](C[5]C[5a]S[5])(C[5]C[5]CH){1|N<2>,1|S<2>,2|H<1>}	106.5880	0.000	1	106.5880	0.000	1	108.1037	4.258	6	108.1037	4.258	6	108.3049	12.228	91	108.4481	12.039	101
474	930	960	0:SP3_SP2_SP2	C[5]	C	N[5]	4:2:3:1:	4:2:1:	4:3:	C[5,5]-4:N[5]-2:C-3:H-1:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5])(COO)(H)	C(C[5]C[5,5]N[5]H)(OC)(O)	N[5](C[5]C[5,5]CH)(C[5]O[5]C)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5])(COO)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C(C[5]C[5,5]N[5]H)(OC)(O)	N[5](C[5]C[5,5]CH)(C[5]O[5]C){2|C<3>}	114.1140	0.000	1	114.1140	0.000	1	114.1140	0.000	1	109.3177	11.493	7	108.3049	12.228	91	108.4481	12.039	101
474	930	960	0:SP3_SP2_SP2	C[5]	C	N[5]	4:2:3:1:	4:2:1:	4:3:	C[5,6]-4:N[5]-2:C-3:H-1:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-3:	C[5](C[5,6]C[6,6a]N[5,6]H)(N[5]C[5])(COO)(H)	C(C[5]C[5,6]N[5]H)(OC)(O)	N[5](C[5]C[5,6]CH)(C[5]N[5,6]H)	C[5](C[5,6]C[6,6a]N[5,6]H)(N[5]C[5])(COO)(H){1|H<1>,1|S<4>,2|C<3>}	C(C[5]C[5,6]N[5]H)(OC)(O)	N[5](C[5]C[5,6]CH)(C[5]N[5,6]H){1|C<3>,1|H<1>,1|S<4>}	112.0030	0.000	1	112.0030	0.000	1	112.0030	0.000	1	109.3177	11.493	7	108.3049	12.228	91	108.4481	12.039	101
474	930	960	0:SP3_SP2_SP2	C[5]	C	N[5]	4:2:3:1:	4:2:1:	4:3:	C[5]-4:N[5]-2:C-3:H-1:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(N[5]C[5])(COO)(H)	C(C[5]C[5]N[5]H)(OC[6a])(O)	N[5](C[5]C[5]CH)(C[5]C[5]H)	C[5](C[5]C[5]HH)(N[5]C[5])(COO)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[5]C[5]N[5]H)(OC[6a])(O)	N[5](C[5]C[5]CH)(C[5]C[5]H){1|C<3>,1|N<3>,2|H<1>}	108.6390	0.000	1	108.6390	0.000	1	107.8214	6.887	5	109.3177	11.493	7	108.3049	12.228	91	108.4481	12.039	101
474	930	960	0:SP3_SP2_SP2	C[5]	C	N[5]	4:2:3:1:	4:2:1:	4:3:	C[5]-4:N[5]-2:C-3:H-1:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5a]C[5]H)(N[5]C[5])(COO)(H)	C(C[5]C[5]N[5]H)(OC)(O)	N[5](C[5]C[5]CH)(C[5]C[5]H)	C[5](C[5]C[5a]C[5]H)(N[5]C[5])(COO)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[5]C[5]N[5]H)(OC)(O)	N[5](C[5]C[5]CH)(C[5]C[5]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	109.8880	0.000	1	109.8880	0.000	1	107.8214	6.887	5	109.3177	11.493	7	108.3049	12.228	91	108.4481	12.039	101
474	930	960	0:SP3_SP2_SP2	C[5]	C	N[5]	4:2:3:1:	4:2:1:	4:3:	C[5]-4:N[5]-2:C-3:H-1:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]H)(N[5]C[5])(COO)(H)	C(C[5]C[5]N[5]H)(OC)(O)	N[5](C[5]C[5]CH)(C[5]N[5]H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5])(COO)(H){1|H<1>,1|P<4>,2|C<3>}	C(C[5]C[5]N[5]H)(OC)(O)	N[5](C[5]C[5]CH)(C[5]N[5]H){1|C<3>,1|H<1>,1|P<4>}	110.3720	0.000	1	110.3720	0.000	1	107.8214	6.887	5	109.3177	11.493	7	108.3049	12.228	91	108.4481	12.039	101
474	930	960	0:SP3_SP2_SP2	C[5]	C	N[5]	4:2:3:1:	4:2:1:	4:3:	C[5]-4:N[5]-2:C-3:H-1:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]O[5]C)(N[5]C[5])(COO)(H)	C(C[5]C[5]N[5]H)(OC)(O)	N[5](C[5]C[5]CH)(C[5]O[5]H)	C[5](C[5]C[6a]O[5]C)(N[5]C[5])(COO)(H){1|H<1>,2|C<3>}	C(C[5]C[5]N[5]H)(OC)(O)	N[5](C[5]C[5]CH)(C[5]O[5]H){1|C<3>,1|C<4>}	104.2870	0.000	1	104.2870	0.000	1	107.8214	6.887	5	109.3177	11.493	7	108.3049	12.228	91	108.4481	12.039	101
474	930	960	0:SP3_SP2_SP2	C[5]	C	N[5]	4:2:3:1:	4:2:1:	4:3:	C[5]-4:N[5]-2:C-3:H-1:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CO)(N[5]C[5])(COO)(H)	C(C[5]C[5]N[5]H)(OC)(O)	N[5](C[5]C[5]CH)(C[5]N[5]H)	C[5](C[5]N[5]CO)(N[5]C[5])(COO)(H){1|H<1>,1|S<4>}	C(C[5]C[5]N[5]H)(OC)(O)	N[5](C[5]C[5]CH)(C[5]N[5]H){1|C<4>,1|O<2>,1|S<4>}	105.9210	0.000	1	105.9210	0.000	1	107.8214	6.887	5	109.3177	11.493	7	108.3049	12.228	91	108.4481	12.039	101
474	930	960	0:SP3_SP2_SP2	C[5]	C	N[5]	4:2:3:1:	4:2:1:	4:4:	C[5]-4:N[5]-2:C-3:H-1:	C[5]-4:O-2:O-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5])(COO)(H)	C(C[5]C[5]N[5]H)(OC)(O)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]HH)(N[5]C[5,5])(COO)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C(C[5]C[5]N[5]H)(OC)(O)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH){1|O<2>,2|H<1>,3|C<3>}	112.4860	0.000	1	112.4860	0.000	1	112.4860	0.000	1	111.2354	2.341	5	108.3049	12.228	91	108.4481	12.039	101
474	930	960	0:SP3_SP2_SP2	C[5]	C	N[5]	4:2:3:1:	4:2:1:	4:4:	C[5]-4:N[5]-2:C-3:H-1:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-4:	C[5](C[5]B[6a]C[5]H)(N[5]C[5])(COO)(H)	C(C[5]C[5]N[5]H)(OC)(O)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]B[6a]C[5]H)(N[5]C[5])(COO)(H){2|C<3>,2|H<1>,2|N<3>}	C(C[5]C[5]N[5]H)(OC)(O)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){1|B<3>,2|H<1>,3|C<3>}	109.5860	0.000	1	109.5860	0.000	1	111.3925	6.527	2	111.2354	2.341	5	108.3049	12.228	91	108.4481	12.039	101
474	930	960	0:SP3_SP2_SP2	C[5]	C	N[5]	4:2:3:1:	4:2:1:	4:4:	C[5]-4:N[5]-2:C-3:H-1:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5])(COO)(H)	C(C[5]C[5]N[5]H)(OC)(O)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[6a]C[5]H)(N[5]C[5])(COO)(H){2|H<1>,4|C<3>}	C(C[5]C[5]N[5]H)(OC)(O)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){2|H<1>,4|C<3>}	113.1990	0.000	1	113.1990	0.000	1	111.3925	6.527	2	111.2354	2.341	5	108.3049	12.228	91	108.4481	12.039	101
474	930	960	0:SP3_SP2_SP2	C[5]	C	N[5]	4:2:3:1:	4:2:1:	4:4:	Ge[5]-4:N[5]-2:C-3:H-1:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-4:	C[5](Ge[5]C[5,5]C[6a]2)(N[5]C[5])(COO)(H)	C(C[5]Ge[5]N[5]H)(OC)(O)	N[5](C[5]C[5,5]C[6a]H)(C[5]Ge[5]CH)	C[5](Ge[5]C[5,5]C[6a]2)(N[5]C[5])(COO)(H){1|H<1>,7|C<3>}	C(C[5]Ge[5]N[5]H)(OC)(O)	N[5](C[5]C[5,5]C[6a]H)(C[5]Ge[5]CH){6|C<3>}	110.4530	0.000	2	110.4530	0.000	2	110.4530	0.000	2	111.2354	2.341	5	108.3049	12.228	91	108.4481	12.039	101
474	930	960	0:SP3_SP2_SP2	C[5]	C	N[5]	4:2:3:1:	4:3:1:	3:4:	C[5]-4:N[5]-2:C-3:H-1:	C[5]-4:C-3:H-1:	C[5]-3:C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5])(CCH)(H)	C(C[5]C[5]N[5]H)(CC[6a]H)(H)	N[5](C[5]C[6a]C[5])(C[5]C[5]CH)	C[5](C[5]C[5]HH)(N[5]C[5])(CCH)(H){1|C<3>,2|H<1>}	C(C[5]C[5]N[5]H)(CC[6a]H)(H)	N[5](C[5]C[6a]C[5])(C[5]C[5]CH){2|C<3>,4|H<1>}	114.2420	0.000	1	114.2420	0.000	1	114.2420	0.000	1	110.4170	29.261	2	108.3049	12.228	91	108.4481	12.039	101
474	930	960	0:SP3_SP2_SP2	C[5]	C	N[5]	4:2:3:1:	4:3:1:	3:4:	C[5]-4:N[5]-2:C-3:H-1:	C[5]-4:N-3:O-1:	C[5]-3:C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5])(CNO)(H)	C(C[5]C[5]N[5]H)(NHS)(O)	N[5](C[5]C[6a]O[5])(C[5]C[5]CH)	C[5](C[5]O[5]HH)(N[5]C[5])(CNO)(H){1|C<3>}	C(C[5]C[5]N[5]H)(NHS)(O)	N[5](C[5]C[6a]O[5])(C[5]C[5]CH){2|C<3>,2|H<1>}	106.5920	0.000	1	106.5920	0.000	1	106.5920	0.000	1	110.4170	29.261	2	108.3049	12.228	91	108.4481	12.039	101
474	930	960	0:SP3_SP2_SP2	C[5]	C	N[5]	4:2:3:1:	4:3:1:	4:3:	C[5]-4:N[5]-2:C-3:H-1:	C[5]-4:N-3:O-1:	C[5]-4:C[5]-3:	C[5](C[5]O[5]CH)(N[5]C[5])(CNO)(H)	C(C[5]C[5]N[5]H)(NCH)(O)	N[5](C[5]C[5]CH)(C[5]O[5]C)	C[5](C[5]O[5]CH)(N[5]C[5])(CNO)(H){1|C<4>}	C(C[5]C[5]N[5]H)(NCH)(O)	N[5](C[5]C[5]CH)(C[5]O[5]C){1|C<4>,1|H<1>}	111.5430	1.844	8	111.5430	3.399	8	111.5430	3.399	8	111.2135	3.318	10	108.3049	12.228	91	108.4481	12.039	101
474	930	960	0:SP3_SP2_SP2	C[5]	C	N[5]	4:2:3:1:	4:3:1:	4:3:	C[5]-4:N[5]-2:C-3:H-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(N[5]C[5])(CN[5]O)(H)	C(C[5]C[5]N[5]H)(N[5]C[5]2)(O)	N[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(N[5]C[5])(CN[5]O)(H){1|O<1>,2|H<1>}	C(C[5]C[5]N[5]H)(N[5]C[5]2)(O)	N[5](C[5]C[5]CH)(C[5]C[5]O){4|H<1>}	110.8250	0.000	1	110.8250	0.000	1	109.8955	1.728	2	111.2135	3.318	10	108.3049	12.228	91	108.4481	12.039	101
474	930	960	0:SP3_SP2_SP2	C[5]	C	N[5]	4:2:3:1:	4:3:1:	4:3:	C[5]-4:N[5]-2:C-3:H-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]H)(N[5]C[5])(CN[5]O)(H)	C(C[5]C[5]N[5]H)(N[5]C[5]2)(O)	N[5](C[5]C[5]CH)(C[5]N[5]S)	C[5](C[5]C[6a]N[5]H)(N[5]C[5])(CN[5]O)(H){1|S<1>,1|S<4>,2|C<3>}	C(C[5]C[5]N[5]H)(N[5]C[5]2)(O)	N[5](C[5]C[5]CH)(C[5]N[5]S){1|C<3>,1|H<1>,1|S<4>}	108.9660	0.000	1	108.9660	0.000	1	109.8955	1.728	2	111.2135	3.318	10	108.3049	12.228	91	108.4481	12.039	101
474	930	960	0:SP3_SP2_SP2	C[5]	C	N[5]	4:2:3:1:	4:3:1:	4:4:	C[5]-4:N[5]-2:C-3:H-1:	C[5]-4:N-3:O-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5])(CNO)(H)	C(C[5]C[5]N[5]H)(NC[6a]H)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(N[5]C[5])(CNO)(H){4|H<1>}	C(C[5]C[5]N[5]H)(NC[6a]H)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HH){4|H<1>}	111.5940	0.000	1	111.5940	0.000	1	111.5940	0.000	1	111.5940	0.000	1	108.3049	12.228	91	108.4481	12.039	101
474	930	960	0:SP3_SP2_SP2	C[5]	C	N[5]	4:2:3:3:	4:2:1:	4:4:	C[5,5]-4:N[5]-2:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5]2S[5])(N[5]C[5])(COO)2	C(C[5]C[5,5]N[5]C)(OC)(O)	N[5](C[5]C[5,5]CC)(C[5]C[5]CH)	C[5](C[5,5]C[5]2S[5])(N[5]C[5])(COO)2{1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[5,5]N[5]C)(OC)(O)	N[5](C[5]C[5,5]CC)(C[5]C[5]CH){1|H<1>,1|S<2>,2|C<3>}	108.2350	1.314	2	108.2350	1.726	2	108.2350	1.726	2	108.3247	2.320	4	108.3049	12.228	91	108.4481	12.039	101
474	930	960	0:SP3_SP2_SP2	C[5]	C	N[5]	4:2:3:3:	4:2:1:	4:4:	C[5]-4:N[5]-2:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5])(COO)2	C(C[5]C[5]N[5]C)(OC)(O)	N[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](C[5]C[5]CH)(N[5]C[5])(COO)2{1|C<3>,1|C<4>,2|H<1>}	C(C[5]C[5]N[5]C)(OC)(O)	N[5](C[5]C[5]CC)(C[5]C[5]CH){2|C<3>,2|H<1>}	108.4145	2.280	2	108.4145	5.200	2	108.4145	5.200	2	108.3247	2.320	4	108.3049	12.228	91	108.4481	12.039	101
474	930	960	0:SP3_SP2_SP2	C[5]	C	N[5]	4:2:3:4:	3:4:1:	4:3:	C[5]-4:N[5]-2:C-3:C-4:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]O[5]H)(N[5]C[5])(CN[5]O)(CH3)	C(N[5]C[5,5,6]S[5])(C[5]C[5]N[5]C)(O)	N[5](C[5]C[5]CC)(C[5]O[5]O)	C[5](C[5]C[6a]O[5]H)(N[5]C[5])(CN[5]O)(CH3){1|O<1>,2|C<3>}	C(N[5]C[5,5,6]S[5])(C[5]C[5]N[5]C)(O)	N[5](C[5]C[5]CC)(C[5]O[5]O){1|C<3>,1|H<1>}	113.7220	0.000	1	113.7220	0.000	1	113.7220	0.000	1	113.7220	0.000	1	108.3049	12.228	91	108.4481	12.039	101
474	930	960	0:SP3_SP2_SP2	C[5]	C	N[5]	4:2:4:3:	4:2:1:	3:4:	C[5,5]-4:N[5]-2:C-4:C-3:	C[5]-4:O-2:O-1:	C[5]-3:C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5])(CH3)(COO)	C(C[5]C[5,5]N[5]C)(OC)(O)	N[5](C[5]C[5,5]C[6a])(C[5]C[5,5]CC)	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>}	C(C[5]C[5,5]N[5]C)(OC)(O)	N[5](C[5]C[5,5]C[6a])(C[5]C[5,5]CC){2|H<1>,4|C<3>}	106.5520	0.000	1	106.5520	0.000	1	106.5520	0.000	1	106.4068	4.836	8	108.3049	12.228	91	108.4481	12.039	101
474	930	960	0:SP3_SP2_SP2	C[5]	C	N[5]	4:2:4:3:	4:2:1:	3:4:	C[5]-4:N[5]-2:C-4:C-3:	C[5]-4:O-2:O-1:	C[5]-3:C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5])(CH3)(COO)	C(C[5]C[5]N[5]C)(OC)(O)	N[5](C[5]C[6a]C[5])(C[5]C[5]CC)	C[5](C[5]C[5]CH)(N[5]C[5])(CH3)(COO){1|H<1>,2|C<3>}	C(C[5]C[5]N[5]C)(OC)(O)	N[5](C[5]C[6a]C[5])(C[5]C[5]CC){2|H<1>,4|C<3>}	110.8080	0.000	1	110.8080	0.000	1	106.3860	5.638	7	106.4068	4.836	8	108.3049	12.228	91	108.4481	12.039	101
474	930	960	0:SP3_SP2_SP2	C[5]	C	N[5]	4:2:4:3:	4:2:1:	3:4:	C[5]-4:N[5]-2:C-4:C-3:	C[5]-4:O-2:O-1:	C[5]-3:C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5])(CC[5]CH)(COO)	C(C[5]C[5]N[5]C)(OC)(O)	N[5](C[5]C[6a]C[5])(C[5]C[5]CC)	C[5](C[5]C[5]HH)(N[5]C[5])(CC[5]CH)(COO){1|C<3>,2|H<1>}	C(C[5]C[5]N[5]C)(OC)(O)	N[5](C[5]C[6a]C[5])(C[5]C[5]CC){2|C<3>,4|H<1>}	105.2497	1.513	3	105.2497	2.289	3	106.3860	5.638	7	106.4068	4.836	8	108.3049	12.228	91	108.4481	12.039	101
474	930	960	0:SP3_SP2_SP2	C[5]	C	N[5]	4:2:4:3:	4:2:1:	3:4:	C[5]-4:N[5]-2:C-4:C-3:	C[5]-4:O-2:O-1:	C[5]-3:C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5])(CCHH)(COO)	C(C[5]C[5]N[5]C)(OC)(O)	N[5](C[5]C[6a]S[5])(C[5]C[5]CC)	C[5](C[5]S[5]HH)(N[5]C[5])(CCHH)(COO){1|C<3>}	C(C[5]C[5]N[5]C)(OC)(O)	N[5](C[5]C[6a]S[5])(C[5]C[5]CC){2|C<3>,2|H<1>}	107.8470	0.000	1	107.8470	0.000	1	106.3860	5.638	7	106.4068	4.836	8	108.3049	12.228	91	108.4481	12.039	101
474	930	960	0:SP3_SP2_SP2	C[5]	C	N[5]	4:2:4:3:	4:2:1:	3:4:	C[5]-4:N[5]-2:C-4:C-3:	C[5]-4:O-2:O-1:	C[5]-3:C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5])(CC[5]CH)(COO)	C(C[5]C[5]N[5]C)(OC)(O)	N[5](C[5]C[6a]S[5])(C[5]C[5]CC)	C[5](C[5]S[5]HH)(N[5]C[5])(CC[5]CH)(COO){1|C<3>}	C(C[5]C[5]N[5]C)(OC)(O)	N[5](C[5]C[6a]S[5])(C[5]C[5]CC){2|C<3>,2|H<1>}	105.1490	0.791	2	105.1490	0.625	2	106.3860	5.638	7	106.4068	4.836	8	108.3049	12.228	91	108.4481	12.039	101
474	930	960	0:SP3_SP2_SP2	C[5]	C	N[5]	4:2:4:3:	4:2:1:	4:2:	C[5]-4:N[5]-2:C-4:C-3:	C[5]-4:O-2:O-1:	C[5]-4:N[5]-2:	C[5](C[5]C[5]HH)(N[5]N[5])(CHHN)(COO)	C(C[5]C[5]N[5]C)(OC)(O)	N[5](C[5]C[5]CC)(N[5]C[5])	C[5](C[5]C[5]HH)(N[5]N[5])(CHHN)(COO){2|H<1>}	C(C[5]C[5]N[5]C)(OC)(O)	N[5](C[5]C[5]CC)(N[5]C[5]){4|H<1>}	107.5220	0.000	1	107.5220	0.000	1	107.5220	0.000	1	107.5220	0.000	1	108.3049	12.228	91	108.4481	12.039	101
474	930	960	0:SP3_SP2_SP2	C[5]	C	N[5]	4:2:4:3:	4:2:1:	4:3:	C[5,5]-4:N[5]-2:C-4:C-3:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5])(CHHS)(COO)	C(C[5]C[5,5]N[5]C)(OC)(O)	N[5](C[5]C[5,5]CC)(C[5]C[5,5]H)	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>}	C(C[5]C[5,5]N[5]C)(OC)(O)	N[5](C[5]C[5,5]CC)(C[5]C[5,5]H){2|C<3>,2|H<1>}	107.9310	0.000	1	107.9310	0.000	1	107.9310	0.000	1	111.7020	3.946	7	108.3049	12.228	91	108.4481	12.039	101
474	930	960	0:SP3_SP2_SP2	C[5]	C	N[5]	4:2:4:3:	4:2:1:	4:3:	C[5,6]-4:N[5]-2:C-4:C-3:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-3:	C[5](C[5,6]C[6,6a]C[6]O[5])(N[5]C[5])(CCHH)(COO)	C(C[5]C[5,6]N[5]C)(OC)(O)	N[5](C[5]C[5,6]CC)(C[5]O[5]C)	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>}	C(C[5]C[5,6]N[5]C)(OC)(O)	N[5](C[5]C[5,6]CC)(C[5]O[5]C){2|C<3>}	110.0890	0.000	1	110.0890	0.000	1	112.3305	1.417	6	111.7020	3.946	7	108.3049	12.228	91	108.4481	12.039	101
474	930	960	0:SP3_SP2_SP2	C[5]	C	N[5]	4:2:4:3:	4:2:1:	4:3:	C[5,6]-4:N[5]-2:C-4:C-3:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-3:	C[5](C[5,6]C[6,6a]C[6]O[5])(N[5]C[5])(CH3)(COO)	C(C[5]C[5,6]N[5]C)(OC)(O)	N[5](C[5]C[5,6]CC)(C[5]O[5]C)	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>}	C(C[5]C[5,6]N[5]C)(OC)(O)	N[5](C[5]C[5,6]CC)(C[5]O[5]C){2|C<3>}	112.7788	0.513	5	112.7788	0.264	5	112.3305	1.417	6	111.7020	3.946	7	108.3049	12.228	91	108.4481	12.039	101
474	930	960	0:SP3_SP2_SP2	C[5]	C	N[5]	4:2:4:3:	4:2:1:	4:4:	C[5]-4:N[5]-2:C-4:C-3:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5])(CH3)(COO)	C(C[5]C[5]N[5]C)(OC)(O)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)	C[5](C[5]C[5]HH)(N[5]C[5])(CH3)(COO){1|C<2>,1|H<1>,2|C<3>}	C(C[5]C[5]N[5]C)(OC)(O)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CC){1|C<2>,2|H<1>,3|C<3>}	109.1360	0.000	1	109.1360	0.000	1	109.1360	0.000	1	109.1360	0.000	1	108.3049	12.228	91	108.4481	12.039	101
474	930	960	0:SP3_SP2_SP2	C[5]	C	N[5]	4:2:4:3:	4:3:1:	3:4:	C[5]-4:N[5]-2:C-4:C-3:	C[5]-4:C-3:H-1:	C[5]-3:C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5])(CH3)(CCH)	C(C[5]C[5]N[5]C)(CHH)(H)	N[5](C[5]C[6a]C[5])(C[5]C[5]CC)	C[5](C[5]C[5]HH)(N[5]C[5])(CH3)(CCH){1|C<3>,2|H<1>}	C(C[5]C[5]N[5]C)(CHH)(H)	N[5](C[5]C[6a]C[5])(C[5]C[5]CC){2|C<3>,4|H<1>}	110.9530	0.000	1	110.9530	0.000	1	110.9530	0.000	1	110.9530	0.000	1	108.3049	12.228	91	108.4481	12.039	101
474	930	960	0:SP3_SP2_SP2	C[5]	C	N[5]	4:3:2:3:	4:2:1:	4:3:	C[5,5]-4:C[6a]-3:N[5]-2:C-3:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5])(COO)	C(C[5]C[5,5]C[6a]N[5])(OC)(O)	N[5](C[5]C[5,5]C[6a]C)(C[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5])(COO){1|N<3>,1|O<1>,2|C<2>,3|H<1>,4|C<3>}	C(C[5]C[5,5]C[6a]N[5])(OC)(O)	N[5](C[5]C[5,5]C[6a]C)(C[5]C[5]H){2|C<2>,4|C<3>}	108.3510	0.000	1	108.3510	0.000	1	105.4370	7.871	4	104.4574	15.196	16	108.3049	12.228	91	108.4481	12.039	101
474	930	960	0:SP3_SP2_SP2	C[5]	C	N[5]	4:3:2:3:	4:2:1:	4:3:	C[5,5]-4:C[6a]-3:N[5]-2:C-3:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5])(COO)	C(C[5]C[5,5]C[6a]N[5])(OC)(O)	N[5](C[5]C[5,5]C[6a]C)(C[5]N[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5])(COO){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C(C[5]C[5,5]C[6a]N[5])(OC)(O)	N[5](C[5]C[5,5]C[6a]C)(C[5]N[5]H){5|C<3>}	106.5990	0.000	1	106.5990	0.000	1	105.4370	7.871	4	104.4574	15.196	16	108.3049	12.228	91	108.4481	12.039	101
474	930	960	0:SP3_SP2_SP2	C[5]	C	N[5]	4:3:2:3:	4:2:1:	4:3:	C[5,5]-4:C[6a]-3:N[5]-2:C-3:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5])(COO)	C(C[5]C[5,5]C[6a]N[5])(OC)(O)	N[5](C[5]C[5,5]C[6a]C)(C[5]N[5,5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5])(COO){2|C<3>,2|C<4>,5|H<1>}	C(C[5]C[5,5]C[6a]N[5])(OC)(O)	N[5](C[5]C[5,5]C[6a]C)(C[5]N[5,5]H){1|H<1>,2|C<3>,2|C<4>}	105.0520	0.000	1	105.0520	0.000	1	105.4370	7.871	4	104.4574	15.196	16	108.3049	12.228	91	108.4481	12.039	101
474	930	960	0:SP3_SP2_SP2	C[5]	C	N[5]	4:3:2:3:	4:2:1:	4:3:	C[5,5]-4:C[6a]-3:N[5]-2:C-3:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-3:	C[5](C[5,5]N[5,5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5])(COO)	C(C[5]C[5,5]C[6a]N[5])(OC)(O)	N[5](C[5]C[5,5]C[6a]C)(C[5]N[5,5]H)	C[5](C[5,5]N[5,5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5])(COO){1|N<3>,1|O<1>,1|S<4>,3|H<1>,4|C<3>}	C(C[5]C[5,5]C[6a]N[5])(OC)(O)	N[5](C[5]C[5,5]C[6a]C)(C[5]N[5,5]H){1|S<4>,4|C<3>}	101.7460	0.000	1	101.7460	0.000	1	105.4370	7.871	4	104.4574	15.196	16	108.3049	12.228	91	108.4481	12.039	101
474	930	960	0:SP3_SP2_SP2	C[5]	C	N[5]	4:3:2:3:	4:2:1:	4:3:	C[5,6]-4:C[6a]-3:N[5]-2:C-3:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-3:	C[5](C[5,6]C[6,6a]N[5,6]C)(C[6a]C[6a]2)(N[5]C[5])(COO)	C(C[5]C[5,6]C[6a]N[5])(OC)(O)	N[5](C[5]C[5,6]C[6a]C)(C[5]N[5,6]H)	C[5](C[5,6]C[6,6a]N[5,6]C)(C[6a]C[6a]2)(N[5]C[5])(COO){3|H<1>,5|C<3>}	C(C[5]C[5,6]C[6a]N[5])(OC)(O)	N[5](C[5]C[5,6]C[6a]C)(C[5]N[5,6]H){1|C<4>,4|C<3>}	110.6740	0.629	2	110.6740	0.396	2	110.6740	0.396	2	104.4574	15.196	16	108.3049	12.228	91	108.4481	12.039	101
474	930	960	0:SP3_SP2_SP2	C[5]	C	N[5]	4:3:2:3:	4:2:1:	4:3:	C[5]-4:C[6a]-3:N[5]-2:C-3:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(N[5]C[5])(COO)	C(C[5]C[6a]C[5]N[5])(OC)(O)	N[5](C[5]C[6a]C[5]C)(C[5]C[5,5]H)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(N[5]C[5])(COO){3|H<1>,4|C<3>}	C(C[5]C[6a]C[5]N[5])(OC)(O)	N[5](C[5]C[6a]C[5]C)(C[5]C[5,5]H){1|H<1>,5|C<3>}	102.9845	0.026	2	102.9845	0.001	2	102.8222	10.673	10	104.4574	15.196	16	108.3049	12.228	91	108.4481	12.039	101
474	930	960	0:SP3_SP2_SP2	C[5]	C	N[5]	4:3:2:3:	4:2:1:	4:3:	C[5]-4:C[6a]-3:N[5]-2:C-3:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5])(COO)	C(C[5]C[6a]C[5]N[5])(OC)(O)	N[5](C[5]C[6a]C[5]C)(C[5]C[5,5]H)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5])(COO){1|C<4>,3|C<3>,3|H<1>}	C(C[5]C[6a]C[5]N[5])(OC)(O)	N[5](C[5]C[6a]C[5]C)(C[5]C[5,5]H){1|C<4>,2|H<1>,3|C<3>}	110.6160	0.000	1	102.3423	14.197	7	102.8222	10.673	10	104.4574	15.196	16	108.3049	12.228	91	108.4481	12.039	101
474	930	960	0:SP3_SP2_SP2	C[5]	C	N[5]	4:3:2:3:	4:2:1:	4:3:	C[5]-4:C[6a]-3:N[5]-2:C-3:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5])(COO)	C(C[5]C[6a]C[5]N[5])(OC)(O)	N[5](C[5]C[6a]C[5]C)(C[5]C[5,5]H)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5])(COO){1|N<3>,2|H<1>,4|C<3>}	C(C[5]C[6a]C[5]N[5])(OC)(O)	N[5](C[5]C[6a]C[5]C)(C[5]C[5,5]H){2|H<1>,4|C<3>}	100.9634	1.032	6	102.3423	14.197	7	102.8222	10.673	10	104.4574	15.196	16	108.3049	12.228	91	108.4481	12.039	101
474	930	960	0:SP3_SP2_SP2	C[5]	C	N[5]	4:3:2:3:	4:2:1:	4:3:	C[5]-4:C[6a]-3:N[5]-2:C-3:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(COO)	C(C[5]C[6a]C[5]N[5])(OC[6a])(O)	N[5](C[5]C[6a]C[5]C)(C[5]N[5]H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(COO){1|S<4>,3|H<1>,4|C<3>}	C(C[5]C[6a]C[5]N[5])(OC[6a])(O)	N[5](C[5]C[6a]C[5]C)(C[5]N[5]H){1|H<1>,1|S<4>,3|C<3>}	105.8570	0.000	1	105.8570	0.000	1	102.8222	10.673	10	104.4574	15.196	16	108.3049	12.228	91	108.4481	12.039	101
474	930	960	0:SP3_SP2_SP2	C[5]	C	N[5]	4:4:2:3:	4:2:1:	3:4:	C[5]-4:C-4:N[5]-2:C-3:	C[5]-4:O-2:O-1:	C[5]-3:C[5]-4:	C[5](C[5]C[5,5]CH)(CC[6a]HH)(N[5]C[5])(COO)	C(C[5]C[5]N[5]C)(OC)(O)	N[5](C[5]C[5,5]C[6a])(C[5]C[5]CC)	C[5](C[5]C[5,5]CH)(CC[6a]HH)(N[5]C[5])(COO){3|C<3>}	C(C[5]C[5]N[5]C)(OC)(O)	N[5](C[5]C[5,5]C[6a])(C[5]C[5]CC){1|H<1>,5|C<3>}	106.4225	0.237	2	106.4225	0.056	2	107.9620	2.614	6	107.4693	5.646	9	108.3049	12.228	91	108.4481	12.039	101
474	930	960	0:SP3_SP2_SP2	C[5]	C	N[5]	4:4:2:3:	4:2:1:	3:4:	C[5]-4:C-4:N[5]-2:C-3:	C[5]-4:O-2:O-1:	C[5]-3:C[5]-4:	C[5](C[5]C[5]HH)(CC[6a]CH)(N[5]C[5])(COO)	C(C[5]C[5]N[5]C)(OC)(O)	N[5](C[5]C[6a]C[5])(C[5]C[5]CC)	C[5](C[5]C[5]HH)(CC[6a]CH)(N[5]C[5])(COO){1|C<3>,2|H<1>}	C(C[5]C[5]N[5]C)(OC)(O)	N[5](C[5]C[6a]C[5])(C[5]C[5]CC){2|C<3>,4|H<1>}	109.1497	1.380	3	109.1497	1.904	3	107.9620	2.614	6	107.4693	5.646	9	108.3049	12.228	91	108.4481	12.039	101
474	930	960	0:SP3_SP2_SP2	C[5]	C	N[5]	4:4:2:3:	4:2:1:	3:4:	C[5]-4:C-4:N[5]-2:C-3:	C[5]-4:O-2:O-1:	C[5]-3:C[5]-4:	C[5](C[5]C[5]HH)(CC[6a]HH)(N[5]C[5])(COO)	C(C[5]C[5]N[5]C)(OC)(O)	N[5](C[5]C[6a]C[5])(C[5]C[5]CC)	C[5](C[5]C[5]HH)(CC[6a]HH)(N[5]C[5])(COO){1|C<3>,2|H<1>}	C(C[5]C[5]N[5]C)(OC)(O)	N[5](C[5]C[6a]C[5])(C[5]C[5]CC){2|C<3>,4|H<1>}	107.4780	0.000	1	107.4780	0.000	1	107.9620	2.614	6	107.4693	5.646	9	108.3049	12.228	91	108.4481	12.039	101
474	930	960	0:SP3_SP2_SP2	C[5]	C	N[5]	4:4:2:3:	4:2:1:	3:4:	C[5]-4:C[5]-4:N[5]-2:C-3:	C[5]-4:O-2:O-1:	C[5]-3:C[5]-4:	C[5](C[5]C[5]N[5]C)(C[5]S[5]HH)(N[5]C[5])(COO)	C(C[5]C[5]2N[5])(OC)(O)	N[5](C[5]C[6a]S[5])(C[5]C[5]2C)	C[5](C[5]C[5]N[5]C)(C[5]S[5]HH)(N[5]C[5])(COO){1|S<2>,2|C<3>,2|H<1>}	C(C[5]C[5]2N[5])(OC)(O)	N[5](C[5]C[6a]S[5])(C[5]C[5]2C){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	106.4840	3.723	3	106.4840	13.863	3	106.4840	13.863	3	107.4693	5.646	9	108.3049	12.228	91	108.4481	12.039	101
474	930	960	0:SP3_SP2_SP2	C[5]	C	N[5]	4:4:2:3:	4:2:1:	4:3:	C[5,6]-4:C-4:N[5]-2:C-3:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-3:	C[5](C[5,6]C[6,6a]C[6]O[5])(CC[6a]HH)(N[5]C[5])(COO)	C(C[5]C[5,6]N[5]C)(OC)(O)	N[5](C[5]C[5,6]CC)(C[5]O[5]C)	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>}	C(C[5]C[5,6]N[5]C)(OC)(O)	N[5](C[5]C[5,6]CC)(C[5]O[5]C){2|C<3>}	110.1570	0.000	1	110.1570	0.000	1	110.1570	0.000	1	110.1570	0.000	1	108.3049	12.228	91	108.4481	12.039	101
474	930	976	0:SP3_SP2_SP2	C[5,5,6]	C	O[5,6]	4:4:2:3:	4:2:1:	4:3:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-3:	C[5,5,6]-4:O-2:O-1:	C[5,5,6]-4:C[5,6]-3:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(O[5,6]C[5,6])(COO)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC)(O)	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]O)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(O[5,6]C[5,6])(COO){1|C<4>,1|O<1>,2|H<1>}	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC)(O)	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]O){2|H<1>,4|C<4>}	109.0899	1.855	31	109.0899	3.441	31	108.5630	3.352	76	108.5630	3.352	76	108.6863	3.438	82	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5,5,6]	C	O[5,6]	4:4:2:3:	4:2:1:	4:3:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-3:	C[5,5,6]-4:O-2:O-1:	C[5,5,6]-4:C[5,6]-3:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(O[5,6]C[5,6])(COO)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[3])(O)	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]O)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(O[5,6]C[5,6])(COO){1|C<4>,1|O<1>,2|H<1>}	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[3])(O)	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]O){2|H<1>,4|C<4>}	108.2330	0.000	1	108.2330	0.000	1	108.5630	3.352	76	108.5630	3.352	76	108.6863	3.438	82	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5,5,6]	C	O[5,6]	4:4:2:3:	4:2:1:	4:3:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-3:	C[5,5,6]-4:O-2:O-1:	C[5,5,6]-4:C[5,6]-3:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(O[5,6]C[5,6])(COO)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[5])(O)	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]O)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(O[5,6]C[5,6])(COO){1|C<4>,1|O<1>,2|H<1>}	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[5])(O)	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]O){2|H<1>,4|C<4>}	108.5162	1.615	14	108.5162	2.608	14	108.5630	3.352	76	108.5630	3.352	76	108.6863	3.438	82	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5,5,6]	C	O[5,6]	4:4:2:3:	4:2:1:	4:3:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-3:	C[5,5,6]-4:O-2:O-1:	C[5,5,6]-4:C[5,6]-3:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(O[5,6]C[5,6])(COO)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[6,6])(O)	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]O)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(O[5,6]C[5,6])(COO){1|C<4>,1|O<1>,2|H<1>}	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[6,6])(O)	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]O){2|H<1>,4|C<4>}	107.0900	1.437	2	107.0900	2.065	2	108.5630	3.352	76	108.5630	3.352	76	108.6863	3.438	82	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5,5,6]	C	O[5,6]	4:4:2:3:	4:2:1:	4:3:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-3:	C[5,5,6]-4:O-2:O-1:	C[5,5,6]-4:C[5,6]-3:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(O[5,6]C[5,6])(COO)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[6])(O)	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]O)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(O[5,6]C[5,6])(COO){1|C<4>,1|O<1>,2|H<1>}	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[6])(O)	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]O){2|H<1>,4|C<4>}	107.7618	1.556	16	107.7618	2.421	16	108.5630	3.352	76	108.5630	3.352	76	108.6863	3.438	82	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5,5,6]	C	O[5,6]	4:4:2:3:	4:2:1:	4:3:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-3:	C[5,5,6]-4:O-2:O-1:	C[5,5,6]-4:C[5,6]-3:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(O[5,6]C[5,6])(COO)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[6a])(O)	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]O)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(O[5,6]C[5,6])(COO){1|C<4>,1|O<1>,2|H<1>}	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[6a])(O)	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]O){2|H<1>,4|C<4>}	108.7233	2.246	11	108.7233	5.043	11	108.5630	3.352	76	108.5630	3.352	76	108.6863	3.438	82	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5,5,6]	C	O[5,6]	4:4:2:3:	4:2:1:	4:3:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-3:	C[5,5,6]-4:O-2:O-1:	C[5,5,6]-4:C[5,6]-3:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(O[5,6]C[5,6])(COO)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(ON)(O)	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]O)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(O[5,6]C[5,6])(COO){1|C<4>,1|O<1>,2|H<1>}	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(ON)(O)	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]O){1|C<3>,2|H<1>,3|C<4>}	107.2150	0.000	1	107.2150	0.000	1	108.5630	3.352	76	108.5630	3.352	76	108.6863	3.438	82	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5,5,6]	C	O[5,6]	4:4:2:3:	4:3:1:	4:3:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-3:	C[5,5,6]-4:N-3:O-1:	C[5,5,6]-4:C[5,6]-3:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(O[5,6]C[5,6])(CNO)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(NCH)(O)	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]O)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(O[5,6]C[5,6])(CNO){1|C<4>,1|O<1>,2|H<1>}	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(NCH)(O)	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]O){2|H<1>,4|C<4>}	109.7930	0.000	1	109.7930	0.000	1	110.2240	0.372	2	110.2483	2.252	6	108.6863	3.438	82	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5,5,6]	C	O[5,6]	4:4:2:3:	4:3:1:	4:3:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-3:	C[5,5,6]-4:N-3:O-1:	C[5,5,6]-4:C[5,6]-3:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(O[5,6]C[5,6])(CNO)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(NN[5]H)(O)	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]O)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(O[5,6]C[5,6])(CNO){1|C<4>,1|O<1>,2|H<1>}	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(NN[5]H)(O)	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]O){2|H<1>,4|C<4>}	110.6550	0.000	1	110.6550	0.000	1	110.2240	0.372	2	110.2483	2.252	6	108.6863	3.438	82	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5,5,6]	C	O[5,6]	4:4:2:3:	4:3:1:	4:3:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,6]-3:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(O[5,6]C[5,6])(CN[5]O)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(N[5]C[5,6a]C[5])(O)	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]O)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(O[5,6]C[5,6])(CN[5]O){1|C<4>,1|O<1>,2|H<1>}	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(N[5]C[5,6a]C[5])(O)	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]O){2|H<1>,4|C<4>}	109.2280	2.496	2	109.2280	6.230	2	109.2280	6.230	2	110.2483	2.252	6	108.6863	3.438	82	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5,5,6]	C	O[5,6]	4:4:2:3:	4:3:1:	4:3:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-3:	C[5,5,6]-4:N[6]-3:O-1:	C[5,5,6]-4:C[5,6]-3:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(O[5,6]C[5,6])(CN[6]O)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(N[6]C[6,6a]C[6])(O)	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]O)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(O[5,6]C[5,6])(CN[6]O){1|C<4>,1|O<1>,2|H<1>}	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(N[6]C[6,6a]C[6])(O)	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]O){2|H<1>,4|C<4>}	111.7360	0.000	1	111.7360	0.000	1	111.2930	0.392	2	110.2483	2.252	6	108.6863	3.438	82	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5,5,6]	C	O[5,6]	4:4:2:3:	4:3:1:	4:3:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-3:	C[5,5,6]-4:N[6]-3:O-1:	C[5,5,6]-4:C[5,6]-3:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(O[5,6]C[5,6])(CN[6]O)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(N[6]C[6]2)(O)	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]O)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(O[5,6]C[5,6])(CN[6]O){1|C<4>,1|O<1>,2|H<1>}	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(N[6]C[6]2)(O)	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]O){2|H<1>,4|C<4>}	110.8500	0.000	1	110.8500	0.000	1	111.2930	0.392	2	110.2483	2.252	6	108.6863	3.438	82	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5,5,6]	C	O[5]	4:4:2:3:	4:3:1:	4:3:	C[3x5,6]-4:C[5,6]-4:O[5]-2:C-3:	C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5]-3:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]CO)(O[5]C[5])(CCH)	C(C[5,5,6]C[3x5,6]C[5,6]O[5])(CCC)(H)	O[5](C[5,5,6]C[3x5,6]C[5,6]C)(C[5]C[5,5,6]O)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]CO)(O[5]C[5])(CCH){1|C<4>,1|O<1>,4|H<1>}	C(C[5,5,6]C[3x5,6]C[5,6]O[5])(CCC)(H)	O[5](C[5,5,6]C[3x5,6]C[5,6]C)(C[5]C[5,5,6]O){1|H<1>,1|O<2>,5|C<4>}	102.7990	0.000	1	102.7990	0.000	1	102.6080	0.073	2	102.6080	0.073	2	102.6080	0.073	2	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5,5,6]	C	O[5]	4:4:2:3:	4:3:1:	4:3:	C[3x5,6]-4:C[5,6]-4:O[5]-2:C-3:	C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5]-3:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]CO)(O[5]C[5])(CCH)	C(C[5,5,6]C[3x5,6]C[5,6]O[5])(CCH)(H)	O[5](C[5,5,6]C[3x5,6]C[5,6]C)(C[5]C[5,5,6]O)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]CO)(O[5]C[5])(CCH){1|C<4>,1|O<1>,4|H<1>}	C(C[5,5,6]C[3x5,6]C[5,6]O[5])(CCH)(H)	O[5](C[5,5,6]C[3x5,6]C[5,6]C)(C[5]C[5,5,6]O){1|H<1>,1|O<2>,5|C<4>}	102.4170	0.000	1	102.4170	0.000	1	102.6080	0.073	2	102.6080	0.073	2	102.6080	0.073	2	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5,5]	C	O[5]	4:4:2:3:	4:2:1:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:C-3:	C[5,5]-4:O-2:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a]O)(O[5]C[5])(COO)	C(C[5,5]C[5,5]C[5]O[5])(OC)(O)	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]O)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a]O)(O[5]C[5])(COO){1|O<1>,2|H<1>,4|C<3>}	C(C[5,5]C[5,5]C[5]O[5])(OC)(O)	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]O){1|O<2>,3|C<3>,3|H<1>}	107.7055	1.839	2	107.7055	3.383	2	109.2353	5.276	4	109.2353	5.276	4	109.0548	4.120	5	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5,5]	C	O[5]	4:4:2:3:	4:2:1:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:C-3:	C[5,5]-4:O-2:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]2O)(C[5]O[5]HH)(O[5]C[5])(COO)	C(C[5,5]C[5,5]C[5]O[5])(OC)(O)	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]C)	C[5,5](C[5,5]C[5]2O)(C[5]O[5]HH)(O[5]C[5])(COO){1|C<3>,1|C<4>,2|H<1>}	C(C[5,5]C[5,5]C[5]O[5])(OC)(O)	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]C){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	109.5230	0.000	1	109.5230	0.000	1	109.2353	5.276	4	109.2353	5.276	4	109.0548	4.120	5	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5,5]	C	O[5]	4:4:2:3:	4:2:1:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:C-3:	C[5,5]-4:O-2:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]CO)(O[5]C[5])(COO)	C(C[5,5]C[5,5]C[5]O[5])(OC)(O)	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]O)	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]CO)(O[5]C[5])(COO){1|O<1>,4|H<1>}	C(C[5,5]C[5,5]C[5]O[5])(OC)(O)	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]O){1|C<3>,1|C<4>,2|H<1>,3|O<2>}	112.0070	0.000	1	112.0070	0.000	1	109.2353	5.276	4	109.2353	5.276	4	109.0548	4.120	5	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5,5]	C	O[5]	4:4:2:3:	4:4:1:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:C-3:	C[5,5]-4:C-4:O-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]2C)(C[5]N[5]HH)(O[5]C[5])(CCO)	C(C[5,5]C[5,5]C[5]O[5])(CH3)(O)	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])	C[5,5](C[5,5]C[5]2C)(C[5]N[5]HH)(O[5]C[5])(CCO){1|C<3>,1|S<4>,3|H<1>}	C(C[5,5]C[5,5]C[5]O[5])(CH3)(O)	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5]){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	108.3330	0.000	1	108.3330	0.000	1	108.3330	0.000	1	108.3330	0.000	1	109.0548	4.120	5	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5,6,6]	C	O[5]	4:4:2:3:	4:2:1:	4:3:	C[5,3x6]-4:C[6,6]-4:O[5]-2:C-3:	C[5,6,6]-4:O-2:O-1:	C[5,6,6]-4:C[5,6a]-3:	C[5,6,6](C[5,3x6]C[5,6a]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6a])(COO)	C(C[5,6,6]C[5,3x6]C[6,6]O[5])(OC)(O)	O[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5,6a]C[5,6a]C[6a])	C[5,6,6](C[5,3x6]C[5,6a]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6a])(COO){1|C<4>,3|C<3>,5|H<1>}	C(C[5,6,6]C[5,3x6]C[6,6]O[5])(OC)(O)	O[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5,6a]C[5,6a]C[6a]){2|C<3>,3|C<4>,3|H<1>}	106.0425	0.507	2	106.0425	0.257	2	106.0425	0.257	2	106.0425	0.257	2	106.0425	0.257	2	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5,6]	C	O[5]	3:2:4:3:	4:2:1:	3:4:	C[5,6]-3:O[5]-2:C[6]-4:C-3:	C[5,6]-4:O-2:O-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6])(O[5]C[5,6a])(C[6]C[6]CH)(COO)	C(C[5,6]C[5,6]C[6]O[5])(OC)(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)	C[5,6](C[5,6]C[5,6a]C[6])(O[5]C[5,6a])(C[6]C[6]CH)(COO){3|C<3>,3|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(OC)(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C){2|C<4>,2|H<1>,3|C<3>}	105.5860	0.000	1	105.5860	0.000	1	105.5860	0.000	1	105.5860	0.000	1	108.8967	3.175	11	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5,6]	C	O[5]	3:4:2:3:	4:2:1:	4:3:	C[5a,6]-3:C[5,6]-4:O[5]-2:C-3:	C[5,6]-4:O-2:O-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]C[6]H)(O[5]C[5])(COO)	C(C[5,6]C[5a,6]C[5,6]O[5])(OC)(O)	O[5](C[5,6]C[5a,6]C[5,6]C)(C[5]C[6a]C[5])	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]C[6]H)(O[5]C[5])(COO){1|C<2>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C(C[5,6]C[5a,6]C[5,6]O[5])(OC)(O)	O[5](C[5,6]C[5a,6]C[5,6]C)(C[5]C[6a]C[5]){1|C<2>,1|C<4>,1|H<1>,4|C<3>}	109.0070	0.000	1	109.0070	0.000	1	109.0070	0.000	1	109.0070	0.000	1	108.8967	3.175	11	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5,6]	C	O[5]	4:2:3:3:	4:3:1:	3:4:	C[5,6]-4:O[5]-2:C[6]-3:C-3:	C[5,6]-4:N-3:O-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]O)(CNO)	C(C[5,6]C[5,6]C[6]O[5])(NC[6a]H)(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]O)(CNO){3|C<3>,3|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(NC[6a]H)(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C){1|C<4>,1|H<1>,1|O<2>,1|S<4>,3|C<3>}	110.3650	0.000	1	110.3650	0.000	1	110.3650	0.000	1	110.3650	0.000	1	108.8967	3.175	11	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5,6]	C	O[5]	4:3:2:3:	4:3:1:	4:3:	C[5,6]-4:C[6]-3:O[5]-2:C-3:	C[5,6]-4:C-3:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]C)(O[5]C[5])(CCH)	C(C[5,6]C[5,6]C[6]O[5])(CCH)(H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]C)(O[5]C[5])(CCH){1|O<1>,3|C<4>,3|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(CCH)(H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O){1|C<3>,2|C<4>,3|H<1>}	109.8970	0.000	1	109.8970	0.000	1	109.8970	0.000	1	109.8970	0.000	1	108.8967	3.175	11	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5,6]	C	O[5]	4:4:2:3:	4:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:C-3:	C[5,6]-4:H-1:O-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(O[5]C[5])(CHO)	C(C[5,6]C[5,6]C[6]O[5])(H)(O)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(O[5]C[5])(CHO){1|O<1>,3|C<4>,4|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(H)(O)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O){3|H<1>,4|C<4>}	108.2010	0.000	1	108.2010	0.000	1	108.2010	0.000	1	108.2010	0.000	1	108.8967	3.175	11	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5,6]	C	O[5]	4:4:2:3:	4:2:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:C-3:	C[5,6]-4:O-2:O-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]FF)(O[5]C[5])(COO)	C(C[5,6]C[5,6]C[6]O[5])(OC)(O)	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]O)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]FF)(O[5]C[5])(COO){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(OC)(O)	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]O){1|C<3>,1|C<4>,1|H<1>,2|F<1>}	110.6487	0.890	3	110.6487	0.792	3	110.6487	0.792	3	110.6487	0.792	3	108.8967	3.175	11	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5,6]	C	O[5]	4:4:2:3:	4:4:3:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:C-3:	C[5,6]-4:C-4:C-3:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(CCC)	C(C[5,6]C[5,6]C[6]O[5])(CH3)(CHH)	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]O)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(CCC){1|O<1>,2|H<1>,3|C<4>}	C(C[5,6]C[5,6]C[6]O[5])(CH3)(CHH)	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]O){1|O<2>,2|C<4>,2|H<1>}	107.0750	0.000	1	107.0750	0.000	1	107.6207	0.731	3	107.6207	0.731	3	108.8967	3.175	11	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5,6]	C	O[5]	4:4:2:3:	4:4:3:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:C-3:	C[5,6]-4:C-4:C-3:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(CCC)	C(C[5,6]C[5,6]C[6]O[5])(CH3)(CHH)	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]O)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(CCC){1|O<1>,2|H<1>,3|C<4>}	C(C[5,6]C[5,6]C[6]O[5])(CH3)(CHH)	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]O){1|O<2>,2|C<4>,2|H<1>}	107.8935	1.008	2	107.8935	1.015	2	107.6207	0.731	3	107.6207	0.731	3	108.8967	3.175	11	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	2:2:4:3:	4:2:1:	4:3:	O[5]-2:O[5]-2:C-4:C-3:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-3:	C[5](O[5]C[5])2(CC3)(COO)	C(C[5]O[5]2C)(OH)(O)	O[5](C[5]O[5]CC)(C[5]C[5]O)	C[5](O[5]C[5])2(CC3)(COO){1|C<4>,1|O<1>,1|O<2>}	C(C[5]O[5]2C)(OH)(O)	O[5](C[5]O[5]CC)(C[5]C[5]O){1|C<4>,1|O<2>}	107.6970	0.000	1	107.6970	0.000	1	108.3395	0.826	2	108.3395	0.826	2	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	2:2:4:3:	4:2:1:	4:3:	O[5]-2:O[5]-2:C-4:C-3:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-3:	C[5](O[5]C[5])2(CH3)(COO)	C(C[5]O[5]2C)(OC)(O)	O[5](C[5]O[5]CC)(C[5]C[5]O)	C[5](O[5]C[5])2(CH3)(COO){1|C<4>,1|H<1>,1|O<1>}	C(C[5]O[5]2C)(OC)(O)	O[5](C[5]O[5]CC)(C[5]C[5]O){1|C<4>,1|H<1>}	108.9820	0.000	1	108.9820	0.000	1	108.3395	0.826	2	108.3395	0.826	2	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	3:2:3:1:	4:2:1:	4:3:	C[5,6a]-3:O[5]-2:C-3:H-1:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]N[6a])(O[5]C[5])(COO)(H)	C(C[5]C[5,6a]O[5]H)(OC)(O)	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]N[6a])(O[5]C[5])(COO)(H){1|O<1>,2|C<3>}	C(C[5]C[5,6a]O[5]H)(OC)(O)	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O){1|C<3>,1|N<2>}	109.1950	0.000	1	109.1950	0.000	1	109.1950	0.000	1	109.1950	0.000	1	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	3:2:3:1:	4:3:1:	4:3:	C[5]-3:O[5]-2:C-3:H-1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]N)(O[5]C[5])(CCH)(H)	C(C[5]C[5]O[5]H)(CC[6a]H)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]N)(O[5]C[5])(CCH)(H){1|C<4>,1|O<1>}	C(C[5]C[5]O[5]H)(CC[6a]H)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,1|N<3>}	109.1012	0.423	5	109.1012	0.179	5	109.1012	0.179	5	109.7227	2.460	6	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	3:2:3:1:	4:3:1:	4:3:	C[5]-3:O[5]-2:C-3:H-1:	C[5]-4:N-3:O-1:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(O[5]C[5])(CNO)(H)	C(C[5]C[5]O[5]H)(NCH)(O)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(O[5]C[5])(CNO)(H){1|O<1>,3|C<3>}	C(C[5]C[5]O[5]H)(NCH)(O)	O[5](C[5]C[5]CH)(C[5]C[5]O){2|C<3>}	112.8300	0.000	1	112.8300	0.000	1	112.8300	0.000	1	109.7227	2.460	6	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	3:2:3:1:	4:4:3:	3:4:	C[5]-3:O[5]-2:C-3:H-1:	C[5]-4:C-4:C-3:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(CCC)(H)	C(C[5]C[5]O[5]H)(CH3)(CHH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(CCC)(H){2|C<3>}	C(C[5]C[5]O[5]H)(CH3)(CHH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){1|H<1>,3|C<3>}	105.8080	0.000	1	105.8080	0.000	1	105.8080	0.000	1	105.8080	0.000	1	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	3:2:3:2:	4:2:1:	4:3:	C[5,6a]-3:O[5]-2:C-3:O-2:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(COO)(OC)	C(C[5]C[5,6a]O[5]O)(OC)(O)	O[5](C[5]C[5,6a]CO)(C[5]C[5,6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(COO)(OC){1|H<1>,3|C<3>}	C(C[5]C[5,6a]O[5]O)(OC)(O)	O[5](C[5]C[5,6a]CO)(C[5]C[5,6a]C){2|C<3>}	107.0180	0.000	1	107.0180	0.000	1	107.0180	0.000	1	107.0180	0.000	1	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	3:2:3:2:	4:3:1:	3:4:	C[5]-3:O[5]-2:C-3:O-2:	C[5]-4:N-3:O-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CNO)(OH)	C(C[5]C[5]O[5]O)(NCH)(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CNO)(OH){2|C<3>}	C(C[5]C[5]O[5]O)(NCH)(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO){1|H<1>,1|O<1>,2|C<3>}	106.6630	0.000	1	106.6630	0.000	1	106.6630	0.000	1	106.6630	0.000	1	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	3:2:3:3:	4:2:1:	3:4:	C[5]-3:O[5]-2:C-3:C-3:	C[5]-4:O-2:O-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]C[6])(O[5]C[5,6a])(COO)2	C(C[5]C[5]O[5]C)(OC)(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)	C[5](C[5]C[5,6a]C[6])(O[5]C[5,6a])(COO)2{4|C<3>}	C(C[5]C[5]O[5]C)(OC)(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC){1|H<1>,3|C<3>}	107.2245	1.030	2	107.2245	1.061	2	107.2245	1.061	2	107.2245	1.061	2	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	3:2:3:3:	4:2:1:	4:3:	C[5]-3:O[5]-2:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(O[5]C[5])(CCH)(COO)	C(C[5]C[5]O[5]C)(OC)(O)	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(O[5]C[5])(CCH)(COO){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5]O[5]C)(OC)(O)	O[5](C[5]C[5]CC)(C[5]C[5]O){1|C<3>,1|H<1>}	107.2470	0.000	1	107.2470	0.000	1	107.2470	0.000	1	107.2470	0.000	1	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	3:2:3:3:	4:3:1:	4:3:	C[5]-3:O[5]-2:C-3:C-3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(O[5]C[5])(CCH)(COO)	C(C[5]C[5]O[5]C)(CC[6a]H)(H)	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(O[5]C[5])(CCH)(COO){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5]O[5]C)(CC[6a]H)(H)	O[5](C[5]C[5]CC)(C[5]C[5]O){1|C<3>,1|H<1>}	108.8600	0.000	1	108.8600	0.000	1	108.8600	0.000	1	108.8600	0.000	1	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	3:2:4:3:	4:2:1:	3:4:	C[5]-3:O[5]-2:C-4:C-3:	C[5]-4:O-2:O-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]CH)(COO)	C(C[5]C[5]O[5]C)(OC)(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]CH)(COO){2|C<3>}	C(C[5]C[5]O[5]C)(OC)(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC){1|H<1>,1|O<1>,2|C<3>}	110.5910	0.000	1	110.5910	0.000	1	110.5910	0.000	1	110.5910	0.000	1	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	3:2:4:3:	4:2:1:	4:3:	C[5,6a]-3:O[5]-2:C-4:C-3:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(COO)	C(C[5]C[5,6a]O[5]C)(OC)(O)	O[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O)	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>}	C(C[5]C[5,6a]O[5]C)(OC)(O)	O[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O){2|C<3>}	107.4550	1.141	4	107.4550	1.303	4	107.4550	1.303	4	107.1607	0.701	8	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	3:2:4:3:	4:2:1:	4:3:	C[5]-3:O[5]-2:C-4:C-3:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CH3)(COO)	C(C[5]C[5]O[5]C)(OC)(O)	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(CH3)(COO){1|O<1>,1|O<2>}	C(C[5]C[5]O[5]C)(OC)(O)	O[5](C[5]C[5]CC)(C[5]C[5]O){1|H<1>,1|O<2>}	106.8665	0.320	4	106.8665	0.102	4	106.8665	0.102	4	107.1607	0.701	8	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	3:2:4:3:	4:3:1:	3:4:	C[5]-3:O[5]-2:C-4:C-3:	C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CH3)(CCH)	C(C[5]C[5]O[5]C)(CC[6a]H)(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CH3)(CCH){2|C<3>}	C(C[5]C[5]O[5]C)(CC[6a]H)(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC){1|H<1>,1|O<1>,2|C<3>}	110.5270	1.148	2	110.5270	1.319	2	110.5270	1.319	2	109.8468	2.840	4	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	3:2:4:3:	4:3:1:	3:4:	C[5]-3:O[5]-2:C-4:C-3:	C[5]-4:C-3:H-1:	C[5]-3:C[5]-4:	C[5](C[5]C[5]O)(O[5]C[5])(CH3)(CCH)	C(C[5]C[5]O[5]C)(CCH)(H)	O[5](C[5]C[5]C[6])(C[5]C[5]CC)	C[5](C[5]C[5]O)(O[5]C[5])(CH3)(CCH){1|C<3>,1|C<4>}	C(C[5]C[5]O[5]C)(CCH)(H)	O[5](C[5]C[5]C[6])(C[5]C[5]CC){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	110.8020	0.000	1	110.8020	0.000	1	109.1665	5.350	2	109.8468	2.840	4	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	3:2:4:3:	4:3:1:	3:4:	C[5]-3:O[5]-2:C-4:C-3:	C[5]-4:C-3:H-1:	C[5]-3:C[5]-4:	C[5](C[5]N[5]O)(O[5]C[5])(CH3)(CCH)	C(C[5]C[5]O[5]C)(CCH)(H)	O[5](C[5]C[6a]N[5])(C[5]C[5]CC)	C[5](C[5]N[5]O)(O[5]C[5])(CH3)(CCH){1|C<3>}	C(C[5]C[5]O[5]C)(CCH)(H)	O[5](C[5]C[6a]N[5])(C[5]C[5]CC){1|O<1>,2|C<3>}	107.5310	0.000	1	107.5310	0.000	1	109.1665	5.350	2	109.8468	2.840	4	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	3:2:4:3:	4:3:1:	4:3:	C[5]-3:O[5]-2:C-4:C-3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]O)(O[5]C[5])(CH3)(CCH)	C(C[5]C[5]O[5]C)(CCH)(H)	O[5](C[5]C[5]CC)(C[5]C[5]2)	C[5](C[5]C[5]O)(O[5]C[5])(CH3)(CCH){1|C<3>,1|C<4>}	C(C[5]C[5]O[5]C)(CCH)(H)	O[5](C[5]C[5]CC)(C[5]C[5]2){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	107.0130	0.000	1	107.0130	0.000	1	107.5055	0.485	2	107.5055	0.485	2	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	3:2:4:3:	4:3:1:	4:3:	C[5]-3:O[5]-2:C-4:C-3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]O)(O[5]C[5])(CH3)(CCH)	C(C[5]C[5]O[5]C)(CHH)(H)	O[5](C[5]C[5]CC)(C[5]N[5]O)	C[5](C[5]N[5]O)(O[5]C[5])(CH3)(CCH){1|C<3>,1|O<1>}	C(C[5]C[5]O[5]C)(CHH)(H)	O[5](C[5]C[5]CC)(C[5]N[5]O){1|C<3>,1|O<1>}	107.9980	0.000	1	107.9980	0.000	1	107.5055	0.485	2	107.5055	0.485	2	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	3:3:2:3:	4:2:1:	4:3:	C[5]-3:C[6a]-3:O[5]-2:C-3:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(COO)	C(C[5]C[6a]C[5]O[5])(OC)(O)	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(COO){1|O<1>,3|H<1>,4|C<3>}	C(C[5]C[6a]C[5]O[5])(OC)(O)	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O){1|H<1>,3|C<3>}	108.1210	0.000	1	108.1210	0.000	1	108.1210	0.000	1	108.1210	0.000	1	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	3:3:2:3:	4:3:1:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:C-3:	C[5]-4:C[6a]-3:O-1:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(CC[6a]O)	C(C[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]2)(O)	O[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(CC[6a]O){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]2)(O)	O[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]O){4|C<3>}	104.4910	0.000	1	104.4910	0.000	1	104.4910	0.000	1	104.4910	0.000	1	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	3:3:2:3:	4:3:3:	3:4:	C[5]-3:C[6a]-3:O[5]-2:C-3:	C[5]-4:C[6a]-3:C-3:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]C)(C[6a]C[6a]2)(O[5]C[5,6a])(CC[6a]C)	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(CC[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)	C[5](C[5]C[5,6a]C)(C[6a]C[6a]2)(O[5]C[5,6a])(CC[6a]C){2|H<1>,4|C<3>}	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(CC[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C){1|H<1>,5|C<3>}	108.4198	1.264	4	108.4198	1.598	4	108.4198	1.598	4	108.4198	1.598	4	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	3:4:2:3:	4:2:1:	4:3:	C[5,6a]-3:C-4:O[5]-2:C-3:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]CH)(O[5]C[5])(COO)	C(C[5]C[5,6a]O[5]C)(OH)(O)	O[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O)	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>}	C(C[5]C[5,6a]O[5]C)(OH)(O)	O[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O){2|C<3>}	107.9690	0.000	1	107.9690	0.000	1	107.4590	0.520	2	106.5152	1.752	4	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	3:4:2:3:	4:2:1:	4:3:	C[5,6a]-3:C-4:O[5]-2:C-3:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]HH)(O[5]C[5])(COO)	C(C[5]C[5,6a]O[5]C)(OC)(O)	O[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O)	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>}	C(C[5]C[5,6a]O[5]C)(OC)(O)	O[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O){2|C<3>}	106.9490	0.000	1	106.9490	0.000	1	107.4590	0.520	2	106.5152	1.752	4	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	3:4:2:3:	4:2:1:	4:3:	C[5]-3:C-4:O[5]-2:C-3:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(CC[6a]HH)(O[5]C[5])(COO)	C(C[5]C[5]O[5]C)(OC)(O)	O[5](C[5]C[5]CC)(C[5]C[5]O)	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>}	C(C[5]C[5]O[5]C)(OC)(O)	O[5](C[5]C[5]CC)(C[5]C[5]O){1|C<3>,1|O<2>}	105.5715	1.083	2	105.5715	1.172	2	105.5715	1.172	2	106.5152	1.752	4	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	3:4:2:3:	4:3:1:	4:3:	C[6a]-3:C[5]-4:O[5]-2:C-3:	C[5]-4:C[6a]-3:O-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CC[6a]O)	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(O)	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CC[6a]O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(O)	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O){1|C<4>,2|H<1>,3|C<3>}	109.2150	0.000	1	109.2150	0.000	1	109.2150	0.000	1	109.2150	0.000	1	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:1:	3:4:1:	4:3:	C[5]-4:O[5]-2:C-3:H-1:	C[5a]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(CC[5a]O)(H)	C(C[5a]C[5a]S[5a])(C[5]C[5]O[5]H)(O)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(CC[5a]O)(H){1|O<1>,2|H<1>}	C(C[5a]C[5a]S[5a])(C[5]C[5]O[5]H)(O)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,3|H<1>}	108.4560	0.000	1	108.4560	0.000	1	108.4560	0.000	1	108.4560	0.000	1	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:1:	3:4:3:	4:3:	C[5]-4:O[5]-2:C-3:H-1:	C[5a]-3:C[5]-4:C-3:	C[5]-4:C[5]-3:	C[5](C[5]C[4]N[5]C)(O[5]C[5])(CC[5a]C)(H)	C(C[5a]C[5a]O[5a])(C[5]C[5]O[5]H)(CHH)	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]C[4]N[5]C)(O[5]C[5])(CC[5a]C)(H){1|H<1>,1|O<1>,3|C<4>}	C(C[5a]C[5a]O[5a])(C[5]C[5]O[5]H)(CHH)	O[5](C[5]C[5]CH)(C[5]N[5]O){3|C<4>}	110.3770	0.000	1	110.3770	0.000	1	110.3770	0.000	1	110.3770	0.000	1	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:1:	4:2:1:	3:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:O-2:O-1:	B[5]-3:C[5]-4:	C[5](C[5]O[5]CH)(O[5]B[5])(COO)(H)	C(C[5]C[5]O[5]H)(OC)(O)	O[5](B[5]B[5]O[5])(C[5]C[5]CH)	C[5](C[5]O[5]CH)(O[5]B[5])(COO)(H){1|B<3>}	C(C[5]C[5]O[5]H)(OC)(O)	O[5](B[5]B[5]O[5])(C[5]C[5]CH){1|C<3>,1|H<1>,2|O<2>}	109.6499	1.814	8	109.6499	3.292	8	109.6499	3.292	8	109.4691	2.421	12	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:1:	4:2:1:	3:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:O-2:O-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(COO)(H)	C(C[5]C[5]O[5]H)(OC)(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(COO)(H){2|C<3>}	C(C[5]C[5]O[5]H)(OC)(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){1|C<4>,2|C<3>,2|H<1>}	108.3580	0.000	1	108.3580	0.000	1	108.2825	0.011	2	109.4691	2.421	12	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:1:	4:2:1:	3:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:O-2:O-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HN)(O[5]C[5,6a])(COO)(H)	C(C[5]C[5]O[5]H)(OC)(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]HN)(O[5]C[5,6a])(COO)(H){2|C<3>}	C(C[5]C[5]O[5]H)(OC)(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){1|N<3>,2|C<3>,2|H<1>}	108.2070	0.000	1	108.2070	0.000	1	108.2825	0.011	2	109.4691	2.421	12	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:1:	4:2:1:	3:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:O-2:O-1:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CO)(O[5]C[5])(COO)(H)	C(C[5]C[5]O[5]H)(OC)(O)	O[5](C[5]C[6a]N[5])(C[5]C[5]CH)	C[5](C[5]N[5]CO)(O[5]C[5])(COO)(H){1|C<3>}	C(C[5]C[5]O[5]H)(OC)(O)	O[5](C[5]C[6a]N[5])(C[5]C[5]CH){1|C<4>,1|O<2>,2|C<3>}	109.9325	0.258	2	109.9325	0.067	2	109.9325	0.067	2	109.4691	2.421	12	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:1:	4:2:1:	4:2:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:O-2:O-1:	C[5]-4:N[5]-2:	C[5](C[5]C[5]CH)(O[5]N[5])(COO)(H)	C(C[5]C[5]O[5]H)(OC)(O)	O[5](C[5]C[5]CH)(N[5]C[5])	C[5](C[5]C[5]CH)(O[5]N[5])(COO)(H){1|C<3>}	C(C[5]C[5]O[5]H)(OC)(O)	O[5](C[5]C[5]CH)(N[5]C[5]){1|H<1>,2|C<3>}	109.5830	0.000	1	109.5830	0.000	1	108.4990	2.350	2	108.4990	2.350	2	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:1:	4:2:1:	4:2:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:O-2:O-1:	C[5]-4:N[5]-2:	C[5](C[5]C[5]CH)(O[5]N[5])(COO)(H)	C(C[5]C[5]O[5]H)(OC[6])(O)	O[5](C[5]C[5]CH)(N[5]C[5])	C[5](C[5]C[5]CH)(O[5]N[5])(COO)(H){1|C<3>}	C(C[5]C[5]O[5]H)(OC[6])(O)	O[5](C[5]C[5]CH)(N[5]C[5]){1|H<1>,2|C<3>}	107.4150	0.000	1	107.4150	0.000	1	108.4990	2.350	2	108.4990	2.350	2	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:1:	4:2:1:	4:3:	C[5,5]-4:O[5]-2:C-3:H-1:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5])(COO)(H)	C(C[5]C[5,5]O[5]H)(OC)(O)	O[5](C[5]C[5,5]CH)(C[5]C[5]N)	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5])(COO)(H){1|C<2>,1|O<1>,2|C<3>,2|N<3>}	C(C[5]C[5,5]O[5]H)(OC)(O)	O[5](C[5]C[5,5]CH)(C[5]C[5]N){1|C<2>,2|C<3>}	108.2010	0.000	2	108.2010	0.000	2	108.2010	0.000	2	108.8475	1.349	23	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:1:	4:2:1:	4:3:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(COO)(H)	C(C[5]C[5,6]O[5]H)(OC)(O)	O[5](C[5]C[5,6]CH)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(COO)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C(C[5]C[5,6]O[5]H)(OC)(O)	O[5](C[5]C[5,6]CH)(C[5]C[5,6]O){1|H<1>,3|C<4>}	108.3340	0.000	1	108.3340	0.000	1	107.7905	0.591	2	108.8475	1.349	23	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:1:	4:2:1:	4:3:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(COO)(H)	C(C[5]C[5,6]O[5]H)(OC)(O)	O[5](C[5]C[5,6]CH)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(COO)(H){1|C<3>,1|O<1>,4|C<4>}	C(C[5]C[5,6]O[5]H)(OC)(O)	O[5](C[5]C[5,6]CH)(C[5]C[5,6]O){1|C<3>,1|H<1>,2|C<4>}	107.2470	0.000	1	107.2470	0.000	1	107.7905	0.591	2	108.8475	1.349	23	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:1:	4:2:1:	4:3:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C-2:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(CCH)(H)	C(C[5]C[5]O[5]H)(CC)(H)	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]N[5]CH)(O[5]C[5])(CCH)(H){1|O<1>,1|S<4>}	C(C[5]C[5]O[5]H)(CC)(H)	O[5](C[5]C[5]CH)(C[5]N[5]O){1|C<4>,1|H<1>,1|S<4>}	109.2080	0.000	1	109.2080	0.000	1	109.2080	0.000	1	108.8475	1.349	23	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:1:	4:2:1:	4:3:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CO)(O[5]C[5])(COO)(H)	C(C[5]C[5]O[5]H)(OC)(O)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]CO)(O[5]C[5])(COO)(H){1|H<1>,1|O<1>,1|O<2>}	C(C[5]C[5]O[5]H)(OC)(O)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,1|H<1>,2|O<2>}	107.8810	0.000	1	108.4263	0.473	3	108.5488	1.644	11	108.8475	1.349	23	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:1:	4:2:1:	4:3:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CO)(O[5]C[5])(COO)(H)	C(C[5]C[5]O[5]H)(OC)(O)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]CO)(O[5]C[5])(COO)(H){1|O<1>,2|H<1>}	C(C[5]C[5]O[5]H)(OC)(O)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<3>,1|O<2>,2|H<1>}	108.6990	0.707	2	108.4263	0.473	3	108.5488	1.644	11	108.8475	1.349	23	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:1:	4:2:1:	4:3:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CO)(O[5]C[5])(COO)(H)	C(C[5]C[5]O[5]H)(OH)(O)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]CO)(O[5]C[5])(COO)(H){1|O<1>,2|H<1>}	C(C[5]C[5]O[5]H)(OH)(O)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<3>,1|O<2>,2|H<1>}	108.8920	1.994	2	108.8920	3.976	2	108.5488	1.644	11	108.8475	1.349	23	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:1:	4:2:1:	4:3:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(COO)(H)	C(C[5]C[5]O[5]H)(OC)(O)	O[5](C[5]C[5]CH)(C[5]C[5]C)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(COO)(H){1|C<4>,3|C<3>}	C(C[5]C[5]O[5]H)(OC)(O)	O[5](C[5]C[5]CH)(C[5]C[5]C){1|H<1>,2|C<3>}	109.1590	0.000	1	109.1590	0.000	1	108.5488	1.644	11	108.8475	1.349	23	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:1:	4:2:1:	4:3:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(COO)(H)	C(C[5]C[5]O[5]H)(OC)(O)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(COO)(H){1|H<1>,1|O<1>,3|C<3>}	C(C[5]C[5]O[5]H)(OC)(O)	O[5](C[5]C[5]CH)(C[5]C[5]O){2|C<3>,2|H<1>}	107.4167	1.053	3	107.4167	1.108	3	108.5488	1.644	11	108.8475	1.349	23	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:1:	4:2:1:	4:3:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(COO)(H)	C(C[5]C[5]O[5]H)(OH)(O)	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(COO)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5]O[5]H)(OH)(O)	O[5](C[5]C[5]CH)(C[5]N[5]O){1|C<3>,2|H<1>}	108.8450	0.000	1	108.8450	0.000	1	108.5488	1.644	11	108.8475	1.349	23	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:1:	4:2:1:	4:3:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(COO)(H)	C(C[5]C[5]O[5]H)(OH)(O)	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]N[5]CH)(O[5]C[5])(COO)(H){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(OH)(O)	O[5](C[5]C[5]CH)(C[5]N[5]O){1|C<4>,2|H<1>}	110.7200	0.000	1	110.7200	0.000	1	108.5488	1.644	11	108.8475	1.349	23	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:1:	4:2:1:	4:3:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:S-2:O-1:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(COS)(H)	C(C[5]C[5]O[5]H)(SC[6a])(O)	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(COS)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5]O[5]H)(SC[6a])(O)	O[5](C[5]C[5]CH)(C[5]N[5]O){1|C<3>,2|H<1>}	110.0690	0.129	2	110.0690	0.017	2	109.7521	0.456	7	108.8475	1.349	23	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:1:	4:2:1:	4:3:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:S-2:O-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(COS)(H)	C(C[5]C[5]O[5]H)(SC[6a])(O)	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]N[5]CH)(O[5]C[5])(COS)(H){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(SC[6a])(O)	O[5](C[5]C[5]CH)(C[5]N[5]O){1|C<4>,2|H<1>}	109.6150	0.850	2	109.4390	0.580	4	109.7521	0.456	7	108.8475	1.349	23	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:1:	4:2:1:	4:3:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:S-2:O-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(COS)(H)	C(C[5]C[5]O[5]H)(SC[6a])(O)	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]N[5]CH)(O[5]C[5])(COS)(H){1|O<1>}	C(C[5]C[5]O[5]H)(SC[6a])(O)	O[5](C[5]C[5]CH)(C[5]N[5]O){1|C<4>,1|H<1>}	108.5940	0.000	1	109.4390	0.580	4	109.7521	0.456	7	108.8475	1.349	23	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:1:	4:2:1:	4:3:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:S-2:O-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(COS)(H)	C(C[5]C[5]O[5]H)(SC[6a])(O)	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]N[5]CH)(O[5]C[5])(COS)(H){1|O<2>}	C(C[5]C[5]O[5]H)(SC[6a])(O)	O[5](C[5]C[5]CH)(C[5]N[5]O){1|C<4>,1|H<1>}	109.9320	0.000	1	109.4390	0.580	4	109.7521	0.456	7	108.8475	1.349	23	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:1:	4:2:1:	4:3:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:S-2:O-1:	C[5]-4:C[5]-3:	C[5](C[5]O[5]CH)(O[5]C[5])(COS)(H)	C(C[5]C[5]O[5]H)(SC[6a])(O)	O[5](C[5]C[5]CH)(C[5]O[5]O)	C[5](C[5]O[5]CH)(O[5]C[5])(COS)(H){1|O<1>}	C(C[5]C[5]O[5]H)(SC[6a])(O)	O[5](C[5]C[5]CH)(C[5]O[5]O){1|C<4>,1|H<1>}	110.3710	0.000	1	110.3710	0.000	1	109.7521	0.456	7	108.8475	1.349	23	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:1:	4:3:1:	3:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HN)(O[5]C[5,6a])(CCH)(H)	C(C[5]C[5]O[5]H)(CCH)(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]HN)(O[5]C[5,6a])(CCH)(H){2|C<3>}	C(C[5]C[5]O[5]H)(CCH)(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){1|N<3>,2|C<3>,2|H<1>}	109.8420	0.788	3	109.8420	0.621	3	109.8420	0.621	3	108.4491	2.328	38	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:1:	4:3:1:	3:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C-3:H-1:	C[5]-3:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5])(CCH)(H)	C(C[5]C[5]O[5]H)(CHH)(H)	O[5](C[5]C[5,6]C)(C[5]C[5]CH)	C[5](C[5]C[5,6]HH)(O[5]C[5])(CCH)(H){3|C<3>}	C(C[5]C[5]O[5]H)(CHH)(H)	O[5](C[5]C[5,6]C)(C[5]C[5]CH){2|C<3>,2|H<1>}	108.2755	0.490	2	108.2755	0.240	2	107.8765	0.292	4	108.4491	2.328	38	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:1:	4:3:1:	3:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C-3:H-1:	C[5]-3:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCH)(H)	C(C[5]C[5]O[5]H)(CHH)(H)	O[5](C[5]C[6a]C[5])(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCH)(H){2|C<3>}	C(C[5]C[5]O[5]H)(CHH)(H)	O[5](C[5]C[6a]C[5])(C[5]C[5]CH){2|H<1>,3|C<3>}	107.4775	0.011	2	107.4775	0.000	2	107.8765	0.292	4	108.4491	2.328	38	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:1:	4:3:1:	3:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C[6a]-3:O-1:	C[5,6]-3:C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(O[5]C[5,6])(CC[6a]O)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(O)	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH)	C[5](C[5]C[5,6]C[6a]H)(O[5]C[5,6])(CC[6a]O)(H){1|C<4>,3|C<3>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(O)	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH){1|C<4>,2|C<3>,3|H<1>}	107.3332	2.367	4	107.3332	5.604	4	107.3332	5.604	4	108.4491	2.328	38	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:1:	4:3:1:	3:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C[6a]-3:O-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(CC[6a]O)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(CC[6a]O)(H){2|C<3>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){1|C<2>,2|C<3>,2|H<1>}	107.8770	0.000	1	107.6202	3.979	5	108.0212	2.130	18	108.4491	2.328	38	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:1:	4:3:1:	3:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C[6a]-3:O-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(CC[6a]O)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(CC[6a]O)(H){2|C<3>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){1|C<4>,2|C<3>,2|H<1>}	107.0617	2.540	3	107.6202	3.979	5	108.0212	2.130	18	108.4491	2.328	38	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:1:	4:3:1:	3:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C[6a]-3:O-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(CC[6a]O)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(CC[6a]O)(H){2|C<3>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){2|H<1>,3|C<3>}	109.0390	0.000	1	107.6202	3.979	5	108.0212	2.130	18	108.4491	2.328	38	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:1:	4:3:1:	3:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C[6a]-3:O-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CC[6a]O)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CC[6a]O)(H){4|C<3>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){2|H<1>,3|C<3>}	107.6545	2.269	4	107.6545	5.147	4	108.0212	2.130	18	108.4491	2.328	38	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:1:	4:3:1:	3:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C[6a]-3:O-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CC[6a]O)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(O)	O[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CC[6a]O)(H){1|N<2>,3|C<3>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(O)	O[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH){1|H<1>,3|C<3>}	108.1200	0.000	1	108.1200	0.000	1	108.0212	2.130	18	108.4491	2.328	38	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:1:	4:3:1:	3:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C[6a]-3:O-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CC[6a]O)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(O)	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CC[6a]O)(H){4|C<3>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(O)	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]CH){1|H<1>,4|C<3>}	108.1364	0.424	5	108.1364	0.180	5	108.0212	2.130	18	108.4491	2.328	38	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:1:	4:3:1:	3:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C[6a]-3:O-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HN)(O[5]C[5,6a])(CC[6a]O)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]HN)(O[5]C[5,6a])(CC[6a]O)(H){2|C<3>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	109.1530	0.000	1	109.0740	0.012	2	108.0212	2.130	18	108.4491	2.328	38	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:1:	4:3:1:	3:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C[6a]-3:O-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HN)(O[5]C[5,6a])(CC[6a]O)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]HN)(O[5]C[5,6a])(CC[6a]O)(H){2|C<3>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){1|N<3>,2|C<3>,2|H<1>}	108.9950	0.000	1	109.0740	0.012	2	108.0212	2.130	18	108.4491	2.328	38	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:1:	4:3:1:	3:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C[6a]-3:O-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HO)(O[5]C[5,6a])(CC[6a]O)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]HO)(O[5]C[5,6a])(CC[6a]O)(H){2|C<3>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){1|O<2>,2|C<3>,2|H<1>}	108.7120	0.000	1	108.7120	0.000	1	108.0212	2.130	18	108.4491	2.328	38	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:1:	4:3:1:	3:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C[6a]-3:O-1:	C[5]-3:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5])(CC[6a]O)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(O)	O[5](C[5]C[5,5]O)(C[5]C[5]CH)	C[5](C[5]C[5,5]HO)(O[5]C[5])(CC[6a]O)(H){1|C<3>,1|O<1>,1|O<2>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(O)	O[5](C[5]C[5,5]O)(C[5]C[5]CH){1|C<3>,1|H<1>,2|O<2>}	109.2170	0.853	2	109.2170	0.727	2	109.5911	0.483	9	108.4491	2.328	38	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:1:	4:3:1:	3:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C[6a]-3:O-1:	C[5]-3:C[5]-4:	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC[6a]O)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(O)	O[5](C[5]C[5a]C[5])(C[5]C[5]CH)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC[6a]O)(H){1|C<2>,3|C<3>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(O)	O[5](C[5]C[5a]C[5])(C[5]C[5]CH){1|C<2>,1|H<1>,3|C<3>}	109.9260	0.678	5	109.9260	0.460	5	109.5911	0.483	9	108.4491	2.328	38	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:1:	4:3:1:	3:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C[6a]-3:O-1:	C[5]-3:C[5]-4:	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC[6a]O)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(O)	O[5](C[5]C[6a]C[5])(C[5]C[5]CH)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC[6a]O)(H){1|C<2>,3|C<3>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(O)	O[5](C[5]C[6a]C[5])(C[5]C[5]CH){1|C<2>,1|H<1>,3|C<3>}	109.1280	0.165	2	109.1280	0.027	2	109.5911	0.483	9	108.4491	2.328	38	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:1:	4:3:1:	4:2:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C-3:H-1:	C[5]-4:N[5]-2:	C[5](C[5]C[5]HH)(O[5]N[5])(CCH)(H)	C(C[5]C[5]O[5]H)(CC[5a]H)(H)	O[5](C[5]C[5]CH)(N[5]C[5])	C[5](C[5]C[5]HH)(O[5]N[5])(CCH)(H){1|C<3>}	C(C[5]C[5]O[5]H)(CC[5a]H)(H)	O[5](C[5]C[5]CH)(N[5]C[5]){1|C<3>,2|H<1>}	108.9790	0.000	1	108.9790	0.000	1	108.9790	0.000	1	108.9790	0.000	1	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:1:	4:3:1:	4:3:	C[5,5]-4:O[5]-2:C-3:H-1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,6a]C[5,5]H)(O[5]C[5])(CCH)(H)	C(C[5]C[5,5]O[5]H)(CC[6a]H)(H)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]O)	C[5](C[5,5]C[5,6a]C[5,5]H)(O[5]C[5])(CCH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,5]O[5]H)(CC[6a]H)(H)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]O){1|C<3>,1|C<4>,2|H<1>}	108.4280	2.216	6	108.4280	4.912	6	108.4280	4.912	6	108.8349	2.599	34	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:1:	4:3:1:	4:3:	C[5,5]-4:O[5]-2:C-3:H-1:	C[5]-4:C[6a]-3:O-1:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5])(CC[6a]O)(H)	C(C[5]C[5,5]O[5]H)(C[6a]C[6a]2)(O)	O[5](C[5]C[5,5]CH)(C[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5])(CC[6a]O)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	C(C[5]C[5,5]O[5]H)(C[6a]C[6a]2)(O)	O[5](C[5]C[5,5]CH)(C[5]C[5]C){3|C<3>}	109.4190	0.000	1	109.4190	0.000	1	107.9393	1.686	3	108.8349	2.599	34	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:1:	4:3:1:	4:3:	C[5,5]-4:O[5]-2:C-3:H-1:	C[5]-4:C[6a]-3:O-1:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5])(CC[6a]O)(H)	C(C[5]C[5,5]O[5]H)(C[6a]C[6a]2)(O)	O[5](C[5]C[5,5]CH)(C[5]C[5]N)	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5])(CC[6a]O)(H){1|C<2>,1|O<1>,2|C<3>,2|N<3>}	C(C[5]C[5,5]O[5]H)(C[6a]C[6a]2)(O)	O[5](C[5]C[5,5]CH)(C[5]C[5]N){1|C<2>,2|C<3>}	107.1995	0.296	2	107.1995	0.088	2	107.9393	1.686	3	108.8349	2.599	34	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:1:	4:3:1:	4:3:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCH)(H)	C(C[5]C[5,6]O[5]H)(CHH)(H)	O[5](C[5]C[5,6]CH)(C[5]C[5,6]C)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCH)(H){1|H<1>,2|C<3>,2|C<4>}	C(C[5]C[5,6]O[5]H)(CHH)(H)	O[5](C[5]C[5,6]CH)(C[5]C[5,6]C){1|C<3>,1|H<1>,2|C<4>}	108.5955	0.087	2	108.5955	0.008	2	108.5955	0.008	2	108.8349	2.599	34	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:1:	4:3:1:	4:3:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5]-4:C-3:O-1:	C[5]-4:C[5]-3:	C[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(CCO)(H)	C(C[5]C[5,6]O[5]H)(CCH)(O)	O[5](C[5]C[5,6]CH)(C[5]C[5,6]O)	C[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(CCO)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6]O[5]H)(CCH)(O)	O[5](C[5]C[5,6]CH)(C[5]C[5,6]O){1|C<3>,1|C<4>,2|H<1>}	107.7345	0.600	4	107.7345	0.359	4	107.7345	0.359	4	108.8349	2.599	34	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:1:	4:3:1:	4:3:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5]-4:C[6a]-3:O-1:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CC[6a]O)(H)	C(C[5]C[5,6]O[5]H)(C[6a]C[6a]2)(O)	O[5](C[5]C[5,6]CH)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CC[6a]O)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C(C[5]C[5,6]O[5]H)(C[6a]C[6a]2)(O)	O[5](C[5]C[5,6]CH)(C[5]C[5,6]O){1|C<3>,1|C<4>,2|H<1>}	108.8820	0.000	1	108.8820	0.000	1	108.8820	0.000	1	108.8349	2.599	34	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:1:	4:3:1:	4:3:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(CCH)(H)	C(C[5]C[5]O[5]H)(CCC)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(CCH)(H){1|C<3>,1|O<1>}	C(C[5]C[5]O[5]H)(CCC)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<3>,1|C<4>,1|H<1>}	108.5677	1.556	3	109.1167	1.452	6	109.4191	2.771	11	108.8349	2.599	34	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:1:	4:3:1:	4:3:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(CCH)(H)	C(C[5]C[5]O[5]H)(CCC)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(CCH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(CCC)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O){2|C<4>,2|H<1>}	109.6657	0.552	3	109.1167	1.452	6	109.4191	2.771	11	108.8349	2.599	34	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:1:	4:3:1:	4:3:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(CCH)(H)	C(C[5]C[5]O[5]H)(CC[3]C)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(CCH)(H){1|C<3>,1|O<1>}	C(C[5]C[5]O[5]H)(CC[3]C)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<3>,1|C<4>,1|H<1>}	111.9380	1.278	2	111.9380	1.634	2	109.4191	2.771	11	108.8349	2.599	34	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:1:	4:3:1:	4:3:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(CCH)(H)	C(C[5]C[5]O[5]H)(CCC)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(CCH)(H){1|C<4>,1|O<1>,1|O<2>}	C(C[5]C[5]O[5]H)(CCC)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,1|O<2>,2|H<1>}	108.1220	0.000	1	108.1220	0.000	1	109.4191	2.771	11	108.8349	2.599	34	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:1:	4:3:1:	4:3:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CCH)(H)	C(C[5]C[5]O[5]H)(CHH)(H)	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CCH)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5]O[5]H)(CHH)(H)	O[5](C[5]C[5]CH)(C[5]N[5]O){1|C<3>,2|H<1>}	109.4660	0.000	1	109.4660	0.000	1	109.4191	2.771	11	108.8349	2.599	34	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:1:	4:3:1:	4:3:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(CCH)(H)	C(C[5]C[5]O[5]H)(CC[6a]C)(H)	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]N[5]CH)(O[5]C[5])(CCH)(H){1|O<1>,1|S<4>}	C(C[5]C[5]O[5]H)(CC[6a]C)(H)	O[5](C[5]C[5]CH)(C[5]N[5]O){1|C<4>,1|H<1>,1|S<4>}	107.4460	0.000	1	107.4460	0.000	1	109.4191	2.771	11	108.8349	2.599	34	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:1:	4:3:1:	4:3:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C[6]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(CC[6]H)(H)	C(C[5]C[5]O[5]H)(C[6]C[6]2)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(CC[6]H)(H){1|O<1>,2|C<3>}	C(C[5]C[5]O[5]H)(C[6]C[6]2)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O){2|C<3>,2|H<1>}	109.0820	0.000	1	109.0820	0.000	1	109.0820	0.000	1	108.8349	2.599	34	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:1:	4:3:1:	4:3:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C[6a]-3:O-1:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC[6a]O)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(O)	O[5](C[5]C[5]CH)(C[5]C[5]C)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC[6a]O)(H){1|C<4>,3|C<3>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(O)	O[5](C[5]C[5]CH)(C[5]C[5]C){1|H<1>,2|C<3>}	107.9020	0.000	1	107.9020	0.000	1	109.4765	3.673	4	108.8349	2.599	34	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:1:	4:3:1:	4:3:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C[6a]-3:O-1:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC[6a]O)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(O)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC[6a]O)(H){1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(O)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<3>,3|H<1>}	108.9210	0.000	1	108.9210	0.000	1	109.4765	3.673	4	108.8349	2.599	34	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:1:	4:3:1:	4:3:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C[6a]-3:O-1:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CC[6a]O)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(O)	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CC[6a]O)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(O)	O[5](C[5]C[5]CH)(C[5]N[5]O){1|C<3>,2|H<1>}	110.5415	2.442	2	110.5415	5.962	2	109.4765	3.673	4	108.8349	2.599	34	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:1:	4:3:1:	4:3:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:N-3:O-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(CNO)(H)	C(C[5]C[5]O[5]H)(NCH)(O)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(CNO)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(NCH)(O)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<3>,3|H<1>}	110.6000	0.000	1	110.6000	0.000	1	110.6000	0.000	1	108.8349	2.599	34	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:1:	4:3:1:	4:3:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:N[6]-3:O-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(CN[6]O)(H)	C(C[5]C[5]O[5]H)(N[6]C[6]2)(O)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(CN[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(N[6]C[6]2)(O)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<3>,1|C<4>,2|H<1>}	107.7930	0.000	1	107.7930	0.000	1	107.7930	0.000	1	108.8349	2.599	34	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:1:	4:3:3:	3:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C-3:C-3:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]CO)(O[5]C[5,6a])(CCC)(H)	C(C[5]C[5]O[5]H)(CHH)(COO)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]CO)(O[5]C[5,6a])(CCC)(H){2|C<3>}	C(C[5]C[5]O[5]H)(CHH)(COO)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){1|H<1>,1|O<2>,3|C<3>}	109.1560	0.000	1	109.1560	0.000	1	109.0310	0.031	2	109.9142	0.531	6	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:1:	4:3:3:	3:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C-3:C-3:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HN)(O[5]C[5,6a])(CCC)(H)	C(C[5]C[5]O[5]H)(CHH)(COO)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]HN)(O[5]C[5,6a])(CCC)(H){2|C<3>}	C(C[5]C[5]O[5]H)(CHH)(COO)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){1|N<3>,2|C<3>,2|H<1>}	108.9060	0.000	1	108.9060	0.000	1	109.0310	0.031	2	109.9142	0.531	6	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:1:	4:3:3:	3:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C[6a]-3:C-3:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CC[6a]C)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CHH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CC[6a]C)(H){2|C<3>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CHH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){2|C<3>,3|H<1>}	110.2720	0.000	1	110.2720	0.000	1	110.2515	0.001	2	109.9142	0.531	6	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:1:	4:3:3:	3:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C[6a]-3:C-3:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CC[6a]C)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CHH)	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CC[6a]C)(H){2|C<3>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CHH)	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]CH){2|H<1>,3|C<3>}	110.2310	0.000	1	110.2310	0.000	1	110.2515	0.001	2	109.9142	0.531	6	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:1:	4:3:3:	3:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C[6a]-3:C-3:	C[5]-3:C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(CC[6a]C)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CHH)	O[5](C[5]C[6a]N[5])(C[5]C[5]CH)	C[5](C[5]N[5]HH)(O[5]C[5])(CC[6a]C)(H){1|C<3>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CHH)	O[5](C[5]C[6a]N[5])(C[5]C[5]CH){2|C<3>,2|H<1>}	110.4600	0.489	2	110.4600	0.239	2	110.4600	0.239	2	109.9142	0.531	6	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:1:	4:3:3:	4:3:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C-3:C-3:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(O[5]C[5])(CCC)(H)	C(C[5]C[5]O[5]H)(CC[6a]C)(CCH)	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]N[5]HH)(O[5]C[5])(CCC)(H){1|C<4>,1|O<1>}	C(C[5]C[5]O[5]H)(CC[6a]C)(CCH)	O[5](C[5]C[5]CH)(C[5]N[5]O){1|C<4>,2|H<1>}	111.7430	0.000	1	111.7430	0.000	1	111.7430	0.000	1	111.7430	0.000	1	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:1:	4:4:1:	3:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C-4:O-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(CCO)(H)	C(C[5]C[5]O[5]H)(CH3)(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(CCO)(H){2|C<3>}	C(C[5]C[5]O[5]H)(CH3)(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){1|C<4>,2|C<3>,2|H<1>}	108.8660	0.000	1	108.8660	0.000	1	108.8660	0.000	1	108.8660	0.000	1	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:1:	4:4:1:	4:2:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C-4:O-1:	C[5]-4:N[5]-2:	C[5](C[5]C[5]CH)(O[5]N[5])(CCO)(H)	C(C[5]C[5]O[5]H)(CCHH)(O)	O[5](C[5]C[5]CH)(N[5]C[5])	C[5](C[5]C[5]CH)(O[5]N[5])(CCO)(H){1|C<3>}	C(C[5]C[5]O[5]H)(CCHH)(O)	O[5](C[5]C[5]CH)(N[5]C[5]){1|C<3>,1|C<4>,1|H<1>}	110.8980	0.000	1	110.8980	0.000	1	110.8980	0.000	1	110.8980	0.000	1	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:1:	4:4:3:	3:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C-4:C-3:	C[5,6]-3:C[5]-4:	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(CCC)(H)	C(C[5]C[5]O[5]H)(CH3)(CHH)	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH)	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(CCC)(H){2|C<3>}	C(C[5]C[5]O[5]H)(CH3)(CHH)	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	108.5970	0.000	1	108.5970	0.000	1	108.5970	0.000	1	109.4662	2.124	9	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:1:	4:4:3:	3:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C-4:C-3:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCC)(H)	C(C[5]C[5]O[5]H)(CH3)(CHH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCC)(H){2|C<3>}	C(C[5]C[5]O[5]H)(CH3)(CHH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){1|O<2>,2|C<3>,2|H<1>}	109.4870	2.300	2	109.7613	2.366	7	109.7613	2.366	7	109.4662	2.124	9	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:1:	4:4:3:	3:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C-4:C-3:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCC)(H)	C(C[5]C[5]O[5]H)(CH3)(CHH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCC)(H){2|C<3>}	C(C[5]C[5]O[5]H)(CH3)(CHH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){2|C<3>,3|H<1>}	109.8710	1.475	5	109.7613	2.366	7	109.7613	2.366	7	109.4662	2.124	9	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:1:	4:4:3:	3:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C-4:C-3:	C[5]-3:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5])(CCC)(H)	C(C[5]C[5]O[5]H)(CH3)(CHH)	O[5](C[5]C[5,6]O)(C[5]C[5]CH)	C[5](C[5]C[5,6]HH)(O[5]C[5])(CCC)(H){1|C<3>,1|C<4>,1|O<1>}	C(C[5]C[5]O[5]H)(CH3)(CHH)	O[5](C[5]C[5,6]O)(C[5]C[5]CH){1|C<3>,1|C<4>,2|H<1>}	108.2700	0.000	1	108.2700	0.000	1	108.2700	0.000	1	109.4662	2.124	9	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:2:	4:2:1:	4:2:	C[5]-4:O[5]-2:C-3:O-2:	C[5]-4:O-2:O-1:	C[5]-4:N[5]-2:	C[5](C[5]C[5]CH)(O[5]N[5])(COO)(OH)	C(C[5]C[5]O[5]O)(OC)(O)	O[5](C[5]C[5]CO)(N[5]C[5])	C[5](C[5]C[5]CH)(O[5]N[5])(COO)(OH){1|C<3>}	C(C[5]C[5]O[5]O)(OC)(O)	O[5](C[5]C[5]CO)(N[5]C[5]){1|C<3>,1|C<4>,1|H<1>}	104.8345	0.822	2	104.8345	0.676	2	104.8345	0.676	2	104.8345	0.676	2	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:2:	4:2:2:	3:4:	C[5]-4:O[5]-2:C-3:C-2:	C[5]-4:N-2:O-2:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CNO)(CN)	C(C[5]C[5]O[5]C)(NH)(OC)	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]CC)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CNO)(CN){4|C<3>}	C(C[5]C[5]O[5]C)(NH)(OC)	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]CC){1|H<1>,4|C<3>}	107.6220	0.000	1	107.6220	0.000	1	107.6220	0.000	1	107.6220	0.000	1	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:2:	4:3:1:	3:4:	C[5]-4:O[5]-2:C-3:C-2:	C[5]-4:N-3:O-1:	C[5,6]-3:C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(O[5]C[5,6])(CNO)(CN)	C(C[5]C[5]O[5]C)(NHH)(O)	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)	C[5](C[5]C[5,6]C[6a]H)(O[5]C[5,6])(CNO)(CN){1|C<4>,3|C<3>}	C(C[5]C[5]O[5]C)(NHH)(O)	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC){1|C<4>,2|C<3>,3|H<1>}	111.1600	0.000	1	111.1600	0.000	1	111.1600	0.000	1	111.1600	0.000	1	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:2:	4:3:1:	4:2:	C[5]-4:O[5]-2:C-3:O-2:	C[5]-4:C[6a]-3:O-1:	C[5]-4:N[5]-2:	C[5](C[5]C[5]CC)(O[5]N[5])(CC[6a]O)(OH)	C(C[5]C[5]O[5]O)(C[6a]C[6a]2)(O)	O[5](C[5]C[5]CO)(N[5]C[5])	C[5](C[5]C[5]CC)(O[5]N[5])(CC[6a]O)(OH){1|C<3>}	C(C[5]C[5]O[5]O)(C[6a]C[6a]2)(O)	O[5](C[5]C[5]CO)(N[5]C[5]){1|C<3>,2|C<4>}	108.0540	0.000	1	108.0540	0.000	1	108.0540	0.000	1	108.0540	0.000	1	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:2:	4:3:3:	4:3:	C[5]-4:O[5]-2:C-3:O-2:	C[5]-4:C-3:C-3:	C[5]-4:B[5]-3:	C[5](C[5]C[5]RuB)(O[5]B[5])(CCC)(OC)	C(C[5]C[5]O[5]O)(CHH)(COO)	O[5](C[5]C[5]CO)(B[5]C[5]C)	C[5](C[5]C[5]RuB)(O[5]B[5])(CCC)(OC){1|B<6>,1|C<4>}	C(C[5]C[5]O[5]O)(CHH)(COO)	O[5](C[5]C[5]CO)(B[5]C[5]C){1|Ru<11>,1|B<5>,1|B<6>}	107.7790	0.000	1	107.7790	0.000	1	107.7790	0.000	1	107.7790	0.000	1	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:3:	4:2:1:	3:4:	C[5]-4:O[5]-2:C-3:C-3:	C[5]-4:O-2:O-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HN)(O[5]C[5,6a])(CCO)(COO)	C(C[5]C[5]O[5]C)(OC)(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)	C[5](C[5]C[5,6a]HN)(O[5]C[5,6a])(CCO)(COO){2|C<3>}	C(C[5]C[5]O[5]C)(OC)(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC){1|N<3>,2|C<3>,2|H<1>}	107.9440	0.000	1	107.9440	0.000	1	107.9440	0.000	1	107.6130	0.219	2	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:3:	4:2:1:	3:4:	C[5]-4:O[5]-2:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-3:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CC[6a]O)(COO)	C(C[5]C[5]O[5]C)(OC)(O)	O[5](C[5]C[6a]C[5])(C[5]C[5]CC)	C[5](C[5]C[5]HH)(O[5]C[5])(CC[6a]O)(COO){2|C<3>}	C(C[5]C[5]O[5]C)(OC)(O)	O[5](C[5]C[6a]C[5])(C[5]C[5]CC){2|H<1>,3|C<3>}	107.2820	0.000	1	107.2820	0.000	1	107.2820	0.000	1	107.6130	0.219	2	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:3:	4:2:1:	4:2:	C[5]-4:O[5]-2:C-3:N-3:	C[5]-4:O-2:O-1:	C[5]-4:N[5]-2:	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(COO)(NCH)	C(C[5]C[5]O[5]N)(OH)(O)	O[5](C[5]C[5]CN)(N[5]C[5])	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(COO)(NCH){1|Br<1>,2|C<3>}	C(C[5]C[5]O[5]N)(OH)(O)	O[5](C[5]C[5]CN)(N[5]C[5]){1|Br<1>,1|C<3>,1|H<1>}	109.6850	0.000	1	109.6850	0.000	1	109.6850	0.000	1	109.6850	0.000	1	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:3:	4:2:1:	4:3:	C[5,6]-4:O[5]-2:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]O[6]H)(O[5]C[5])(COO)2	C(C[5]C[5,6]O[5]C)(OC)(O)	O[5](C[5]C[5,6]CC)(C[5]C[5,6]H)	C[5](C[5,6]C[5,6]O[6]H)(O[5]C[5])(COO)2{1|H<1>,2|C<3>}	C(C[5]C[5,6]O[5]C)(OC)(O)	O[5](C[5]C[5,6]CC)(C[5]C[5,6]H){1|C<3>,1|H<1>,1|O<2>}	107.6350	1.034	2	107.6350	1.069	2	107.6350	1.069	2	107.5498	0.220	6	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:3:	4:2:1:	4:3:	C[5]-4:O[5]-2:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CCH)(COO)	C(C[5]C[5]O[5]C)(OC)(O)	O[5](C[5]C[5]CC)(C[5]C[5]C)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CCH)(COO){1|H<1>,3|C<3>}	C(C[5]C[5]O[5]C)(OC)(O)	O[5](C[5]C[5]CC)(C[5]C[5]C){1|C<3>,2|H<1>}	107.5050	0.092	2	107.5050	0.008	2	107.5072	0.003	4	107.5498	0.220	6	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:3:	4:2:1:	4:3:	C[5]-4:O[5]-2:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(COO)2	C(C[5]C[5]O[5]C)(OC)(O)	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(COO)2{1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[5]O[5]C)(OC)(O)	O[5](C[5]C[5]CC)(C[5]C[5]O){1|C<3>,3|H<1>}	107.5095	0.009	2	107.5095	0.000	2	107.5072	0.003	4	107.5498	0.220	6	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:3:	4:2:2:	3:4:	C[5]-4:O[5]-2:C-3:C-3:	C[5]-4:N-2:O-2:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CNO)2	C(C[5]C[5]O[5]C)(NH)(OC)	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]CC)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CNO)2{4|C<3>}	C(C[5]C[5]O[5]C)(NH)(OC)	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]CC){1|H<1>,4|C<3>}	106.2995	0.166	2	106.2995	0.028	2	106.2995	0.028	2	106.2995	0.028	2	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:3:	4:3:1:	3:4:	C[5]-4:O[5]-2:C-3:C-3:	C[5]-4:C[6a]-3:O-1:	C[5]-3:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CC[6a]O)(COO)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(O)	O[5](C[5]C[6a]C[5])(C[5]C[5]CC)	C[5](C[5]C[5]HH)(O[5]C[5])(CC[6a]O)(COO){2|C<3>}	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(O)	O[5](C[5]C[6a]C[5])(C[5]C[5]CC){2|H<1>,3|C<3>}	108.9000	0.000	1	108.9000	0.000	1	108.9000	0.000	1	108.9000	0.000	1	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:3:	4:3:1:	4:3:	C[5]-4:O[5]-2:C-3:C-3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CCH)(COO)	C(C[5]C[5]O[5]C)(CC[6a]H)(H)	O[5](C[5]C[5]CC)(C[5]C[5]C)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CCH)(COO){1|H<1>,3|C<3>}	C(C[5]C[5]O[5]C)(CC[6a]H)(H)	O[5](C[5]C[5]CC)(C[5]C[5]C){1|C<3>,2|H<1>}	110.5275	0.047	2	110.5275	0.002	2	110.5275	0.002	2	110.5275	0.002	2	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:3:	4:4:1:	3:4:	C[5]-4:O[5]-2:C-3:C-3:	C[5]-4:C-4:O-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HN)(O[5]C[5,6a])(CCO)(COO)	C(C[5]C[5]O[5]C)(CH3)(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)	C[5](C[5]C[5,6a]HN)(O[5]C[5,6a])(CCO)(COO){2|C<3>}	C(C[5]C[5]O[5]C)(CH3)(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC){1|N<3>,2|C<3>,2|H<1>}	105.2470	0.000	1	105.2470	0.000	1	105.2470	0.000	1	105.2470	0.000	1	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:4:	4:3:1:	4:3:	C[5]-4:O[5]-2:C-3:C-4:	C[5]-4:C[6a]-3:O-1:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC[6a]O)(CF3)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(O)	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC[6a]O)(CF3){1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(O)	O[5](C[5]C[5]CC)(C[5]C[5]O){1|C<3>,3|H<1>}	111.0080	0.000	1	111.0080	0.000	1	111.0080	0.000	1	111.0080	0.000	1	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:3:4:	4:4:1:	4:2:	C[5]-4:O[5]-2:C-3:C-4:	C[5]-4:C[5]-4:O-1:	C[5]-4:N[5]-2:	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CC[5]O)(CCHH)	C(C[5]C[5]O[5]C)2(O)	O[5](C[5]C[5]CC)(N[5]C[5])	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CC[5]O)(CCHH){3|C<3>}	C(C[5]C[5]O[5]C)2(O)	O[5](C[5]C[5]CC)(N[5]C[5]){1|H<1>,2|C<3>}	107.4610	2.540	2	107.4610	6.451	2	107.4610	6.451	2	107.4610	6.451	2	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:4:3:	4:1:1:	4:3:	C[5,5,6]-4:O[5]-2:C-4:C-3:	C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,5,6]C[5,6]2O[5])(O[5]C[5])(CH3)(CHH)	C(C[5]C[5,5,6]O[5]C)(H)2	O[5](C[5]C[5,5,6]CC)(C[5]C[5,6]O)	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>}	C(C[5]C[5,5,6]O[5]C)(H)2	O[5](C[5]C[5,5,6]CC)(C[5]C[5,6]O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	107.1730	0.000	1	107.1730	0.000	1	107.1730	0.000	1	108.2447	3.272	3	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:4:3:	4:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-3:	C[5]-4:O-1:O-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(COO)	C(C[5]C[5]O[5]C)(O)2	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(COO){1|O<1>,2|H<1>}	C(C[5]C[5]O[5]C)(O)2	O[5](C[5]C[5]CC)(C[5]C[5]O){4|H<1>}	108.7805	2.196	2	108.7805	4.821	2	108.7805	4.821	2	108.2447	3.272	3	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:4:3:	4:2:1:	4:3:	C[5,5]-4:O[5]-2:C-4:C-3:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5])(CF3)(COO)	C(C[5]C[5,5]O[5]C)(OC)(O)	O[5](C[5]C[5,5]CC)(C[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5])(CF3)(COO){1|C<2>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[5]C[5,5]O[5]C)(OC)(O)	O[5](C[5]C[5,5]CC)(C[5]C[5]H){1|C<2>,2|C<3>}	106.7080	0.000	1	106.7080	0.000	1	106.7080	0.000	1	106.6513	2.785	6	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:4:3:	4:2:1:	4:3:	C[5,6]-4:O[5]-2:C-4:C-3:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)(COO)	C(C[5]C[5,6]O[5]C)(OC)(O)	O[5](C[5]C[5,6]CC)(C[5]C[5,6]O)	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>}	C(C[5]C[5,6]O[5]C)(OC)(O)	O[5](C[5]C[5,6]CC)(C[5]C[5,6]O){1|C<4>,1|N<3>,2|H<1>}	103.7220	0.000	1	103.7220	0.000	1	103.7220	0.000	1	106.6513	2.785	6	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:4:3:	4:2:1:	4:3:	C[5]-4:O[5]-2:C-4:C-3:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(COO)	C(C[5]C[5]O[5]C)(OC)(O)	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(COO){1|O<1>,2|H<1>}	C(C[5]C[5]O[5]C)(OC)(O)	O[5](C[5]C[5]CC)(C[5]C[5]O){1|C<3>,3|H<1>}	107.9010	0.635	2	107.9010	0.403	2	107.2353	1.531	3	106.6513	2.785	6	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:4:3:	4:2:1:	4:3:	C[5]-4:O[5]-2:C-4:C-3:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5a]C[5]H)(O[5]C[5])(CClCH)(COO)	C(C[5]C[5]O[5]C)(OC)(O)	O[5](C[5]C[5]CC)(C[5]C[5]O)	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>}	C(C[5]C[5]O[5]C)(OC)(O)	O[5](C[5]C[5]CC)(C[5]C[5]O){1|C<3>,3|H<1>}	105.9040	0.000	1	105.9040	0.000	1	107.2353	1.531	3	106.6513	2.785	6	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:4:3:	4:2:1:	4:3:	P[5]-4:O[5]-2:C-4:C-3:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-3:	C[5](P[5]C[5]OO)(O[5]C[5])(CH3)(COO)	C(C[5]O[5]P[5]C)(OH)(O)	O[5](C[5]P[5]CC)(C[5]C[5]O)	C[5](P[5]C[5]OO)(O[5]C[5])(CH3)(COO){1|C<4>,1|O<1>,1|O<2>}	C(C[5]O[5]P[5]C)(OH)(O)	O[5](C[5]P[5]CC)(C[5]C[5]O){1|C<4>,1|O<2>,2|O<1>}	107.7720	0.000	1	107.7720	0.000	1	107.7720	0.000	1	106.6513	2.785	6	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:4:3:	4:3:1:	4:3:	C[5]-4:O[5]-2:C-4:C-3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(CCH)	C(C[5]C[5]O[5]C)(CCH)(H)	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(CCH){1|O<1>,2|H<1>}	C(C[5]C[5]O[5]C)(CCH)(H)	O[5](C[5]C[5]CC)(C[5]C[5]O){1|O<2>,3|H<1>}	104.8830	0.000	1	104.8830	0.000	1	104.7170	0.055	2	104.7170	0.055	2	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:4:3:	4:3:1:	4:3:	C[5]-4:O[5]-2:C-4:C-3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CH3)(CCH)	C(C[5]C[5]O[5]C)(CC[6a]H)(H)	O[5](C[5]C[5]CC)(C[5]C[5]C)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CH3)(CCH){1|C<4>,3|C<3>}	C(C[5]C[5]O[5]C)(CC[6a]H)(H)	O[5](C[5]C[5]CC)(C[5]C[5]C){1|H<1>,2|C<3>}	104.5510	0.000	1	104.5510	0.000	1	104.7170	0.055	2	104.7170	0.055	2	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:2:4:3:	4:3:4:	3:4:	N[5]-4:O[5]-2:C-4:C-3:	C[5]-4:N-3:C-4:	C[5,6a]-3:C[5]-4:	C[5](N[5]C[5,6a]CdH)(O[5]C[5,6a])(CH3)(CCN)	C(C[5]N[5]O[5]C)(NC[6a]Cd)(CH3)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)	C[5](N[5]C[5,6a]CdH)(O[5]C[5,6a])(CH3)(CCN){2|C<3>}	C(C[5]N[5]O[5]C)(NC[6a]Cd)(CH3)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC){1|Cd<4>,1|C<4>,1|H<1>,2|C<3>}	106.1290	0.000	1	106.1290	0.000	1	106.1290	0.000	1	106.1290	0.000	1	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:3:2:3:	4:2:1:	3:4:	C[5]-4:C[5]-3:O[5]-2:C-3:	C[5]-4:O-2:O-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]C[5]N)(C[5]C[5,6a]O)(O[5]C[5,6a])(COO)	C(C[5]C[5]2O[5])(OC)(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)	C[5](C[5]C[5,6a]C[5]N)(C[5]C[5,6a]O)(O[5]C[5,6a])(COO){1|N<3>,1|O<1>,4|C<3>}	C(C[5]C[5]2O[5])(OC)(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	108.9010	3.009	2	108.9010	9.057	2	108.9010	9.057	2	108.0513	6.694	3	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:3:2:3:	4:2:1:	3:4:	C[5]-4:C[6a]-3:O[5]-2:C-3:	C[5]-4:O-2:O-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)(O[5]C[5,6a])(COO)	C(C[5]C[6a]C[5]O[5])(OH)(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)(O[5]C[5,6a])(COO){2|H<1>,4|C<3>}	C(C[5]C[6a]C[5]O[5])(OH)(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C){1|C<4>,2|H<1>,4|C<3>}	106.3520	0.000	1	106.3520	0.000	1	106.3520	0.000	1	108.0513	6.694	3	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:3:2:3:	4:3:1:	4:3:	C[5]-4:C[6a]-3:O[5]-2:C-3:	C[5]-4:C[6a]-3:O-1:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(CC[6a]O)	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(O)	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(CC[6a]O){1|O<1>,4|C<3>,4|H<1>}	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(O)	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O){3|C<3>,3|H<1>}	106.5170	0.000	1	106.5170	0.000	1	106.5170	0.000	1	106.5170	0.000	1	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:3:2:3:	4:3:3:	3:4:	C[5]-4:C[6a]-3:O[5]-2:C-3:	C[5]-4:C-3:C-3:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HN)(C[6a]C[6a]2)(O[5]C[5,6a])(CCC)	C(C[5]C[6a]C[5]O[5])(CHH)(COO)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)	C[5](C[5]C[5,6a]HN)(C[6a]C[6a]2)(O[5]C[5,6a])(CCC){2|H<1>,4|C<3>}	C(C[5]C[6a]C[5]O[5])(CHH)(COO)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C){1|N<3>,2|H<1>,4|C<3>}	105.1910	0.000	1	105.1910	0.000	1	105.1910	0.000	1	105.1910	0.000	1	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:3:2:3:	4:3:3:	4:3:	C[5,5]-4:C[6a]-3:O[5]-2:C-3:	C[5]-4:C-3:C-3:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(O[5]C[5])(CCC)	C(C[5]C[5,5]C[6a]O[5])(CHH)(COO)	O[5](C[5]C[5,5]C[6a]C)(C[5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(O[5]C[5])(CCC){1|C<2>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C(C[5]C[5,5]C[6a]O[5])(CHH)(COO)	O[5](C[5]C[5,5]C[6a]C)(C[5]C[6a]C[5]){1|C<2>,6|C<3>}	104.5950	0.375	2	104.5950	0.140	2	104.5950	0.140	2	104.5950	0.140	2	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:4:2:3:	4:1:1:	4:2:	C[6]-4:C[5]-4:O[5]-2:C-3:	C[5]-4:H-1:O-1:	C[5]-4:N[5]-2:	C[5](C[6]C[5a,6]N[6]H)(C[5]C[5]HH)(O[5]N[5])(CHO)	C(C[5]C[5]C[6]O[5])(H)(O)	O[5](C[5]C[5]C[6]C)(N[5]C[5])	C[5](C[6]C[5a,6]N[6]H)(C[5]C[5]HH)(O[5]N[5])(CHO){1|C<4>,1|N<3>,3|C<3>}	C(C[5]C[5]C[6]O[5])(H)(O)	O[5](C[5]C[5]C[6]C)(N[5]C[5]){1|N<3>,2|C<3>,3|H<1>}	106.3820	0.000	1	106.3820	0.000	1	106.3820	0.000	1	106.3820	0.000	1	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:4:2:3:	4:2:1:	4:2:	C-4:C[5]-4:O[5]-2:C-3:	C[5]-4:O-2:O-1:	C[5]-4:N[5]-2:	C[5](CC[6a]C[5]H)(C[5]C[5]HH)(O[5]N[5])(COO)	C(C[5]C[5]O[5]C)(OC)(O)	O[5](C[5]C[5]CC)(N[5]C[5])	C[5](CC[6a]C[5]H)(C[5]C[5]HH)(O[5]N[5])(COO){1|C<3>}	C(C[5]C[5]O[5]C)(OC)(O)	O[5](C[5]C[5]CC)(N[5]C[5]){1|C<3>,2|H<1>}	107.0810	0.000	1	107.0810	0.000	1	107.0810	0.000	1	107.2025	0.030	2	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:4:2:3:	4:2:1:	4:2:	C[5,5]-4:C-4:O[5]-2:C-3:	C[5]-4:O-2:O-1:	C[5]-4:N[5]-2:	C[5](C[5,5]C[5]2O[5])(CC[6a]HH)(O[5]N[5])(COO)	C(C[5]C[5,5]O[5]C)(OC)(O)	O[5](C[5]C[5,5]CC)(N[5]C[5])	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>}	C(C[5]C[5,5]O[5]C)(OC)(O)	O[5](C[5]C[5,5]CC)(N[5]C[5]){1|C<3>,1|C<4>,1|O<2>}	107.3240	0.000	1	107.3240	0.000	1	107.3240	0.000	1	107.2025	0.030	2	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP2	C[5]	C	O[5]	4:4:2:3:	4:3:1:	4:3:	C[5]-4:C-4:O[5]-2:C-3:	C[5]-4:N-3:O-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]C[5])(CNO)	C(C[5]C[5]O[5]C)(NCH)(O)	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]C[5])(CNO){1|O<1>,2|H<1>}	C(C[5]C[5]O[5]C)(NCH)(O)	O[5](C[5]C[5]CC)(C[5]C[5]O){4|H<1>}	108.7160	0.000	1	108.7160	0.000	1	108.7160	0.000	1	108.7160	0.000	1	108.4048	3.050	219	108.4529	3.378	321
474	930	976	0:SP3_SP2_SP3	C[3x5,6]	C	O[5,5]	4:4:2:3:	4:2:1:	4:4:	C[3x5,6,6]-4:C[4,5,5,6]-4:O[5,5]-2:C-3:	C[3x5,6]-4:O-2:O-1:	C[3x5,6]-4:C[3x5,6]-4:	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])(COO)	C(C[3x5,6]C[3x5,6,6]C[4,5,5,6]O[5,5])(OC)(O)	O[5,5](C[3x5,6]C[3x5,6,6]C[4,5,5,6]C)(C[3x5,6]C[3x5,6,6]C[4,5,5,6]O)	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])(COO){1|O<2>,3|C<4>,4|H<1>}	C(C[3x5,6]C[3x5,6,6]C[4,5,5,6]O[5,5])(OC)(O)	O[5,5](C[3x5,6]C[3x5,6,6]C[4,5,5,6]C)(C[3x5,6]C[3x5,6,6]C[4,5,5,6]O){4|C<4>,4|H<1>}	112.5250	0.000	1	112.5250	0.000	1	112.5250	0.000	1	113.0340	0.518	2	113.0340	0.518	2	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[3x5,6]	C	O[5,5]	4:4:2:3:	4:2:1:	4:4:	C[5,5,6,6]-4:C[5,5,6]-4:O[5,5]-2:C-3:	C[3x5,6]-4:O-2:O-1:	C[3x5,6]-4:C[5,5,6]-4:	C[3x5,6](C[5,5,6,6]C[5,6]2C[6])(C[5,5,6]C[5,6]C[5]O)(O[5,5]C[5,5,6])(COO)	C(C[3x5,6]C[5,5,6,6]C[5,5,6]O[5,5])(OC)(O)	O[5,5](C[3x5,6]C[5,5,6,6]C[5,5,6]C)(C[5,5,6]C[5,6]2H)	C[3x5,6](C[5,5,6,6]C[5,6]2C[6])(C[5,5,6]C[5,6]C[5]O)(O[5,5]C[5,5,6])(COO){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C(C[3x5,6]C[5,5,6,6]C[5,5,6]O[5,5])(OC)(O)	O[5,5](C[3x5,6]C[5,5,6,6]C[5,5,6]C)(C[5,5,6]C[5,6]2H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	113.5430	0.000	1	113.5430	0.000	1	113.5430	0.000	1	113.0340	0.518	2	113.0340	0.518	2	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5,5,6]	C	O[5,5]	2:3:3:3:	4:2:1:	4:4:	O[5,5]-2:C[5,6]-3:C[5,6]-3:C-3:	C[5,5,6]-4:O-2:O-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)2(COO)	C(C[5,5,6]C[5,6]2O[5,5])(OC)(O)	O[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2O)	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)2(COO){1|C<3>,1|C<4>,1|O<2>}	C(C[5,5,6]C[5,6]2O[5,5])(OC)(O)	O[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2O){1|C<4>,3|C<3>}	113.4690	0.000	1	113.4690	0.000	1	113.4690	0.000	1	113.4690	0.000	1	112.0238	3.045	30	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5,5,6]	C	O[5,5]	3:2:3:3:	4:3:1:	4:4:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C-3:	C[5,5,6]-4:C[6a]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:	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)(CC[6a]O)	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6a]C[6a]2)(O)	O[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)	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)(CC[6a]O){2|C<3>,3|H<1>}	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6a]C[6a]2)(O)	O[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){2|C<3>,2|H<1>}	113.3740	0.000	1	113.3740	0.000	1	113.3740	0.000	1	110.7525	13.745	2	112.0238	3.045	30	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5,5,6]	C	O[5,5]	3:2:3:3:	4:3:1:	4:4:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C-3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:	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)(CN[5]O)	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(N[5]C[5,5,6]S[5])(O)	O[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)	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)(CN[5]O){2|C<3>,3|H<1>}	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(N[5]C[5,5,6]S[5])(O)	O[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){2|C<3>,2|H<1>}	108.1310	0.000	1	108.1310	0.000	1	108.1310	0.000	1	110.7525	13.745	2	112.0238	3.045	30	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5,5,6]	C	O[5,5]	3:4:2:3:	4:3:1:	4:4:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:C-3:	C[5,5,6]-4:N-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:	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])(CNO)	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(NCH)(O)	O[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)	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])(CNO){1|F<1>,2|C<3>,3|H<1>}	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(NCH)(O)	O[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){2|C<3>,4|H<1>}	111.7330	0.000	1	111.7330	0.000	1	111.7330	0.000	1	111.7330	0.000	1	112.0238	3.045	30	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5,5,6]	C	O[5,5]	3:4:2:3:	4:4:2:	4:4:	C[5,6,6a]-3:C[5,5,6]-4:O[5,5]-2:C-3:	C[5,5,6]-4:C-4:C-2:	C[5,5,6]-4:C[5,5,6]-4:	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])(CCC)	C(C[5,5,6]C[5,6,6a]C[5,5,6]O[5,5])(CH3)(CC)	O[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]C)2	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])(CCC){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C(C[5,5,6]C[5,6,6a]C[5,5,6]O[5,5])(CH3)(CC)	O[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]C)2{2|H<1>,4|C<3>}	109.6660	0.000	1	109.6660	0.000	1	109.6660	0.000	1	109.6660	0.000	1	112.0238	3.045	30	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5,5,6]	C	O[5,5]	4:2:3:3:	4:2:1:	4:4:	C[3,5,6]-4:O[5,5]-2:C[5,6]-3:C-3:	C[5,5,6]-4:O-2:O-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(COO)	C(C[5,5,6]C[3,5,6]C[5,6]O[5,5])(OC)(O)	O[5,5](C[5,5,6]C[3,5,6]C[5,6]C)(C[5,5,6]C[3,5,6]C[5,6]O)	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(COO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[5,5,6]C[3,5,6]C[5,6]O[5,5])(OC)(O)	O[5,5](C[5,5,6]C[3,5,6]C[5,6]C)(C[5,5,6]C[3,5,6]C[5,6]O){1|C<3>,1|H<1>,3|C<4>}	114.0635	1.597	2	114.0635	2.552	2	114.0635	2.552	2	112.7614	1.520	9	112.0238	3.045	30	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5,5,6]	C	O[5,5]	4:2:3:3:	4:2:1:	4:4:	C[4,5,6]-4:O[5,5]-2:C[5,6]-3:C-3:	C[5,5,6]-4:O-2:O-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[4,5,6]C[4,5,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(COO)	C(C[5,5,6]C[4,5,6]C[5,6]O[5,5])(OC)(O)	O[5,5](C[5,5,6]C[4,5,6]C[5,6]C)(C[5,5,6]C[4,5,6]C[5,6]H)	C[5,5,6](C[4,5,6]C[4,5,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(COO){1|C<3>,2|C<4>,3|H<1>}	C(C[5,5,6]C[4,5,6]C[5,6]O[5,5])(OC)(O)	O[5,5](C[5,5,6]C[4,5,6]C[5,6]C)(C[5,5,6]C[4,5,6]C[5,6]H){2|C<3>,2|C<4>,2|H<1>}	113.4580	0.000	1	113.4580	0.000	1	113.4580	0.000	1	112.7614	1.520	9	112.0238	3.045	30	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5,5,6]	C	O[5,5]	4:2:3:3:	4:2:1:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-3:	C[5,5,6]-4:N-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:	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)(CHN)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(NN)(H)	O[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)	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)(CHN){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(NN)(H)	O[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){2|C<3>,4|H<1>}	111.2000	0.000	1	111.2000	0.000	1	111.2000	0.000	1	112.7614	1.520	9	112.0238	3.045	30	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5,5,6]	C	O[5,5]	4:2:3:3:	4:2:1:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-3:	C[5,5,6]-4:O-2:O-1:	C[5,5,6]-4:C[5,5,6]-4:	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]N[5,6]O)(COO)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(OC)(O)	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]N[5,6]C)	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]N[5,6]O)(COO){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(OC)(O)	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]N[5,6]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	111.8703	0.330	3	111.8703	0.109	3	111.8703	0.109	3	112.7614	1.520	9	112.0238	3.045	30	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5,5,6]	C	O[5,5]	4:2:3:3:	4:2:1:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:C-3:	C[5,5,6]-4:O-2:O-1:	C[3x5,6,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[3x5,6,6])(C[5,6]N[5,5,6]O)(COO)	C(C[5,5,6]C[5,6]2O[5,5])(OC)(O)	O[5,5](C[3x5,6,6]C[3,5,6]C[5,6,6]N[5,5,6])(C[5,5,6]C[5,6]2C)	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[3x5,6,6])(C[5,6]N[5,5,6]O)(COO){1|C<3>,1|H<1>,2|C<4>}	C(C[5,5,6]C[5,6]2O[5,5])(OC)(O)	O[5,5](C[3x5,6,6]C[3,5,6]C[5,6,6]N[5,5,6])(C[5,5,6]C[5,6]2C){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	113.5850	0.000	1	113.5850	0.000	1	113.5850	0.000	1	112.7614	1.520	9	112.0238	3.045	30	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5,5,6]	C	O[5,5]	4:2:3:3:	4:2:1:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:C-3:	C[5,5,6]-4:O-2:O-1:	C[5,5,3x6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,3x6])(C[5,6]N[5,3x6]O)(COO)	C(C[5,5,6]C[5,6]2O[5,5])(OC)(O)	O[5,5](C[5,5,3x6]C[5,6,6]N[5,3x6]N[6])(C[5,5,6]C[5,6]2C)	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,3x6])(C[5,6]N[5,3x6]O)(COO){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(C[5,5,6]C[5,6]2O[5,5])(OC)(O)	O[5,5](C[5,5,3x6]C[5,6,6]N[5,3x6]N[6])(C[5,5,6]C[5,6]2C){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	112.8720	0.000	1	112.8720	0.000	1	112.8720	0.000	1	112.7614	1.520	9	112.0238	3.045	30	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5,5,6]	C	O[5,5]	4:2:3:3:	4:4:1:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-3:	C[5,5,6]-4:C-4:O-1:	C[5,5,3x6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6,6]N[5]H)(O[5,5]C[5,5,3x6])(C[5,6]N[5,6,6]O)(CCO)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(CH3)(O)	O[5,5](C[5,5,3x6]C[5,5,6,6]N[5,6,6]C[6,6])(C[5,5,6]C[5,5,6]C[5,6]C)	C[5,5,6](C[5,5,6]C[5,5,6,6]N[5]H)(O[5,5]C[5,5,3x6])(C[5,6]N[5,6,6]O)(CCO){1|S<4>,2|C<3>,3|C<4>}	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(CH3)(O)	O[5,5](C[5,5,3x6]C[5,5,6,6]N[5,6,6]C[6,6])(C[5,5,6]C[5,5,6]C[5,6]C){1|H<1>,1|N<3>,1|O<1>,2|C<3>,4|C<4>}	108.7620	0.000	1	108.7620	0.000	1	108.7620	0.000	1	108.7620	0.000	1	112.0238	3.045	30	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5,5,6]	C	O[5,5]	4:4:2:3:	4:2:1:	4:4:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:C-3:	C[5,5,6]-4:O-2:O-1:	C[3x5,6,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,6]C[5,6,6]CH)(O[5,5]C[3x5,6,6])(COO)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(OC)(O)	O[5,5](C[3x5,6,6]C[3x5,6]C[5,6,6]N[5,6])(C[5,5,6]C[5,5,6]C[5,6]C)	C[5,5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,6]C[5,6,6]CH)(O[5,5]C[3x5,6,6])(COO){1|N<3>,2|C<3>,4|C<4>}	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(OC)(O)	O[5,5](C[3x5,6,6]C[3x5,6]C[5,6,6]N[5,6])(C[5,5,6]C[5,5,6]C[5,6]C){1|N<3>,2|H<1>,3|C<3>,4|C<4>}	114.0540	1.130	2	114.0540	1.277	2	112.5727	1.450	12	112.3029	1.714	14	112.0238	3.045	30	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5,5,6]	C	O[5,5]	4:4:2:3:	4:2:1:	4:4:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:C-3:	C[5,5,6]-4:O-2:O-1:	C[3x5,6,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,6]C[5,6,6]HH)(O[5,5]C[3x5,6,6])(COO)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(OC)(O)	O[5,5](C[3x5,6,6]C[3x5,6]C[5,6,6]N[5,6])(C[5,5,6]C[5,5,6]C[5,6]C)	C[5,5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,6]C[5,6,6]HH)(O[5,5]C[3x5,6,6])(COO){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(OC)(O)	O[5,5](C[3x5,6,6]C[3x5,6]C[5,6,6]N[5,6])(C[5,5,6]C[5,5,6]C[5,6]C){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	114.4630	0.000	1	112.5138	1.675	6	112.5727	1.450	12	112.3029	1.714	14	112.0238	3.045	30	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5,5,6]	C	O[5,5]	4:4:2:3:	4:2:1:	4:4:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:C-3:	C[5,5,6]-4:O-2:O-1:	C[3x5,6,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,6]C[5,6,6]HH)(O[5,5]C[3x5,6,6])(COO)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(OC)(O)	O[5,5](C[3x5,6,6]C[3x5,6]C[5,6,6]N[5,6])(C[5,5,6]C[5,5,6]C[5,6]C)	C[5,5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,6]C[5,6,6]HH)(O[5,5]C[3x5,6,6])(COO){1|N<3>,2|C<3>,4|C<4>}	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(OC)(O)	O[5,5](C[3x5,6,6]C[3x5,6]C[5,6,6]N[5,6])(C[5,5,6]C[5,5,6]C[5,6]C){1|N<3>,2|C<3>,3|H<1>,4|C<4>}	112.1240	0.976	5	112.5138	1.675	6	112.5727	1.450	12	112.3029	1.714	14	112.0238	3.045	30	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5,5,6]	C	O[5,5]	4:4:2:3:	4:2:1:	4:4:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:C-3:	C[5,5,6]-4:O-2:O-1:	C[3x5,6,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,6]C[5,6,6]HO)(O[5,5]C[3x5,6,6])(COO)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(OC)(O)	O[5,5](C[3x5,6,6]C[3x5,6]C[5,6,6]N[5,6])(C[5,5,6]C[5,5,6]C[5,6]C)	C[5,5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,6]C[5,6,6]HO)(O[5,5]C[3x5,6,6])(COO){1|N<3>,2|C<3>,4|C<4>}	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(OC)(O)	O[5,5](C[3x5,6,6]C[3x5,6]C[5,6,6]N[5,6])(C[5,5,6]C[5,5,6]C[5,6]C){1|N<3>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	111.9202	0.252	4	111.9202	0.063	4	112.5727	1.450	12	112.3029	1.714	14	112.0238	3.045	30	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5,5,6]	C	O[5,5]	4:4:2:3:	4:2:1:	4:4:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:C-3:	C[5,5,6]-4:O-2:O-1:	C[5,5,6]-4:C[5,5,6]-4:	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])(COO)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(OC)(O)	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C[6a])(C[5,5,6]C[5,5,6]C[5,6]C)	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])(COO){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(OC)(O)	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C[6a])(C[5,5,6]C[5,5,6]C[5,6]C){4|C<3>,6|H<1>}	110.6840	0.464	2	110.6840	0.215	2	110.6840	0.215	2	112.3029	1.714	14	112.0238	3.045	30	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5,5,6]	C	O[5,5]	4:4:2:3:	4:3:1:	4:4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:C-3:	C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]HH)2(O[5,5]C[5,5,6])(CCH)	C(C[5,5,6]C[5,6]2O[5,5])(CCH)(H)	O[5,5](C[5,5,6]C[5,6]2N[5])(C[5,5,6]C[5,6]2C)	C[5,5,6](C[5,6]C[5,6]HH)2(O[5,5]C[5,5,6])(CCH){1|N<3>,1|O<1>,2|H<1>}	C(C[5,5,6]C[5,6]2O[5,5])(CCH)(H)	O[5,5](C[5,5,6]C[5,6]2N[5])(C[5,5,6]C[5,6]2C){1|C<3>,1|C<4>,1|O<1>,6|H<1>}	108.4850	0.000	1	108.4850	0.000	1	108.4850	0.000	1	108.4850	0.000	1	112.0238	3.045	30	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5,5,6]	C	O[5,6]	4:4:2:3:	4:2:1:	4:4:	C[5,5,6]-4:C[5,6]-4:O[5,6]-2:C-3:	C[5,5,6]-4:C-2:O-1:	C[5,5,6]-4:C[5,6,6]-4:	C[5,5,6](C[5,5,6]O[5,6]2C)(C[5,6]C[5,6,6]CO)(O[5,6]C[5,6,6])(CCO)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,6])(CH)(O)	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[6,6]O[5,6]C)	C[5,5,6](C[5,5,6]O[5,6]2C)(C[5,6]C[5,6,6]CO)(O[5,6]C[5,6,6])(CCO){3|C<4>}	C(C[5,5,6]C[5,5,6]C[5,6]O[5,6])(CH)(O)	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[6,6]O[5,6]C){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	110.2360	0.000	1	110.2360	0.000	1	110.2360	0.000	1	110.2360	0.000	1	109.6833	0.518	8	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5,5,6]	C	O[5,6]	4:4:2:3:	4:3:1:	4:4:	C[5,5,6]-4:C[5,6]-4:O[5,6]-2:C-3:	C[5,5,6]-4:C-3:O-1:	C[5,5,6]-4:C[5,6,6]-4:	C[5,5,6](C[5,5,6]O[5,6]2C)(C[5,6]C[5,6,6]CO)(O[5,6]C[5,6,6])(CCO)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,6])(CHH)(O)	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[6,6]O[5,6]C)	C[5,5,6](C[5,5,6]O[5,6]2C)(C[5,6]C[5,6,6]CO)(O[5,6]C[5,6,6])(CCO){1|C<3>,2|C<4>}	C(C[5,5,6]C[5,5,6]C[5,6]O[5,6])(CHH)(O)	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[6,6]O[5,6]C){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	110.0330	0.000	1	110.0330	0.000	1	110.0330	0.000	1	110.0330	0.000	1	109.6833	0.518	8	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5,5,6]	C	O[5,6]	4:4:2:3:	4:4:1:	4:4:	C[5,5,6]-4:C[5,6]-4:O[5,6]-2:C-3:	C[5,5,6]-4:C-4:O-1:	C[5,5,6]-4:C[5,6,6]-4:	C[5,5,6](C[5,5,6]O[5,6]2C)(C[5,6]C[5,6,6]CO)(O[5,6]C[5,6,6])(CCO)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,6])(CH3)(O)	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[6,6]O[5,6]C)	C[5,5,6](C[5,5,6]O[5,6]2C)(C[5,6]C[5,6,6]CO)(O[5,6]C[5,6,6])(CCO){3|C<4>}	C(C[5,5,6]C[5,5,6]C[5,6]O[5,6])(CH3)(O)	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[6,6]O[5,6]C){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	108.9430	0.000	1	109.8230	0.427	4	109.8230	0.427	4	109.5328	0.612	6	109.6833	0.518	8	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5,5,6]	C	O[5,6]	4:4:2:3:	4:4:1:	4:4:	C[5,5,6]-4:C[5,6]-4:O[5,6]-2:C-3:	C[5,5,6]-4:C-4:O-1:	C[5,5,6]-4:C[5,6,6]-4:	C[5,5,6](C[5,5,6]O[5,6]2C)(C[5,6]C[5,6,6]CO)(O[5,6]C[5,6,6])(CCO)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,6])(CH3)(O)	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[6,6]O[5,6]C)	C[5,5,6](C[5,5,6]O[5,6]2C)(C[5,6]C[5,6,6]CO)(O[5,6]C[5,6,6])(CCO){3|C<4>}	C(C[5,5,6]C[5,5,6]C[5,6]O[5,6])(CH3)(O)	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[6,6]O[5,6]C){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	110.1163	0.353	3	109.8230	0.427	4	109.8230	0.427	4	109.5328	0.612	6	109.6833	0.518	8	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5,5,6]	C	O[5,6]	4:4:2:3:	4:4:1:	4:4:	C[5,5,6]-4:C[5,6]-4:O[5,6]-2:C-3:	C[5,5,6]-4:C-4:O-1:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]C)(C[5,6]C[5,6]HO)(O[5,6]C[5,6])(CCO)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,6])(CH3)(O)	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6]C[5,5,6,6]HH)	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]C)(C[5,6]C[5,6]HO)(O[5,6]C[5,6])(CCO){1|C<3>,1|C<4>,6|H<1>}	C(C[5,5,6]C[5,5,6]C[5,6]O[5,6])(CH3)(O)	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6]C[5,5,6,6]HH){1|H<1>,1|O<2>,4|C<4>}	108.9525	0.876	2	108.9525	0.768	2	108.9525	0.768	2	109.5328	0.612	6	109.6833	0.518	8	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5,5,6]	C	O[5]	4:4:2:3:	4:2:1:	4:4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:C-3:	C[5,5,6]-4:O-2:O-1:	C[5,5,6]-4:C[5]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]O[5]H)(O[5]C[5])(COO)	C(C[5,5,6]C[5,5,6]2O[5])(OC)(O)	O[5](C[5,5,6]C[5,5,6]2C)(C[5]O[5]CC)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]O[5]H)(O[5]C[5])(COO){4|C<4>,4|H<1>}	C(C[5,5,6]C[5,5,6]2O[5])(OC)(O)	O[5](C[5,5,6]C[5,5,6]2C)(C[5]O[5]CC){2|H<1>,3|C<4>}	106.4740	0.000	1	106.4740	0.000	1	106.4740	0.000	1	106.4740	0.000	1	106.4740	0.000	1	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5,5]	C	O[5]	3:4:2:3:	4:3:1:	4:4:	N[5,5]-3:C[5]-4:O[5]-2:C-3:	C[5,5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CC)(O[5]C[5])(CCH)	C(C[5,5]N[5,5]C[5]O[5])(CC[6a]H)(H)	O[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CC)(O[5]C[5])(CCH){2|C<3>,4|H<1>}	C(C[5,5]N[5,5]C[5]O[5])(CC[6a]H)(H)	O[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH){2|C<3>,2|C<4>,2|H<1>}	109.1703	0.974	3	109.1703	0.949	3	109.1703	0.949	3	109.1703	0.949	3	109.1855	1.805	29	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5,5]	C	O[5]	4:2:2:3:	4:1:1:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:C-3:	C[5,5]-4:O-1:O-1:	C[5,5]-4:C[5,6]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(COO)	C(C[5,5]C[5,5]O[5]2)(O)2	O[5](C[5,5]C[5,5]O[5]C)(C[5,6]C[5,6]C[6]H)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(COO){1|O<2>,2|H<1>,3|C<4>}	C(C[5,5]C[5,5]O[5]2)(O)2	O[5](C[5,5]C[5,5]O[5]C)(C[5,6]C[5,6]C[6]H){1|C<4>,3|O<2>,4|H<1>}	107.6508	1.474	6	107.6508	2.173	6	107.6508	2.173	6	108.6008	2.120	12	109.1855	1.805	29	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5,5]	C	O[5]	4:2:2:3:	4:1:1:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:C-3:	C[5,5]-4:O-1:O-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(COO)	C(C[5,5]C[5,5]O[5]2)(O)2	O[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(COO){1|O<2>,2|H<1>,3|C<4>}	C(C[5,5]C[5,5]O[5]2)(O)2	O[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC){1|H<1>,2|C<4>}	109.5508	0.571	6	109.5508	0.326	6	109.5508	0.326	6	108.6008	2.120	12	109.1855	1.805	29	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5,5]	C	O[5]	4:3:2:3:	4:2:1:	4:3:	C[5,5]-4:C[5]-3:O[5]-2:C-3:	C[5,5]-4:O-2:O-1:	C[5,5]-4:N[5]-3:	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(O[5]N[5])(COO)	C(C[5,5]C[5,5]C[5]O[5])(OC)(O)	O[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]O)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(O[5]N[5])(COO){1|O<1>,3|C<3>}	C(C[5,5]C[5,5]C[5]O[5])(OC)(O)	O[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]O){1|H<1>,1|O<1>,3|C<3>}	109.9580	0.000	1	109.9580	0.000	1	109.9580	0.000	1	109.9580	0.000	1	109.1855	1.805	29	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5,5]	C	O[5]	4:3:2:3:	4:2:1:	4:4:	C[5,5]-4:C[5]-3:O[5]-2:C-3:	C[5,5]-4:O-2:O-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]O)(O[5]C[5])(COO)	C(C[5,5]C[5,5]C[5]O[5])(OC)(O)	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]O)(O[5]C[5])(COO){2|C<4>,2|H<1>}	C(C[5,5]C[5,5]C[5]O[5])(OC)(O)	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	109.9450	0.000	1	109.9450	0.000	1	109.9450	0.000	1	109.9450	0.000	1	109.1855	1.805	29	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5,5]	C	O[5]	4:3:2:3:	4:3:1:	4:4:	C[5,5]-4:N[5]-3:O[5]-2:C-3:	C[5,5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(CCH)	C(C[5,5]C[5,5]N[5]O[5])(CCH)(H)	O[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(CCH){2|C<3>,4|H<1>}	C(C[5,5]C[5,5]N[5]O[5])(CCH)(H)	O[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]HH){1|S<4>,2|C<3>,3|H<1>}	110.7223	0.590	3	110.7223	0.348	3	110.7223	0.348	3	110.7223	0.348	3	109.1855	1.805	29	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5,5]	C	O[5]	4:4:2:3:	4:2:1:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:C-3:	C[5,5]-4:O-2:O-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,5,6]HH)(O[5]C[5])(COO)	C(C[5,5]C[5,5]C[5]O[5])(OC)(O)	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,5,6]HH)(O[5]C[5])(COO){2|H<1>,4|C<4>}	C(C[5,5]C[5,5]C[5]O[5])(OC)(O)	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC){2|C<4>,3|H<1>}	111.2150	0.000	1	111.2150	0.000	1	110.1600	2.226	2	110.1600	2.226	2	109.1855	1.805	29	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5,5]	C	O[5]	4:4:2:3:	4:2:1:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:C-3:	C[5,5]-4:O-2:O-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]HH)(O[5]C[5])(COO)	C(C[5,5]C[5,5]C[5]O[5])(OC)(O)	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]HH)(O[5]C[5])(COO){1|O<1>,2|C<4>}	C(C[5,5]C[5,5]C[5]O[5])(OC)(O)	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC){1|O<2>,2|C<3>,2|H<1>}	109.1050	0.000	1	109.1050	0.000	1	110.1600	2.226	2	110.1600	2.226	2	109.1855	1.805	29	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5,5]	C	O[5]	4:4:2:3:	4:4:1:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:C-3:	C[5,5]-4:C-4:O-1:	C[5,6]-4:C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(O[5]C[5,6])(CCO)	C(C[5,5]C[5,5]C[5]O[5])(CH3)(O)	O[5](C[5,6]C[6,6a]C[5]C[6])(C[5,5]C[5,5]C[5]C)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(O[5]C[5,6])(CCO){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C(C[5,5]C[5,5]C[5]O[5])(CH3)(O)	O[5](C[5,6]C[6,6a]C[5]C[6])(C[5,5]C[5,5]C[5]C){1|C<4>,1|N<3>,1|O<2>,2|C<3>,7|H<1>}	110.1330	0.000	1	110.1330	0.000	1	110.4295	0.176	2	109.0383	1.333	7	109.1855	1.805	29	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5,5]	C	O[5]	4:4:2:3:	4:4:1:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:C-3:	C[5,5]-4:C-4:O-1:	C[5,6]-4:C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]O[5]HH)(O[5]C[5,6])(CCO)	C(C[5,5]C[5,5]C[5]O[5])(CH3)(O)	O[5](C[5,6]C[6,6a]C[5]C[6])(C[5,5]C[5,5]C[5]C)	C[5,5](C[5,5]C[5]2H)(C[5]O[5]HH)(O[5]C[5,6])(CCO){1|C<3>,1|C<4>,4|H<1>}	C(C[5,5]C[5,5]C[5]O[5])(CH3)(O)	O[5](C[5,6]C[6,6a]C[5]C[6])(C[5,5]C[5,5]C[5]C){1|C<4>,2|C<3>,2|O<2>,7|H<1>}	110.7260	0.000	1	110.7260	0.000	1	110.4295	0.176	2	109.0383	1.333	7	109.1855	1.805	29	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5,5]	C	O[5]	4:4:2:3:	4:4:1:	4:4:	C[5,6]-4:C[5,5]-4:O[5]-2:C-3:	C[5,5]-4:C-4:O-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(O[5]C[5])(CCO)	C(C[5,5]C[5,5]C[5,6]O[5])(CHHO)(O)	O[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[6]O[5]H)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(O[5]C[5])(CCO){3|C<4>,6|H<1>}	C(C[5,5]C[5,5]C[5,6]O[5])(CHHO)(O)	O[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[6]O[5]H){2|H<1>,6|C<4>}	108.2885	0.063	2	108.2885	0.004	2	108.4818	0.601	5	109.0383	1.333	7	109.1855	1.805	29	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5,5]	C	O[5]	4:4:2:3:	4:4:1:	4:4:	C[5,6]-4:C[5,5]-4:O[5]-2:C-3:	C[5,5]-4:C-4:O-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(O[5]C[5])(CCO)	C(C[5,5]C[5,5]C[5,6]O[5])(CHHO)(O)	O[5](C[5,5]C[5,5]C[5,6]C)(C[5]O[5]CC)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(O[5]C[5])(CCO){4|C<4>,5|H<1>}	C(C[5,5]C[5,5]C[5,6]O[5])(CHHO)(O)	O[5](C[5,5]C[5,5]C[5,6]C)(C[5]O[5]CC){1|H<1>,4|C<4>}	109.0195	1.128	2	109.0195	1.272	2	108.4818	0.601	5	109.0383	1.333	7	109.1855	1.805	29	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5,5]	C	O[5]	4:4:2:3:	4:4:1:	4:4:	C[5,6]-4:C[5,5]-4:O[5]-2:C-3:	C[5,5]-4:C-4:O-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(O[5]C[5])(CCO)	C(C[5,5]C[5,5]C[5,6]O[5])(CHHO)(O)	O[5](C[5,5]C[5,5]C[5,6]C)(C[5]O[5]CO)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(O[5]C[5])(CCO){1|O<2>,3|C<4>,5|H<1>}	C(C[5,5]C[5,5]C[5,6]O[5])(CHHO)(O)	O[5](C[5,5]C[5,5]C[5,6]C)(C[5]O[5]CO){1|H<1>,4|C<4>}	107.7930	0.000	1	107.7930	0.000	1	108.4818	0.601	5	109.0383	1.333	7	109.1855	1.805	29	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5,6,6]	C	O[5,6]	4:2:2:3:	4:1:1:	4:4:	C[6,6]-4:O[5,6]-2:O[5,6]-2:C-3:	C[5,6,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:	C[5,6,6](C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])2(CHH)	C(C[5,6,6]C[6,6]O[5,6]2)(H)2	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[6,6]O[5,6]C)	C[5,6,6](C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])2(CHH){1|C<3>,1|O<2>,3|C<4>}	C(C[5,6,6]C[6,6]O[5,6]2)(H)2	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[6,6]O[5,6]C){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	111.4830	0.000	1	111.4830	0.000	1	110.2500	3.041	2	110.2500	3.041	2	108.8277	7.589	3	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5,6,6]	C	O[5,6]	4:2:2:3:	4:1:1:	4:4:	C[6,6]-4:O[5,6]-2:O[5,6]-2:C-3:	C[5,6,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:	C[5,6,6](C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])2(CHH)	C(C[5,6,6]C[6,6]O[5,6]2)(H)2	O[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)	C[5,6,6](C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])2(CHH){1|C<3>,1|O<2>,3|C<4>}	C(C[5,6,6]C[6,6]O[5,6]2)(H)2	O[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){1|H<1>,2|C<3>,2|C<4>}	109.0170	0.000	1	109.0170	0.000	1	110.2500	3.041	2	110.2500	3.041	2	108.8277	7.589	3	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5,6,6]	C	O[5,6]	4:4:2:3:	4:4:1:	4:4:	C[5,6,6]-4:C[6,6]-4:O[5,6]-2:C-3:	C[5,6,6]-4:C-4:O-1:	C[5,6,6]-4:N[5,6]-4:	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6,6]HH)(O[5,6]N[5,6])(CCO)	C(C[5,6,6]C[5,6,6]C[6,6]O[5,6])(CH3)(O)	O[5,6](C[5,6,6]C[5,6,6]C[6,6]C)(N[5,6]C[5,6]C[6]C)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6,6]HH)(O[5,6]N[5,6])(CCO){1|C<3>,3|H<1>,4|C<4>}	C(C[5,6,6]C[5,6,6]C[6,6]O[5,6])(CH3)(O)	O[5,6](C[5,6,6]C[5,6,6]C[6,6]C)(N[5,6]C[5,6]C[6]C){3|C<4>,6|H<1>}	105.9830	0.000	1	105.9830	0.000	1	105.9830	0.000	1	105.9830	0.000	1	108.8277	7.589	3	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5,6,6]	C	O[5]	4:4:2:3:	4:2:1:	4:4:	C[3x6]-4:C[5,6,6]-4:O[5]-2:C-3:	C[5,6,6]-4:O-2:O-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[3x6]N[5a,6,6]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(COO)	C(C[5,6,6]C[5,6,6]C[3x6]O[5])(OC)(O)	O[5](C[5,6,6]C[5,6,6]C[3x6]C)(C[5]O[5]CC)	C[5,6,6](C[3x6]N[5a,6,6]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(COO){1|Br<1>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C(C[5,6,6]C[5,6,6]C[3x6]O[5])(OC)(O)	O[5](C[5,6,6]C[5,6,6]C[3x6]C)(C[5]O[5]CC){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	108.0280	0.000	1	108.0280	0.000	1	108.0280	0.000	1	108.0280	0.000	1	108.0280	0.000	1	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5,6]	C	O[5,6]	2:2:4:3:	4:2:1:	4:4:	O[5,6]-2:S[6]-2:C[5]-4:C-3:	C[5,6]-4:O-2:O-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(S[6]C[6,6a])(C[5]C[5]HO)(COO)	C(C[5,6]O[5,6]C[5]S[6])(OC)(O)	O[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]S[6]C)	C[5,6](O[5,6]C[5,6])(S[6]C[6,6a])(C[5]C[5]HO)(COO){1|C<3>,1|O<2>,3|H<1>}	C(C[5,6]O[5,6]C[5]S[6])(OC)(O)	O[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]S[6]C){1|O<2>,2|C<3>,3|H<1>}	111.9180	1.263	2	111.9180	1.595	2	111.9180	1.595	2	111.9180	1.595	2	108.8147	7.075	15	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5,6]	C	O[5,6]	2:2:4:3:	4:4:3:	4:4:	O[5,6]-2:O[6]-2:C[5]-4:C-3:	C[5,6]-4:C-4:C-3:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(O[6]C[6,6a])(C[5]N[5]FF)(CCC)	C(C[5,6]O[5,6]C[5]O[6])(CH3)(CHH)	O[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]C[5]O[6]C)	C[5,6](O[5,6]C[5,6])(O[6]C[6,6a])(C[5]N[5]FF)(CCC){1|H<1>,3|C<3>}	C(C[5,6]O[5,6]C[5]O[6])(CH3)(CHH)	O[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]C[5]O[6]C){2|F<1>,3|C<3>}	113.0520	0.000	1	113.0520	0.000	1	113.0520	0.000	1	113.0520	0.000	1	108.8147	7.075	15	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5,6]	C	O[5,6]	2:4:3:3:	4:2:1:	4:4:	O[5,6]-2:C[5]-4:C[6]-3:C-3:	C[5,6]-4:O-2:O-1:	C[5,5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]N)(COO)	C(C[5,6]O[5,6]C[5]C[6])(OC[5,6])(O)	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]C)	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]N)(COO){3|C<4>,3|H<1>}	C(C[5,6]O[5,6]C[5]C[6])(OC[5,6])(O)	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]C){1|N<2>,3|C<4>,7|H<1>}	109.8410	0.000	1	109.8410	0.000	1	109.8410	0.000	1	109.5720	0.145	2	108.8147	7.075	15	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5,6]	C	O[5,6]	2:4:3:3:	4:2:1:	4:4:	O[5,6]-2:C[5]-4:C[6]-3:C-3:	C[5,6]-4:O-2:O-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]O[5]CH)(C[6]C[6]O)(COO)	C(C[5,6]O[5,6]C[5]C[6])(OC)(O)	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)	C[5,6](O[5,6]C[5,6])(C[5]O[5]CH)(C[6]C[6]O)(COO){2|C<4>,2|H<1>}	C(C[5,6]O[5,6]C[5]C[6])(OC)(O)	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	109.3030	0.000	1	109.3030	0.000	1	109.3030	0.000	1	109.5720	0.145	2	108.8147	7.075	15	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5,6]	C	O[5,6]	2:4:4:3:	4:2:1:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:C-3:	C[5,6]-4:O-2:O-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]O[5]CH)(C[6]C[6]CO)(COO)	C(C[5,6]O[5,6]C[5]C[6])(OC)(O)	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)	C[5,6](O[5,6]C[5,6])(C[5]O[5]CH)(C[6]C[6]CO)(COO){2|C<4>,2|H<1>}	C(C[5,6]O[5,6]C[5]C[6])(OC)(O)	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	109.9000	0.000	1	109.9000	0.000	1	109.9000	0.000	1	109.9000	0.000	1	108.8147	7.075	15	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5,6]	C	O[5,6]	4:2:3:3:	4:1:1:	4:4:	C[5]-4:O[5,6]-2:C[6]-3:C-3:	C[5,6]-4:O-1:O-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5]C[6a]C[5]H)(O[5,6]C[5,6])(C[6]C[6]O)(COO)	C(C[5,6]O[5,6]C[5]C[6])(O)2	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)	C[5,6](C[5]C[6a]C[5]H)(O[5,6]C[5,6])(C[6]C[6]O)(COO){1|C<4>,2|C<3>,5|H<1>}	C(C[5,6]O[5,6]C[5]C[6])(O)2	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	107.2770	0.000	1	107.2770	0.000	1	107.2770	0.000	1	107.2770	0.000	1	108.8147	7.075	15	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5,6]	C	O[5,6]	4:2:3:3:	4:2:1:	4:4:	C[5,5]-4:O[5,6]-2:C[6]-3:C-3:	C[5,6]-4:O-2:O-1:	C[5,5,6]-4:C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]O[5])(O[5,6]C[5,5,6])(C[6]C[6]O)(COO)	C(C[5,6]C[5,5]O[5,6]C[6])(OC)(O)	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5,5]C[6]C)	C[5,6](C[5,5]C[5,5]C[5]O[5])(O[5,6]C[5,5,6])(C[6]C[6]O)(COO){2|C<3>,3|H<1>,4|C<4>}	C(C[5,6]C[5,5]O[5,6]C[6])(OC)(O)	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5,5]C[6]C){1|C<3>,1|O<1>,2|C<4>,2|O<2>,5|H<1>}	109.9170	0.000	1	109.9170	0.000	1	109.9170	0.000	1	107.7170	5.438	5	108.8147	7.075	15	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5,6]	C	O[5,6]	4:2:3:3:	4:2:1:	4:4:	C[5,6,6]-4:O[5,6]-2:C[5]-3:C-3:	C[5,6]-4:O-2:O-1:	C[5,5,6]-4:C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6]O[5])(O[5,6]C[5,5,6])(C[5]C[5]O)(COO)	C(C[5,6]C[5,6,6]O[5,6]C[5])(OC)(O)	O[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6,6]C[5]C)	C[5,6](C[5,6,6]C[5,6,6]C[6]O[5])(O[5,6]C[5,5,6])(C[5]C[5]O)(COO){1|O<2>,4|H<1>,5|C<4>}	C(C[5,6]C[5,6,6]O[5,6]C[5])(OC)(O)	O[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6,6]C[5]C){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	108.2200	0.000	1	108.2200	0.000	1	108.2200	0.000	1	107.7170	5.438	5	108.8147	7.075	15	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5,6]	C	O[5,6]	4:2:3:3:	4:2:1:	4:4:	C[5]-4:O[5,6]-2:C[6]-3:C-3:	C[5,6]-4:O-2:O-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5]C[6a]C[5]H)(O[5,6]C[5,6])(C[6]C[6]O)(COO)	C(C[5,6]O[5,6]C[5]C[6])(OC)(O)	O[5,6](C[5,6]C[5]C[6]C)2	C[5,6](C[5]C[6a]C[5]H)(O[5,6]C[5,6])(C[6]C[6]O)(COO){2|C<4>,2|H<1>,3|C<3>}	C(C[5,6]O[5,6]C[5]C[6])(OC)(O)	O[5,6](C[5,6]C[5]C[6]C)2{1|C<4>,1|O<1>,2|C<3>,3|H<1>}	108.3405	0.527	2	108.3405	0.278	2	108.3405	0.278	2	107.7170	5.438	5	108.8147	7.075	15	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5,6]	C	O[5,6]	4:2:3:3:	4:2:1:	4:4:	C[6]-4:O[5,6]-2:C[5]-3:C-3:	C[5,6]-4:O-2:O-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]C)(COO)	C(C[5,6]O[5,6]C[5]C[6])(OC)(O)	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)	C[5,6](C[6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]C)(COO){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[5,6]O[5,6]C[5]C[6])(OC)(O)	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	103.7670	0.000	1	103.7670	0.000	1	103.7670	0.000	1	107.7170	5.438	5	108.8147	7.075	15	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5,6]	C	O[5,6]	4:2:4:3:	4:4:1:	3:4:	C[6,6]-4:O[5,6]-2:C[5]-4:C-3:	C[5,6]-4:C-4:O-1:	N[5,5,6]-3:C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]N[5,5,6])(C[5]C[5,5]HH)(CCO)	C(C[5,6]C[6,6]O[5,6]C[5])(CH3)(O)	O[5,6](N[5,5,6]C[5,6,6]C[5,5])(C[5,6]C[6,6]C[5]C)	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]N[5,5,6])(C[5]C[5,5]HH)(CCO){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C(C[5,6]C[6,6]O[5,6]C[5])(CH3)(O)	O[5,6](N[5,5,6]C[5,6,6]C[5,5])(C[5,6]C[6,6]C[5]C){4|C<4>,5|H<1>}	103.7290	0.000	1	105.6315	7.239	2	105.6315	7.239	2	105.6315	7.239	2	108.8147	7.075	15	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5,6]	C	O[5,6]	4:2:4:3:	4:4:1:	3:4:	C[6,6]-4:O[5,6]-2:C[5]-4:C-3:	C[5,6]-4:C-4:O-1:	N[5,5,6]-3:C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]N[5,5,6])(C[5]C[5,5]HH)(CCO)	C(C[5,6]C[6,6]O[5,6]C[5])(CH3)(O)	O[5,6](N[5,5,6]C[5,6,6]C[5,5])(C[5,6]C[6,6]C[5]C)	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]N[5,5,6])(C[5]C[5,5]HH)(CCO){2|C<3>,2|C<4>,3|H<1>}	C(C[5,6]C[6,6]O[5,6]C[5])(CH3)(O)	O[5,6](N[5,5,6]C[5,6,6]C[5,5])(C[5,6]C[6,6]C[5]C){1|C<3>,3|C<4>,5|H<1>}	107.5340	0.000	1	105.6315	7.239	2	105.6315	7.239	2	105.6315	7.239	2	108.8147	7.075	15	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5,6]	C	O[5,6]	4:4:2:3:	4:2:1:	4:4:	C[3,6]-4:C[5]-4:O[5,6]-2:C-3:	C[5,6]-4:O-2:O-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[3,6]C[6,6a]C[3]2)(C[5]C[6a]C[5]H)(O[5,6]C[5,6])(COO)	C(C[5,6]C[3,6]O[5,6]C[5])(OC)(O)	O[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[3,6]C[5]C)	C[5,6](C[3,6]C[6,6a]C[3]2)(C[5]C[6a]C[5]H)(O[5,6]C[5,6])(COO){5|C<3>,6|H<1>}	C(C[5,6]C[3,6]O[5,6]C[5])(OC)(O)	O[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[3,6]C[5]C){2|C<4>,3|C<3>,3|H<1>}	109.1630	0.000	1	109.1630	0.000	1	109.1630	0.000	1	109.1630	0.000	1	108.8147	7.075	15	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5,6]	C	O[5]	3:3:2:3:	4:3:1:	4:4:	C[6,6a]-3:N[5,6]-3:O[5]-2:C-3:	C[5,6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(O[5]C[5])(CCH)	C(C[5,6]C[6,6a]N[5,6]O[5])(CC[6a]H)(H)	O[5](C[5,6]C[6,6a]N[5,6]C)(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(O[5]C[5])(CCH){1|C<4>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	C(C[5,6]C[6,6a]N[5,6]O[5])(CC[6a]H)(H)	O[5](C[5,6]C[6,6a]N[5,6]C)(C[5]C[5]HH){1|C<4>,1|S<4>,3|C<3>}	112.2890	0.000	1	112.2890	0.000	1	112.2890	0.000	1	112.2890	0.000	1	108.4635	5.165	17	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5,6]	C	O[5]	4:2:2:3:	4:2:1:	4:3:	C[5,6]-4:O[6]-2:O[5]-2:C-3:	C[5,6]-4:O-2:O-1:	C[5,6]-4:N[5]-3:	C[5,6](C[5,6]C[5,6]CH)(O[6]C[6,6a])(O[5]N[5])(COO)	C(C[5,6]C[5,6]O[5]O[6])(OC)(O)	O[5](C[5,6]C[5,6]O[6]C)(N[5]C[5,6]C)	C[5,6](C[5,6]C[5,6]CH)(O[6]C[6,6a])(O[5]N[5])(COO){1|C<4>,1|H<1>,2|C<3>}	C(C[5,6]C[5,6]O[5]O[6])(OC)(O)	O[5](C[5,6]C[5,6]O[6]C)(N[5]C[5,6]C){2|H<1>,3|C<3>}	112.6250	0.000	1	112.6250	0.000	1	112.6250	0.000	1	112.6250	0.000	1	108.4635	5.165	17	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5,6]	C	O[5]	4:3:2:3:	4:2:1:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:C-3:	C[5,6]-4:O-2:O-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(COO)	C(C[5,6]C[5,6]C[6]O[5])(OH)(O)	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(COO){1|C<3>,2|C<4>,2|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(OH)(O)	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC){2|C<3>,2|H<1>}	109.6410	0.000	1	109.6410	0.000	1	109.6410	0.000	1	109.6410	0.000	1	108.4635	5.165	17	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5,6]	C	O[5]	4:4:2:3:	4:2:1:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:C-3:	C[5,6]-4:O-2:O-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6,6]O[5,6]O[6,6]C)(C[6]O[6]CO)(O[5]C[5,6])(COO)	C(C[5,6]C[5,6,6]C[6]O[5])(OC)(O)	O[5](C[5,6]C[5,6,6]C[6]C)(C[5,6]O[5,6]C[6]C)	C[5,6](C[5,6,6]O[5,6]O[6,6]C)(C[6]O[6]CO)(O[5]C[5,6])(COO){3|C<4>}	C(C[5,6]C[5,6,6]C[6]O[5])(OC)(O)	O[5](C[5,6]C[5,6,6]C[6]C)(C[5,6]O[5,6]C[6]C){1|C<3>,1|H<1>,3|C<4>,3|O<2>}	105.9790	0.000	1	105.9790	0.000	1	106.7810	1.286	2	107.3247	4.302	9	108.4635	5.165	17	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5,6]	C	O[5]	4:4:2:3:	4:2:1:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:C-3:	C[5,6]-4:O-2:O-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6,6]O[5,6]O[6,6]C)(C[6]O[6]ClC)(O[5]C[5,6])(COO)	C(C[5,6]C[5,6,6]C[6]O[5])(OC)(O)	O[5](C[5,6]C[5,6,6]C[6]C)(C[5,6]O[5,6]C[6]C)	C[5,6](C[5,6,6]O[5,6]O[6,6]C)(C[6]O[6]ClC)(O[5]C[5,6])(COO){3|C<4>}	C(C[5,6]C[5,6,6]C[6]O[5])(OC)(O)	O[5](C[5,6]C[5,6,6]C[6]C)(C[5,6]O[5,6]C[6]C){1|Cl<1>,1|C<3>,1|H<1>,2|O<2>,3|C<4>}	107.5830	0.000	1	107.5830	0.000	1	106.7810	1.286	2	107.3247	4.302	9	108.4635	5.165	17	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5,6]	C	O[5]	4:4:2:3:	4:2:1:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:C-3:	C[5,6]-4:O-2:O-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[5,3x6]C[6]H)(C[6]C[6]HO)(O[5]C[5])(COO)	C(C[5,6]C[5,6,6]C[6]O[5])(OC)(O)	O[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,3x6]HH)	C[5,6](C[5,6,6]C[5,3x6]C[6]H)(C[6]C[6]HO)(O[5]C[5])(COO){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C(C[5,6]C[5,6,6]C[6]O[5])(OC)(O)	O[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,3x6]HH){1|O<2>,2|H<1>,4|C<4>}	105.0150	2.052	2	105.0150	4.211	2	105.0150	4.211	2	107.3247	4.302	9	108.4635	5.165	17	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5,6]	C	O[5]	4:4:2:3:	4:2:1:	4:4:	C[5,6]-4:C[5,6]-4:O[5]-2:C-3:	C[5,6]-4:O-2:O-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(COO)	C(C[5,6]C[5,6]2O[5])(OC)(O)	O[5](C[5,6]C[5,6]2C)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(COO){1|H<1>,1|O<1>,5|C<4>}	C(C[5,6]C[5,6]2O[5])(OC)(O)	O[5](C[5,6]C[5,6]2C)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	111.3020	0.000	1	111.3020	0.000	1	111.3020	0.000	1	107.3247	4.302	9	108.4635	5.165	17	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5,6]	C	O[5]	4:4:2:3:	4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-3:	C[5,6]-4:O-2:O-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(COO)	C(C[5,6]C[5,6]C[6]O[5])(OH)(O)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(COO){1|C<3>,2|H<1>,3|C<4>}	C(C[5,6]C[5,6]C[6]O[5])(OH)(O)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC){1|C<3>,2|C<4>,4|H<1>}	108.2550	0.313	2	108.2550	0.098	2	107.7570	0.365	4	107.3247	4.302	9	108.4635	5.165	17	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5,6]	C	O[5]	4:4:2:3:	4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-3:	C[5,6]-4:O-2:O-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(COO)	C(C[5,6]C[5,6]C[6]O[5])(OH)(O)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C[3]2)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(COO){1|C<3>,2|H<1>,3|C<4>}	C(C[5,6]C[5,6]C[6]O[5])(OH)(O)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C[3]2){1|C<3>,6|C<4>,6|H<1>}	107.3060	0.000	1	107.3060	0.000	1	107.7570	0.365	4	107.3247	4.302	9	108.4635	5.165	17	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5,6]	C	O[5]	4:4:2:3:	4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-3:	C[5,6]-4:O-2:O-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CoH)(O[5]C[5])(COO)	C(C[5,6]C[5,6]C[6]O[5])(OC)(O)	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CoH)(O[5]C[5])(COO){2|H<1>,3|C<4>}	C(C[5,6]C[5,6]C[6]O[5])(OC)(O)	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC){1|Co<9>,2|C<4>,2|H<1>}	107.2120	0.000	1	107.2120	0.000	1	107.7570	0.365	4	107.3247	4.302	9	108.4635	5.165	17	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5,6]	C	O[5]	4:4:2:3:	4:3:1:	4:4:	C[5,5,6,6]-4:C[6]-4:O[5]-2:C-3:	C[5,6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]N[6]HH)(O[5]C[5])(CCH)	C(C[5,6]C[5,5,6,6]C[6]O[5])(CHH)(H)	O[5](C[5,6]C[5,5,6,6]C[6]C)(C[5]C[5,5,6]CH)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]N[6]HH)(O[5]C[5])(CCH){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C(C[5,6]C[5,5,6,6]C[6]O[5])(CHH)(H)	O[5](C[5,6]C[5,5,6,6]C[6]C)(C[5]C[5,5,6]CH){1|N<3>,2|C<4>,4|H<1>}	109.4600	0.000	1	109.4600	0.000	1	109.4600	0.000	1	109.4600	0.000	1	108.4635	5.165	17	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5,6]	C	O[5]	4:4:2:3:	4:3:2:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-3:	C[5,6]-4:C-3:O-2:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]N[5a]H)(C[6]N[5a,6]CH)(O[5]C[5])(CCO)	C(C[5,6]C[5,6]C[6]O[5])(CHH)(OC)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)	C[5,6](C[5,6]C[5,6]N[5a]H)(C[6]N[5a,6]CH)(O[5]C[5])(CCO){1|H<1>,1|O<2>,5|C<3>}	C(C[5,6]C[5,6]C[6]O[5])(CHH)(OC)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	109.1470	0.000	1	109.1470	0.000	1	109.1470	0.000	1	109.1470	0.000	1	108.4635	5.165	17	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5,6]	C	O[5]	4:4:2:3:	4:4:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-3:	C[5,6]-4:C-4:O-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]N[6]HH)(O[5]C[5,6])(CCO)	C(C[5,6]C[5,6]C[6]O[5])(CH3)(O)	O[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6]C[5,6]C[6]C)	C[5,6](C[5,6]C[5]C[6]C)(C[6]N[6]HH)(O[5]C[5,6])(CCO){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(CH3)(O)	O[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6]C[5,6]C[6]C){1|N<3>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	108.5855	1.005	2	108.5855	1.010	2	108.2653	0.812	3	108.2653	0.812	3	108.4635	5.165	17	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5,6]	C	O[5]	4:4:2:3:	4:4:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-3:	C[5,6]-4:C-4:O-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]HH)(O[5]C[5,6])(CCO)	C(C[5,6]C[5,6]C[6]O[5])(CH3)(O)	O[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6]C[5,6]C[6]C)	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]HH)(O[5]C[5,6])(CCO){1|C<3>,2|C<4>,4|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(CH3)(O)	O[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6]C[5,6]C[6]C){1|C<4>,2|C<3>,2|O<2>,7|H<1>}	107.6250	0.000	1	107.6250	0.000	1	108.2653	0.812	3	108.2653	0.812	3	108.4635	5.165	17	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	2:2:3:1:	3:4:1:	4:4:	O[5]-2:O[5]-2:C-3:H-1:	C[6a]-3:C[5]-4:O-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CC[6a]O)(H)	C(C[6a]C[6a]2)(C[5]O[5]2H)(O)	O[5](C[5,5]C[5,5]C[6a]O[5])(C[5]O[5]CH)	C[5](O[5]C[5,5])2(CC[6a]O)(H){1|C<3>,1|H<1>,2|O<2>}	C(C[6a]C[6a]2)(C[5]O[5]2H)(O)	O[5](C[5,5]C[5,5]C[6a]O[5])(C[5]O[5]CH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	109.9462	1.368	10	109.9462	1.873	10	109.4216	2.269	20	109.4216	2.269	20	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	2:2:3:1:	3:4:1:	4:4:	O[5]-2:O[5]-2:C-3:H-1:	C[6a]-3:C[5]-4:O-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CC[6a]O)(H)	C(C[6a]C[6a]2)(C[5]O[5]2H)(O)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)	C[5](O[5]C[5,5])2(CC[6a]O)(H){1|C<3>,1|H<1>,2|O<2>}	C(C[6a]C[6a]2)(C[5]O[5]2H)(O)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH){1|C<3>,1|C<4>,1|O<2>}	108.8971	1.519	10	108.8971	2.307	10	109.4216	2.269	20	109.4216	2.269	20	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	2:2:3:1:	4:2:1:	4:4:	O[5]-2:S[5]-2:C-3:H-1:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])(S[5]C[5])(COO)(H)	C(C[5]O[5]S[5]H)(OC[6])(O)	O[5](C[5]C[5]HO)(C[5]S[5]CH)	C[5](O[5]C[5])(S[5]C[5])(COO)(H){1|O<2>,3|H<1>}	C(C[5]O[5]S[5]H)(OC[6])(O)	O[5](C[5]C[5]HO)(C[5]S[5]CH){2|H<1>}	109.6940	0.000	1	109.6940	0.000	1	109.6940	0.000	1	109.6940	0.000	1	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	2:2:3:3:	4:1:1:	4:4:	O[5]-2:O[5]-2:C-3:C-3:	C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CHH)2	C(C[5]O[5]2C)(H)2	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](O[5]C[5])2(CHH)2{1|C<4>,3|H<1>}	C(C[5]O[5]2C)(H)2	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	109.3325	0.470	2	109.3325	0.221	2	109.5433	5.806	4	109.5433	5.806	4	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	2:2:3:3:	4:1:1:	4:4:	O[5]-2:O[5]-2:C-3:C-3:	C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CHH)2	C(C[5]O[5]2C)(H)2	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](O[5]C[5])2(CHH)2{1|C<4>,3|H<1>}	C(C[5]O[5]2C)(H)2	O[5](C[5]C[5]HH)(C[5]O[5]CC){1|C<4>,1|H<1>}	109.7540	4.125	2	109.7540	17.018	2	109.5433	5.806	4	109.5433	5.806	4	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	2:2:4:3:	4:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-3:	C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)(CHH)	C(C[5]O[5]2C)(H)2	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)(CHH){1|C<4>,1|O<2>,2|H<1>}	C(C[5]O[5]2C)(H)2	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC){1|C<4>,2|H<1>,2|O<2>}	111.1550	0.000	1	109.8705	3.300	2	109.1000	2.204	4	109.1000	2.204	4	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	2:2:4:3:	4:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-3:	C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)(CHH)	C(C[5]O[5]2C)(H)2	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)(CHH){2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)2	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	108.5860	0.000	1	109.8705	3.300	2	109.1000	2.204	4	109.1000	2.204	4	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	2:2:4:3:	4:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-3:	C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)(CHH)	C(C[5]O[5]2C)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)(CHH){2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	107.6450	0.000	1	107.6450	0.000	1	109.1000	2.204	4	109.1000	2.204	4	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	2:2:4:3:	4:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-3:	C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)(CHH)	C(C[5]O[5]2C)(H)2	O[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)(CHH){1|C<4>,1|O<2>,2|H<1>}	C(C[5]O[5]2C)(H)2	O[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CC){1|H<1>,2|C<4>}	109.0140	0.000	1	109.0140	0.000	1	109.1000	2.204	4	109.1000	2.204	4	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	2:2:4:3:	4:2:1:	4:4:	O[5]-2:O[5]-2:C-4:C-3:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CC3)(COO)	C(C[5]O[5]2C)(OH)(O)	O[5](C[5]C[5]CO)(C[5]O[5]CC)	C[5](O[5]C[5])2(CC3)(COO){1|C<4>,1|O<1>,1|O<2>}	C(C[5]O[5]2C)(OH)(O)	O[5](C[5]C[5]CO)(C[5]O[5]CC){1|O<1>}	110.0740	0.000	1	110.0740	0.000	1	108.9330	2.604	2	108.9330	2.604	2	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	2:2:4:3:	4:2:1:	4:4:	O[5]-2:O[5]-2:C-4:C-3:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CH3)(COO)	C(C[5]O[5]2C)(OC)(O)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](O[5]C[5])2(CH3)(COO){1|C<4>,1|H<1>,1|O<1>}	C(C[5]O[5]2C)(OC)(O)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|O<1>}	107.7920	0.000	1	107.7920	0.000	1	108.9330	2.604	2	108.9330	2.604	2	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	2:2:4:3:	4:3:1:	4:4:	O[5]-2:O[5]-2:C-4:C-3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CC[5]CH)(CCH)	C(C[5]O[5]2C)(CHH)(H)	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](O[5]C[5])2(CC[5]CH)(CCH){4|H<1>}	C(C[5]O[5]2C)(CHH)(H)	O[5](C[5]C[5]HH)(C[5]O[5]CC){2|H<1>}	109.6745	2.440	2	109.6745	5.955	2	109.6745	5.955	2	109.6745	5.955	2	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	2:3:3:1:	4:3:1:	4:4:	O[5]-2:C[5]-3:C-3:H-1:	C[5]-4:C[6a]-3:O-1:	C[5,6,6]-4:C[5]-4:	C[5](O[5]C[5,6,6])(C[5]N[5,6]O)(CC[6a]O)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(O)	O[5](C[5,6,6]C[6,6]N[5,6]N[6])(C[5]C[5]CH)	C[5](O[5]C[5,6,6])(C[5]N[5,6]O)(CC[6a]O)(H){1|N<3>,2|C<4>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(O)	O[5](C[5,6,6]C[6,6]N[5,6]N[6])(C[5]C[5]CH){1|O<1>,2|C<3>,4|C<4>}	109.5550	0.000	1	109.5550	0.000	1	109.5550	0.000	1	109.5550	0.000	1	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	2:3:4:3:	4:2:1:	4:4:	O[5]-2:C[5]-3:C-4:C-3:	C[5]-4:O-2:O-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])(C[5]C[5]O)(CC[6a]HO)(COO)	C(C[5]C[5]O[5]C)(OC)(O)	O[5](C[5,5]C[5]3)(C[5]C[5]CC)	C[5](O[5]C[5,5])(C[5]C[5]O)(CC[6a]HO)(COO){2|C<4>,2|H<1>}	C(C[5]C[5]O[5]C)(OC)(O)	O[5](C[5,5]C[5]3)(C[5]C[5]CC){1|O<1>,3|C<4>,5|H<1>}	108.9710	0.000	1	108.9710	0.000	1	108.9710	0.000	1	108.9710	0.000	1	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:3:1:	4:2:1:	3:4:	C[5]-3:O[5]-2:C-3:H-1:	C[5]-4:O-2:O-1:	N[5]-3:C[5]-4:	C[5](C[5]C[5]C)(O[5]N[5])(COO)(H)	C(C[5]C[5]O[5]H)(OC)(O)	O[5](N[5]C[6a]C[5])(C[5]C[5]CH)	C[5](C[5]C[5]C)(O[5]N[5])(COO)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]O[5]H)(OC)(O)	O[5](N[5]C[6a]C[5])(C[5]C[5]CH){1|C<4>,1|H<1>,3|C<3>}	110.6480	0.000	1	110.6480	0.000	1	110.6480	0.000	1	110.6480	0.000	1	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:3:1:	4:3:1:	4:4:	C[5,6]-3:O[5]-2:C-3:H-1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(CCH)(H)	C(C[5]C[5,6]O[5]H)(CCH)(H)	O[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(CCH)(H){1|O<2>,2|C<4>,3|H<1>}	C(C[5]C[5,6]O[5]H)(CCH)(H)	O[5](C[5]C[5,6]CH)(C[5]C[5,6]HH){2|C<4>}	111.0300	0.000	1	111.0300	0.000	1	111.0300	0.000	1	109.7977	0.711	7	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:3:1:	4:3:1:	4:4:	C[5]-3:O[5]-2:C-3:H-1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]C)(O[5]C[5])(CCH)(H)	C(C[5]C[5]O[5]H)(CCC)(H)	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]C)(O[5]C[5])(CCH)(H){1|C<4>,2|H<1>}	C(C[5]C[5]O[5]H)(CCC)(H)	O[5](C[5]C[5]CH)(C[5]C[5]HH){2|C<4>}	109.1465	0.384	2	109.1465	0.147	2	109.1465	0.147	2	109.7977	0.711	7	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:3:1:	4:3:1:	4:4:	N[5,5a]-3:O[5]-2:C-3:H-1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(O[5]C[5])(CCH)(H)	C(C[5]N[5,5a]O[5]H)(CC[6a]H)(H)	O[5](C[5]C[5,5a]CC)(C[5]N[5,5a]CH)	C[5](N[5,5a]C[5a,6a]C[5,5a])(O[5]C[5])(CCH)(H){2|C<4>,3|C<3>}	C(C[5]N[5,5a]O[5]H)(CC[6a]H)(H)	O[5](C[5]C[5,5a]CC)(C[5]N[5,5a]CH){2|C<3>}	110.2320	0.000	1	110.2320	0.000	1	110.2320	0.000	1	109.7977	0.711	7	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:3:1:	4:3:1:	4:4:	N[5]-3:O[5]-2:C-3:H-1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:	C[5](N[5]C[5]O)(O[5]C[5])(CCH)(H)	C(C[5]N[5]O[5]H)(CCH)(H)	O[5](C[5]C[5]CC)(C[5]N[5]CH)	C[5](N[5]C[5]O)(O[5]C[5])(CCH)(H){1|O<1>,2|C<4>}	C(C[5]N[5]O[5]H)(CCH)(H)	O[5](C[5]C[5]CC)(C[5]N[5]CH){1|O<1>,1|O<2>}	110.2300	0.000	1	110.2300	0.000	1	110.2300	0.000	1	109.7977	0.711	7	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:3:1:	4:3:1:	4:4:	N[5]-3:O[5]-2:C-3:H-1:	C[5]-4:C[6a]-3:O-1:	C[5,5]-4:C[5]-4:	C[5](N[5]C[5,5]C)(O[5]C[5,5])(CC[6a]O)(H)	C(C[5]N[5]O[5]H)(C[6a]C[6a]2)(O)	O[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]CH)	C[5](N[5]C[5,5]C)(O[5]C[5,5])(CC[6a]O)(H){1|H<1>,1|N<3>,2|C<3>}	C(C[5]N[5]O[5]H)(C[6a]C[6a]2)(O)	O[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]CH){1|C<4>,1|H<1>,5|C<3>}	109.3995	1.029	2	109.3995	1.059	2	109.3995	1.059	2	109.7977	0.711	7	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:3:1:	4:3:3:	4:4:	N[5]-3:O[5]-2:C-3:H-1:	C[5]-4:C-3:C-3:	C[5]-4:C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(CCC)(H)	C(C[5]N[5]O[5]H)(CC[6a]O)2	O[5](C[5]C[5]HH)(C[5]N[5]CH)	C[5](N[5]C[5]C)(O[5]C[5])(CCC)(H){1|C<3>,3|H<1>}	C(C[5]N[5]O[5]H)(CC[6a]O)2	O[5](C[5]C[5]HH)(C[5]N[5]CH){1|H<1>,2|C<3>}	112.7130	0.000	1	111.0470	5.551	2	111.0470	5.551	2	111.0470	5.551	2	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:3:1:	4:3:3:	4:4:	N[5]-3:O[5]-2:C-3:H-1:	C[5]-4:C-3:C-3:	C[5]-4:C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(CCC)(H)	C(C[5]N[5]O[5]H)(CC[6a]O)2	O[5](C[5]C[5]HH)(C[5]N[5]CH)	C[5](N[5]C[5]C)(O[5]C[5])(CCC)(H){2|C<4>,2|H<1>}	C(C[5]N[5]O[5]H)(CC[6a]O)2	O[5](C[5]C[5]HH)(C[5]N[5]CH){1|C<3>,2|C<4>}	109.3810	0.000	1	111.0470	5.551	2	111.0470	5.551	2	111.0470	5.551	2	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:3:2:	4:4:3:	4:4:	C[5,6a]-3:O[5]-2:C-3:O-2:	C[5]-4:C-4:C-3:	C[5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCC)(OH)	C(C[5]C[5,6a]O[5]O)(CC[6a]CH)(CCH)	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]CO)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCC)(OH){1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]O[5]O)(CC[6a]CH)(CCH)	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]CO){2|C<3>}	109.2900	0.000	1	109.2900	0.000	1	109.2900	0.000	1	109.2900	0.000	1	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:3:3:	4:2:1:	4:4:	C[5]-3:O[5]-2:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-4:	C[5](C[5]N[5]C)(O[5]C[5])(COO)2	C(C[5]C[5]O[5]C)(OC)(O)	O[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)	C[5](C[5]N[5]C)(O[5]C[5])(COO)2{1|H<1>,2|C<3>}	C(C[5]C[5]O[5]C)(OC)(O)	O[5](C[5]C[6a]N[5]H)(C[5]C[5]CC){4|C<3>}	108.1940	2.695	2	108.1940	7.266	2	108.1940	7.266	2	108.1940	7.266	2	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:3:3:	4:3:1:	4:4:	C[5]-3:O[5]-2:C-3:C-3:	C[5]-4:C[6a]-3:O-1:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]C[5])(O[5]C[5])(CC[6a]O)2	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(O)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)	C[5](C[5]C[6a]C[5])(O[5]C[5])(CC[6a]O)2{2|H<1>,3|C<3>}	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(O)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC){1|H<1>,3|C<3>}	109.4898	1.187	4	109.4898	1.410	4	109.4898	1.410	4	108.5372	5.594	5	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:3:3:	4:3:1:	4:4:	C[6a]-3:O[5]-2:C[5]-3:C-3:	C[5]-4:C[6a]-3:O-1:	C[5,5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5,5])(C[5]N[5]H)(CC[6a]O)	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(O)	O[5](C[5,5]C[5]N[5]2)(C[5]C[6a]C[5]C)	C[5](C[6a]C[6a]2)(O[5]C[5,5])(C[5]N[5]H)(CC[6a]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(O)	O[5](C[5,5]C[5]N[5]2)(C[5]C[6a]C[5]C){1|C<4>,3|H<1>,4|C<3>}	104.7270	0.000	1	104.7270	0.000	1	104.7270	0.000	1	108.5372	5.594	5	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:3:4:	4:3:1:	4:4:	C[5]-3:O[5]-2:C-3:C-4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]Si)(O[5]C[5])(CN[5]O)(CH3)	C(C[5]C[5]O[5]C)(N[5]C[5]2)(O)	O[5](C[5]C[5]CC)(C[5]C[5]HH)	C[5](C[5]C[5]Si)(O[5]C[5])(CN[5]O)(CH3){3|H<1>}	C(C[5]C[5]O[5]C)(N[5]C[5]2)(O)	O[5](C[5]C[5]CC)(C[5]C[5]HH){1|Si<4>,1|H<1>}	110.0480	0.000	1	110.0480	0.000	1	110.0480	0.000	1	110.0480	0.000	1	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:3:	4:2:1:	4:4:	C[5]-3:O[5]-2:C-4:C-3:	C[5]-4:O-2:O-1:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]O)(O[5]C[5,6])(CH3)(COO)	C(C[5]C[5]O[5]C)(OC)(O)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)	C[5](C[5]C[5,6]O)(O[5]C[5,6])(CH3)(COO){1|C<3>,3|C<4>}	C(C[5]C[5]O[5]C)(OC)(O)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	109.3080	0.000	1	111.5200	9.786	2	111.5200	9.786	2	110.1540	10.491	3	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:3:	4:2:1:	4:4:	C[5]-3:O[5]-2:C-4:C-3:	C[5]-4:O-2:O-1:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]O)(O[5]C[5,6])(CH3)(COO)	C(C[5]C[5]O[5]C)(OC)(O)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)	C[5](C[5]C[5,6]O)(O[5]C[5,6])(CH3)(COO){4|C<4>}	C(C[5]C[5]O[5]C)(OC)(O)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC){1|O<1>,2|H<1>,3|C<4>}	113.7320	0.000	1	111.5200	9.786	2	111.5200	9.786	2	110.1540	10.491	3	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:3:	4:2:1:	4:4:	C[5]-3:O[5]-2:C-4:C-3:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O)(O[5]C[5])(CCCH)(COO)	C(C[5]C[5]O[5]C)(OC)(O)	O[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](C[5]C[5]O)(O[5]C[5])(CCCH)(COO){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]C)(OC)(O)	O[5](C[5]C[5]CC)(C[5]C[5]CH){1|O<1>,2|H<1>}	107.4220	0.000	1	107.4220	0.000	1	107.4220	0.000	1	110.1540	10.491	3	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:3:	4:4:1:	4:4:	C[5]-3:O[5]-2:C-4:C-3:	C[5]-4:C-4:O-1:	B[5]-4:C[5]-4:	C[5](C[5]N[5]O[5])(O[5]B[5])(CCCH)(CCO)	C(C[5]C[5]O[5]C)(CH3)(O)	O[5](B[5]O[5]FF)(C[5]C[5]CC)	C[5](C[5]N[5]O[5])(O[5]B[5])(CCCH)(CCO){2|C<4>,2|F<1>}	C(C[5]C[5]O[5]C)(CH3)(O)	O[5](B[5]O[5]FF)(C[5]C[5]CC){1|N<3>}	109.4437	0.814	4	109.4437	0.663	4	109.1073	0.703	13	108.4535	2.569	17	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:3:	4:4:1:	4:4:	C[5]-3:O[5]-2:C-4:C-3:	C[5]-4:C-4:O-1:	B[5]-4:C[5]-4:	C[5](C[5]N[6]O[5])(O[5]B[5])(CCCH)(CCO)	C(C[5]C[5]O[5]C)(CH3)(O)	O[5](B[5]O[5]FF)(C[5]C[5]CC)	C[5](C[5]N[6]O[5])(O[5]B[5])(CCCH)(CCO){2|C<4>,2|F<1>}	C(C[5]C[5]O[5]C)(CH3)(O)	O[5](B[5]O[5]FF)(C[5]C[5]CC){1|N<3>}	109.4970	0.887	4	109.4970	0.787	4	109.1073	0.703	13	108.4535	2.569	17	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:3:	4:4:1:	4:4:	C[5]-3:O[5]-2:C-4:C-3:	C[5]-4:C-4:O-1:	B[5]-4:C[5]-4:	C[5](C[5]N[6]O[5])(O[5]B[5])(CC[5]CH)(CCO)	C(C[5]C[5]O[5]C)(CH3)(O)	O[5](B[5]O[5]FF)(C[5]C[5]CC)	C[5](C[5]N[6]O[5])(O[5]B[5])(CC[5]CH)(CCO){2|C<4>,2|F<1>}	C(C[5]C[5]O[5]C)(CH3)(O)	O[5](B[5]O[5]FF)(C[5]C[5]CC){1|N<3>}	109.1360	0.000	1	109.1360	0.000	1	109.1073	0.703	13	108.4535	2.569	17	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:3:	4:4:1:	4:4:	C[5]-3:O[5]-2:C-4:C-3:	C[5]-4:C-4:O-1:	B[5]-4:C[5]-4:	C[5](C[5]O[5]N)(O[5]B[5])(CCCH)(CCO)	C(C[5]C[5]O[5]C)(CH3)(O)	O[5](B[5]O[5]FF)(C[5]C[5]CC)	C[5](C[5]O[5]N)(O[5]B[5])(CCCH)(CCO){2|F<1>}	C(C[5]C[5]O[5]C)(CH3)(O)	O[5](B[5]O[5]FF)(C[5]C[5]CC){1|N<3>}	108.3740	0.539	4	108.3740	0.290	4	109.1073	0.703	13	108.4535	2.569	17	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:3:	4:4:1:	4:4:	N[5,5]-3:O[5]-2:C-4:C-3:	C[5]-4:C-4:O-1:	C[5]-4:C[5]-4:	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CH3)(CCO)	C(C[5]N[5,5]O[5]C)(CH3)(O)	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CC)	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>}	C(C[5]N[5,5]O[5]C)(CH3)(O)	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CC){1|C<4>,2|C<3>}	106.3285	1.737	4	106.3285	3.018	4	106.3285	3.018	4	108.4535	2.569	17	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:3:2:3:	4:2:1:	4:4:	C[5]-3:C[6a]-3:O[5]-2:C-3:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(COO)	C(C[5]C[6a]C[5]O[5])(OH)(O)	O[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(COO){4|C<3>,5|H<1>}	C(C[5]C[6a]C[5]O[5])(OH)(O)	O[5](C[5]C[6a]C[5]C)(C[5]C[5]HH){1|H<1>,3|C<3>}	107.2160	0.000	1	107.2160	0.000	1	107.2160	0.000	1	107.2160	0.000	1	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:3:2:3:	4:3:1:	4:4:	C[6a]-3:C[5]-3:O[5]-2:C-3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(CCH)	C(C[5]C[6a]C[5]O[5])(CC[6a]H)(H)	O[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(CCH){1|N<3>,2|C<3>,4|H<1>}	C(C[5]C[6a]C[5]O[5])(CC[6a]H)(H)	O[5](C[5]C[6a]C[5]C)(C[5]C[5]HH){1|N<3>,3|C<3>}	107.3660	0.000	1	107.3660	0.000	1	107.3660	0.000	1	107.2040	0.052	2	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:3:2:3:	4:3:1:	4:4:	C[6a]-3:C[5]-3:O[5]-2:C-3:	C[5]-4:C[6a]-3:O-1:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(CC[6a]O)	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(O)	O[5](C[5]C[6a]C[5]C)(C[5]C[5]OO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(CC[6a]O){2|H<1>,2|O<2>,3|C<3>}	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(O)	O[5](C[5]C[6a]C[5]C)(C[5]C[5]OO){4|C<3>}	107.0420	0.000	1	107.0420	0.000	1	107.0420	0.000	1	107.2040	0.052	2	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:3:2:3:	4:3:3:	4:4:	C[5,6a]-3:C[6a]-3:O[5]-2:C-3:	C[5]-4:C-3:C-3:	C[5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(CCC)	C(C[5]C[5,6a]C[6a]O[5])(CC[6]P[6])(CHH)	O[5](C[5]C[5,6a]C[6a]C[6])(C[5]C[5,6a]C[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(CCC){1|C<4>,3|H<1>,5|C<3>}	C(C[5]C[5,6a]C[6a]O[5])(CC[6]P[6])(CHH)	O[5](C[5]C[5,6a]C[6a]C[6])(C[5]C[5,6a]C[6a]C){1|C<4>,1|H<1>,7|C<3>}	105.1280	0.000	1	105.1280	0.000	1	105.1280	0.000	1	105.1280	0.000	1	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:4:2:3:	4:2:1:	4:4:	C[5]-3:C-4:O[5]-2:C-3:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]C)(CC[6a]HH)(O[5]C[5])(COO)	C(C[5]C[5]O[5]C)(OC)(O)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)	C[5](C[5]C[5]C)(CC[6a]HH)(O[5]C[5])(COO){1|H<1>,2|C<3>}	C(C[5]C[5]O[5]C)(OC)(O)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC){4|C<3>}	107.2130	0.000	1	107.2130	0.000	1	108.9027	11.981	4	108.8808	8.988	5	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:4:2:3:	4:2:1:	4:4:	C[5]-3:C-4:O[5]-2:C-3:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O)(CC[6a]CH)(O[5]C[5])(COO)	C(C[5]C[5]O[5]C)(OC)(O)	O[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](C[5]C[5]O)(CC[6a]CH)(O[5]C[5])(COO){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]C)(OC)(O)	O[5](C[5]C[5]CC)(C[5]C[5]CH){1|O<1>,2|H<1>}	109.4660	4.009	3	109.4660	16.068	3	108.9027	11.981	4	108.8808	8.988	5	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:4:2:3:	4:2:1:	4:4:	C[6a]-3:C[5]-4:O[5]-2:C-3:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(COO)	C(C[5]C[6a]C[5]O[5])(OC)(O)	O[5](C[5]C[6a]C[5]C)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(COO){3|C<3>,3|H<1>}	C(C[5]C[6a]C[5]O[5])(OC)(O)	O[5](C[5]C[6a]C[5]C)(C[5]C[6a]O[5]H){2|C<2>,4|C<3>}	108.7930	0.000	1	108.7930	0.000	1	108.7930	0.000	1	108.8808	8.988	5	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:4:2:3:	4:3:1:	4:4:	C[6a]-3:C[5]-4:O[5]-2:C-3:	C[5]-4:C[6a]-3:O-1:	C[5,5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]HO)(O[5]C[5,5])(CC[6a]O)	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(O)	O[5](C[5,5]C[5]N[5]2)(C[5]C[6a]C[5]C)	C[5](C[6a]C[6a]2)(C[5]N[5]HO)(O[5]C[5,5])(CC[6a]O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(O)	O[5](C[5,5]C[5]N[5]2)(C[5]C[6a]C[5]C){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	108.4300	0.000	1	108.4300	0.000	1	108.4300	0.000	1	108.4300	0.000	1	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	3:4:1:	4:3:	C[5]-4:O[5]-2:C-3:H-1:	C[5a]-3:C[5]-4:O-1:	C[5]-4:N[5]-3:	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CC[5a]O)(H)	C(C[5a]C[5a]S[5a])(C[5]C[5]O[5]H)(O)	O[5](C[5]C[5]CH)(N[5]C[5]O)	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CC[5a]O)(H){1|C<4>,1|O<1>,2|C<3>}	C(C[5a]C[5a]S[5a])(C[5]C[5]O[5]H)(O)	O[5](C[5]C[5]CH)(N[5]C[5]O){1|C<3>,1|C<4>,1|H<1>}	110.0820	0.000	1	110.0820	0.000	1	110.0820	0.000	1	110.0820	0.000	1	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:1:1:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:Cl-1:O-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CClO)(H)	C(C[5]C[5]O[5]H)(Cl)(O)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CClO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(Cl)(O)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<3>,1|H<1>}	112.4280	0.470	2	112.4280	0.220	2	112.4280	0.220	2	111.0074	2.466	5	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:1:1:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:O-1:O-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(O[5]C[5,5])(COO)(H)	C(C[5]C[5]O[5]H)(O)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]C[6a]H)(O[5]C[5,5])(COO)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(C[5]C[5]O[5]H)(O)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<4>,2|C<3>,2|H<1>}	111.4380	0.000	1	111.4380	0.000	1	111.4380	0.000	1	111.0074	2.466	5	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:1:1:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:O-1:O-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(COO)(H)	C(C[5]C[5]O[5]H)(O)2	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(COO)(H){1|N<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(O)2	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	109.3715	0.262	2	109.3715	0.069	2	109.3715	0.069	2	111.0074	2.466	5	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:2:1:	3:4:	C[5,5]-4:O[5]-2:C-3:H-1:	C[5]-4:O-2:O-1:	N[5]-3:C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(O[5]N[5])(COO)(H)	C(C[5]C[5,5]O[5]H)(OC)(O)	O[5](N[5]C[5,5]C[6a])(C[5]C[5,5]CH)	C[5](C[5,5]C[5,6a]C[5,5]H)(O[5]N[5])(COO)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[5]C[5,5]O[5]H)(OC)(O)	O[5](N[5]C[5,5]C[6a])(C[5]C[5,5]CH){1|C<4>,2|H<1>,3|C<3>}	107.2440	0.000	1	107.2440	0.000	1	107.6685	0.360	2	108.1647	1.909	18	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:2:1:	3:4:	C[5,5]-4:O[5]-2:C-3:H-1:	C[5]-4:O-2:O-1:	N[5]-3:C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(O[5]N[5])(COO)(H)	C(C[5]C[5,5]O[5]H)(OC)(O)	O[5](N[5]C[6a]C[5])(C[5]C[5,5]CH)	C[5](C[5,5]C[5,6a]C[5]2)(O[5]N[5])(COO)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C(C[5]C[5,5]O[5]H)(OC)(O)	O[5](N[5]C[6a]C[5])(C[5]C[5,5]CH){1|H<1>,5|C<3>}	108.0930	0.000	1	108.0930	0.000	1	107.6685	0.360	2	108.1647	1.909	18	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:2:1:	3:4:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5]-4:O-2:O-1:	N[5,6]-3:C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]N[5,6])(COO)(H)	C(C[5]C[5,6]O[5]H)(OC)(O)	O[5](N[5,6]C[5,6,6]O[6])(C[5]C[5,6]CH)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]N[5,6])(COO)(H){1|O<2>,2|C<4>,3|H<1>}	C(C[5]C[5,6]O[5]H)(OC)(O)	O[5](N[5,6]C[5,6,6]O[6])(C[5]C[5,6]CH){2|H<1>,3|C<4>}	107.3750	0.185	2	107.3750	0.034	2	107.3750	0.034	2	108.1647	1.909	18	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:2:1:	3:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:O-2:O-1:	N[5,5]-3:C[5]-4:	C[5](C[5]C[3x5]HH)(O[5]N[5,5])(COO)(H)	C(C[5]C[5]O[5]H)(OC)(O)	O[5](N[5,5]C[3x5]O[5])(C[5]C[5]CH)	C[5](C[5]C[3x5]HH)(O[5]N[5,5])(COO)(H){1|O<2>,2|C<4>}	C(C[5]C[5]O[5]H)(OC)(O)	O[5](N[5,5]C[3x5]O[5])(C[5]C[5]CH){2|H<1>,3|C<4>}	107.7698	2.487	4	107.7698	6.183	4	107.7698	6.183	4	108.1647	1.909	18	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:2:1:	3:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:O-2:O-1:	N[5,6]-3:C[5]-4:	C[5](C[5]C[5,6,6]HH)(O[5]N[5,6])(COO)(H)	C(C[5]C[5]O[5]H)(OC)(O)	O[5](N[5,6]C[5,6,6]O[6])(C[5]C[5]CH)	C[5](C[5]C[5,6,6]HH)(O[5]N[5,6])(COO)(H){1|C<3>,1|C<4>,1|O<2>}	C(C[5]C[5]O[5]H)(OC)(O)	O[5](N[5,6]C[5,6,6]O[6])(C[5]C[5]CH){1|C<3>,2|C<4>,2|H<1>}	106.4890	0.000	1	106.4890	0.000	1	107.2250	1.083	2	108.1647	1.909	18	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:2:1:	3:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:O-2:O-1:	N[5,6]-3:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]N[5,6])(COO)(H)	C(C[5]C[5]O[5]H)(OC)(O)	O[5](N[5,6]C[5,6]2)(C[5]C[5]CH)	C[5](C[5]C[5,6]HH)(O[5]N[5,6])(COO)(H){1|H<1>,2|C<4>}	C(C[5]C[5]O[5]H)(OC)(O)	O[5](N[5,6]C[5,6]2)(C[5]C[5]CH){1|O<2>,2|C<4>,4|H<1>}	107.9610	0.000	1	107.9610	0.000	1	107.2250	1.083	2	108.1647	1.909	18	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:2:1:	3:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:O-2:O-1:	N[5]-3:C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]N[5])(COO)(H)	C(C[5]C[5]O[5]H)(OC)(O)	O[5](N[5]C[5,5]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,5]HH)(O[5]N[5])(COO)(H){1|C<3>,2|C<4>}	C(C[5]C[5]O[5]H)(OC)(O)	O[5](N[5]C[5,5]C[6a])(C[5]C[5]CH){2|C<3>,2|C<4>,2|H<1>}	109.1920	0.000	1	109.1920	0.000	1	108.9055	0.902	4	108.1647	1.909	18	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:2:1:	3:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:O-2:O-1:	N[5]-3:C[5]-4:	C[5](C[5]C[5]CH)(O[5]N[5])(COO)(H)	C(C[5]C[5]O[5]H)(OC)(O)	O[5](N[5]C[6a]C[5])(C[5]C[5]CH)	C[5](C[5]C[5]CH)(O[5]N[5])(COO)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]O[5]H)(OC)(O)	O[5](N[5]C[6a]C[5])(C[5]C[5]CH){1|C<4>,2|H<1>,3|C<3>}	109.6000	0.000	1	108.8100	1.298	3	108.9055	0.902	4	108.1647	1.909	18	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:2:1:	3:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:O-2:O-1:	N[5]-3:C[5]-4:	C[5](C[5]C[5]CH)(O[5]N[5])(COO)(H)	C(C[5]C[5]O[5]H)(OC)(O)	O[5](N[5]C[6a]C[5])(C[5]C[5]CH)	C[5](C[5]C[5]CH)(O[5]N[5])(COO)(H){1|H<1>,2|C<3>}	C(C[5]C[5]O[5]H)(OC)(O)	O[5](N[5]C[6a]C[5])(C[5]C[5]CH){2|H<1>,4|C<3>}	108.4150	1.288	2	108.8100	1.298	3	108.9055	0.902	4	108.1647	1.909	18	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:2:1:	3:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:O-2:O-1:	P[5]-3:C[5]-4:	C[5](C[5]O[5]CH)(O[5]P[5])(COO)(H)	C(C[5]C[5]O[5]H)(OC)(O)	O[5](P[5]C[5]O[5])(C[5]C[5]CH)	C[5](C[5]O[5]CH)(O[5]P[5])(COO)(H){1|C<4>}	C(C[5]C[5]O[5]H)(OC)(O)	O[5](P[5]C[5]O[5])(C[5]C[5]CH){1|C<3>,2|C<4>,2|H<1>}	108.9317	0.588	4	108.9317	0.346	4	108.9317	0.346	4	108.1647	1.909	18	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:2:1:	4:3:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5]-4:O-2:O-1:	C[5]-4:N[5]-3:	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(COO)(H)	C(C[5]C[5,6]O[5]H)(OC)(O)	O[5](C[5]C[5,6]CH)(N[5]C[5,6]C)	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(COO)(H){3|C<4>,3|H<1>}	C(C[5]C[5,6]O[5]H)(OC)(O)	O[5](C[5]C[5,6]CH)(N[5]C[5,6]C){2|C<4>,2|H<1>}	110.5485	2.119	2	110.5485	4.491	2	110.5485	4.491	2	111.0968	6.342	4	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:2:1:	4:3:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:O-2:O-1:	C[5]-4:N[5]-3:	C[5](C[5]C[5]CH)(O[5]N[5])(COO)(H)	C(C[5]C[5]O[5]H)(OC)(O)	O[5](C[5]C[5]CH)(N[5]C[5]C)	C[5](C[5]C[5]CH)(O[5]N[5])(COO)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]O[5]H)(OC)(O)	O[5](C[5]C[5]CH)(N[5]C[5]C){2|C<3>,2|H<1>}	111.6450	3.651	2	111.6450	13.333	2	111.6450	13.333	2	111.0968	6.342	4	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:2:1:	4:4:	C[5,5]-4:O[5]-2:C-3:Br-1:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(COO)(Br)	C(C[5]C[5,5]O[5]Br)(OC)(O)	O[5](C[5]C[5,5]BrC)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(COO)(Br){1|C<4>,1|O<2>,3|H<1>}	C(C[5]C[5,5]O[5]Br)(OC)(O)	O[5](C[5]C[5,5]BrC)(C[5]C[5,5]HH){2|H<1>,2|O<2>}	109.6350	0.000	1	109.6350	0.000	1	109.6350	0.000	1	110.7102	7.486	45	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:2:1:	4:4:	C[5,5]-4:O[5]-2:C-3:H-1:	C[5]-4:O-2:O-1:	C[5]-4:S[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]H)(O[5]S[5])(COO)(H)	C(C[5]C[5,5]O[5]H)(OC)(O)	O[5](C[5]C[5,5]CH)(S[5]N[5,5]OO)	C[5](C[5,5]C[5,6a]N[5,5]H)(O[5]S[5])(COO)(H){1|C<4>,2|C<3>,2|O<1>}	C(C[5]C[5,5]O[5]H)(OC)(O)	O[5](C[5]C[5,5]CH)(S[5]N[5,5]OO){1|C<3>,1|C<4>,1|H<1>}	105.6820	0.000	1	105.6820	0.000	1	105.6820	0.000	1	110.7102	7.486	45	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:2:1:	4:4:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5]-4:O-2:O-1:	C[5,5]-4:C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5,5])(COO)(H)	C(C[5]C[5,6]O[5]H)(OC)(O)	O[5](C[5,5]C[5,5,6]C[5]O)(C[5]C[5,6]CH)	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5,5])(COO)(H){2|H<1>,2|O<2>,3|C<4>}	C(C[5]C[5,6]O[5]H)(OC)(O)	O[5](C[5,5]C[5,5,6]C[5]O)(C[5]C[5,6]CH){1|O<2>,3|C<4>,3|H<1>}	110.6100	0.000	2	110.6100	0.000	2	110.6100	0.000	2	110.7102	7.486	45	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:2:1:	4:4:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5]-4:O-2:O-1:	C[5,6,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(COO)(H)	C(C[5]C[5,6]O[5]H)(OC)(O)	O[5](C[5,6,6]C[5,6]C[6,6]O[6])(C[5]C[5,6]CH)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(COO)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C(C[5]C[5,6]O[5]H)(OC)(O)	O[5](C[5,6,6]C[5,6]C[6,6]O[6])(C[5]C[5,6]CH){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	110.8830	0.000	1	110.8830	0.000	1	110.8830	0.000	1	110.7102	7.486	45	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:2:1:	4:4:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5]-4:O-2:O-1:	C[5,6]-4:C[5]-4:	C[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6])(COO)(H)	C(C[5]C[5,6]O[5]H)(OC)(O)	O[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]CH)	C[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6])(COO)(H){1|C<3>,1|O<2>,3|C<4>}	C(C[5]C[5,6]O[5]H)(OC)(O)	O[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]CH){1|C<3>,2|C<4>,2|H<1>}	109.0060	0.000	1	109.6780	0.903	2	109.6780	0.903	2	110.7102	7.486	45	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:2:1:	4:4:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5]-4:O-2:O-1:	C[5,6]-4:C[5]-4:	C[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6])(COO)(H)	C(C[5]C[5,6]O[5]H)(OC)(O)	O[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]CH)	C[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6])(COO)(H){1|O<1>,3|C<4>}	C(C[5]C[5,6]O[5]H)(OC)(O)	O[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]CH){1|C<4>,2|C<3>,2|H<1>}	110.3500	0.000	1	109.6780	0.903	2	109.6780	0.903	2	110.7102	7.486	45	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:2:1:	4:4:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(COO)(H)	C(C[5]C[5,6]O[5]H)(OC)(O)	O[5](C[5]C[5,6]C[5]O)(C[5]C[5,6]CH)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(COO)(H){1|C<3>,1|O<2>,5|C<4>}	C(C[5]C[5,6]O[5]H)(OC)(O)	O[5](C[5]C[5,6]C[5]O)(C[5]C[5,6]CH){1|C<3>,2|H<1>,4|C<4>}	109.5200	0.000	1	109.5200	0.000	1	109.5200	0.000	1	110.7102	7.486	45	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:2:1:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHO)(H){1|C<4>,1|N<3>,2|H<1>}	C(C[5]C[5]O[5]H)(OH)(H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	107.5760	0.000	1	107.5760	0.000	1	107.5760	0.000	1	110.7102	7.486	45	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:2:1:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:O-2:O-1:	C[3,5]-4:C[5]-4:	C[5](C[5]C[3,5]C[6a]H)(O[5]C[3,5])(COO)(H)	C(C[5]C[5]O[5]H)(OC)(O)	O[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CH)	C[5](C[5]C[3,5]C[6a]H)(O[5]C[3,5])(COO)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[5]O[5]H)(OC)(O)	O[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CH){2|C<3>,3|H<1>}	111.4860	0.000	1	111.4860	0.000	1	111.4860	0.000	1	110.7102	7.486	45	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:2:1:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:O-2:O-1:	C[5,5,6]-4:C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5,6])(COO)(H)	C(C[5]C[5]O[5]H)(OH)(O)	O[5](C[5,5,6]C[4,5,6]C[5,5]C[6])(C[5]C[5]CH)	C[5](C[5]C[5,5]HH)(O[5]C[5,5,6])(COO)(H){1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5]O[5]H)(OH)(O)	O[5](C[5,5,6]C[4,5,6]C[5,5]C[6])(C[5]C[5]CH){2|O<2>,3|C<4>,5|H<1>}	111.3540	0.000	1	111.3540	0.000	1	111.3540	0.000	1	110.7102	7.486	45	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:2:1:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:O-2:O-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(COO)(H)	C(C[5]C[5]O[5]H)(OH)(O)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(COO)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(OH)(O)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<3>,1|C<4>,3|H<1>}	111.3490	0.000	1	111.3490	0.000	1	113.2147	4.346	3	110.7102	7.486	45	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:2:1:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:O-2:O-1:	C[5,5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5,5])(COO)(H)	C(C[5]C[5]O[5]H)(OH)(O)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CH)	C[5](C[5]O[5]CH)(O[5]C[5,5])(COO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(OH)(O)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CH){1|C<3>,2|C<4>,5|H<1>}	114.1475	1.863	2	114.1475	3.472	2	113.2147	4.346	3	110.7102	7.486	45	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:2:1:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:O-2:O-1:	C[5,6]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5,6])(COO)(H)	C(C[5]C[5]O[5]H)(OC)(O)	O[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]CH)	C[5](C[5]O[5]CH)(O[5]C[5,6])(COO)(H){1|C<3>,1|C<4>}	C(C[5]C[5]O[5]H)(OC)(O)	O[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]CH){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	113.8845	1.398	2	113.5387	1.292	6	113.4665	1.324	8	110.7102	7.486	45	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:2:1:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:O-2:O-1:	C[5,6]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5,6])(COO)(H)	C(C[5]C[5]O[5]H)(OC)(O)	O[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]CH)	C[5](C[5]O[5]CH)(O[5]C[5,6])(COO)(H){1|C<3>,1|C<4>}	C(C[5]C[5]O[5]H)(OC)(O)	O[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]CH){1|C<4>,1|I<1>,2|H<1>,3|C<3>}	113.5580	1.660	2	113.5387	1.292	6	113.4665	1.324	8	110.7102	7.486	45	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:2:1:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:O-2:O-1:	C[5,6]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5,6])(COO)(H)	C(C[5]C[5]O[5]H)(OC)(O)	O[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]CH)	C[5](C[5]O[5]CH)(O[5]C[5,6])(COO)(H){1|C<3>,1|C<4>}	C(C[5]C[5]O[5]H)(OC)(O)	O[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]CH){1|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	113.1735	1.114	2	113.5387	1.292	6	113.4665	1.324	8	110.7102	7.486	45	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:2:1:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:O-2:O-1:	C[5,6]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5,6])(COO)(H)	C(C[5]C[5]O[5]H)(OH)(O)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)	C[5](C[5]O[5]CH)(O[5]C[5,6])(COO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(OH)(O)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH){1|C<3>,2|C<4>,5|H<1>}	113.2500	1.638	2	113.2500	2.682	2	113.4665	1.324	8	110.7102	7.486	45	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:2:1:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(COO)(H)	C(C[5]C[5]O[5]H)(OC)(O)	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]CH)(O[5]C[5])(COO)(H){2|C<3>,2|H<1>}	C(C[5]C[5]O[5]H)(OC)(O)	O[5](C[5]C[5]CH)2{2|C<3>,2|H<1>}	111.2350	0.033	2	111.2350	0.001	2	109.9929	8.167	22	110.7102	7.486	45	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:2:1:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(COO)(H)	C(C[5]C[5]O[5]H)(OC)(O)	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(O[5]C[5])(COO)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(OC)(O)	O[5](C[5]C[5]CH)2{1|O<2>,3|H<1>}	109.3278	0.286	4	109.3278	0.082	4	109.9929	8.167	22	110.7102	7.486	45	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:2:1:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(COO)(H)	C(C[5]C[5]O[5]H)(OC)(O)	O[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(COO)(H){2|C<4>,2|H<1>}	C(C[5]C[5]O[5]H)(OC)(O)	O[5](C[5]C[5]CC)(C[5]C[5]CH){1|O<2>,3|H<1>}	108.0990	0.000	1	108.0990	0.000	1	109.9929	8.167	22	110.7102	7.486	45	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:2:1:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(COO)(H)	C(C[5]C[5]O[5]H)(OC)(O)	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]HO)(O[5]C[5])(COO)(H){1|O<2>,3|H<1>}	C(C[5]C[5]O[5]H)(OC)(O)	O[5](C[5]C[5]CH)(C[5]C[5]HH){2|H<1>,2|O<2>}	110.1965	0.859	2	110.1965	0.738	2	109.9929	8.167	22	110.7102	7.486	45	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:2:1:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(COO)(H)	C(C[5]C[5]O[5]H)(OC)(O)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(COO)(H){1|H<1>,1|N<3>,3|C<4>}	C(C[5]C[5]O[5]H)(OC)(O)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	110.0320	0.000	1	111.2970	3.200	2	109.9929	8.167	22	110.7102	7.486	45	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:2:1:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(COO)(H)	C(C[5]C[5]O[5]H)(OC)(O)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(COO)(H){1|H<1>,1|O<2>,3|C<4>}	C(C[5]C[5]O[5]H)(OC)(O)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	112.5620	0.000	1	111.2970	3.200	2	109.9929	8.167	22	110.7102	7.486	45	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:2:1:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(COO)(H)	C(C[5]C[5]O[5]H)(OC)(O)	O[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(COO)(H){1|H<1>,4|C<3>}	C(C[5]C[5]O[5]H)(OC)(O)	O[5](C[5]C[6a]N[5]H)(C[5]C[5]CH){1|H<1>,4|C<3>}	110.8115	1.381	2	110.8115	1.907	2	109.9929	8.167	22	110.7102	7.486	45	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:2:1:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(COO)(H)	C(C[5]C[5]O[5]H)(OC)(O)	O[5](C[5]C[6]O[5]H)(C[5]C[5]CH)	C[5](C[5]O[5]CH)(O[5]C[5])(COO)(H){1|C<4>,1|H<1>}	C(C[5]C[5]O[5]H)(OC)(O)	O[5](C[5]C[6]O[5]H)(C[5]C[5]CH){1|C<4>,2|C<3>,2|H<1>}	111.0325	1.637	2	111.0325	2.680	2	109.9929	8.167	22	110.7102	7.486	45	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:2:1:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(COO)(H)	C(C[5]C[5]O[5]H)(OC)(O)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)	C[5](C[5]O[5]CH)(O[5]C[5])(COO)(H){1|C<3>,1|H<1>}	C(C[5]C[5]O[5]H)(OC)(O)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CH){1|H<1>,3|C<3>}	108.7443	5.098	6	108.7443	25.991	6	109.9929	8.167	22	110.7102	7.486	45	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:2:1:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(COO)(H)	C(C[5]C[5]O[5]H)(OH)(O)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(COO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(OH)(O)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	112.8220	0.000	1	112.8220	0.000	1	109.9929	8.167	22	110.7102	7.486	45	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:2:1:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:O-2:O-1:	C[5]-4:S[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]S[5])(COO)(H)	C(C[5]C[5]O[5]H)(OC)(O)	O[5](C[5]C[5]CH)(S[5]N[5]OO)	C[5](C[5]C[6a]N[5]H)(O[5]S[5])(COO)(H){1|H<1>,2|C<3>,2|O<1>}	C(C[5]C[5]O[5]H)(OC)(O)	O[5](C[5]C[5]CH)(S[5]N[5]OO){1|C<3>,2|H<1>}	108.0260	0.000	1	108.0260	0.000	1	108.0260	0.000	1	110.7102	7.486	45	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:3:1:	4:3:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CCH)(H)	C(C[5]C[5]O[5]H)(CCH)(H)	O[5](C[5]C[5]CH)(N[5]C[5]O)	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CCH)(H){1|O<1>,3|C<3>}	C(C[5]C[5]O[5]H)(CCH)(H)	O[5](C[5]C[5]CH)(N[5]C[5]O){1|H<1>,2|C<3>}	107.0020	0.000	1	107.0020	0.000	1	107.0020	0.000	1	107.0020	0.000	1	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:3:1:	4:4:	C[5,5,6]-4:O[5]-2:C-3:H-1:	C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(O[5]C[5,6])(CCH)(H)	C(C[5]C[5,5,6]O[5]H)(CHH)(H)	O[5](C[5,6]C[5,5,6,6]C[6]C)(C[5]C[5,5,6]CH)	C[5](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(O[5]C[5,6])(CCH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[5]C[5,5,6]O[5]H)(CHH)(H)	O[5](C[5,6]C[5,5,6,6]C[6]C)(C[5]C[5,5,6]CH){1|N<3>,2|C<4>,4|H<1>}	111.3430	0.000	1	111.3430	0.000	1	111.3430	0.000	1	111.2962	8.445	83	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:3:1:	4:4:	C[5,5]-4:O[5]-2:C-3:H-1:	C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5,5]C[3x5]C[5,6]H)(O[5]C[5,5])(CCH)(H)	C(C[5]C[5,5]O[5]H)(CCH)(H)	O[5](C[5,5]C[3x5]C[5]O)(C[5]C[5,5]CH)	C[5](C[5,5]C[3x5]C[5,6]H)(O[5]C[5,5])(CCH)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C(C[5]C[5,5]O[5]H)(CCH)(H)	O[5](C[5,5]C[3x5]C[5]O)(C[5]C[5,5]CH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	110.1030	0.000	1	110.1030	0.000	1	110.1030	0.000	1	111.2962	8.445	83	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:3:1:	4:4:	C[5,5]-4:O[5]-2:C-3:H-1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCH)(H)	C(C[5]C[5,5]O[5]H)(CHH)(H)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCH)(H){1|C<3>,1|N<3>,3|H<1>}	C(C[5]C[5,5]O[5]H)(CHH)(H)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HH){1|N<3>,1|O<2>,2|H<1>}	109.3920	0.000	1	109.3920	0.000	1	109.3920	0.000	1	111.2962	8.445	83	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:3:1:	4:4:	C[5,6,6]-4:O[5]-2:C-3:H-1:	C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6]2)(O[5]C[5,6])(CCH)(H)	C(C[5]C[5,6,6]O[5]H)(CCC)(H)	O[5](C[5,6]C[5,6,6]C[3,6]H)(C[5]C[5,6,6]CH)	C[5](C[5,6,6]C[5,6,6]C[6]2)(O[5]C[5,6])(CCH)(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C(C[5]C[5,6,6]O[5]H)(CCC)(H)	O[5](C[5,6]C[5,6,6]C[3,6]H)(C[5]C[5,6,6]CH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	109.3847	1.373	3	109.3847	1.884	3	109.3847	1.884	3	111.2962	8.445	83	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:3:1:	4:4:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CCH)(H)	C(C[5]C[5,6]O[5]H)(CC[6a]H)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CCH)(H){1|O<1>,2|C<4>,3|H<1>}	C(C[5]C[5,6]O[5]H)(CC[6a]H)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH){1|C<3>,1|C<4>,5|H<1>}	114.6690	0.000	1	114.6690	0.000	1	114.6690	0.000	1	111.2962	8.445	83	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:3:1:	4:4:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5]-4:C[6a]-3:O-1:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5,6])(CC[6a]O)(H)	C(C[5]C[5,6]O[5]H)(C[6a]C[6a]2)(O)	O[5](C[5,6]C[5,6]C[6a]O[6])(C[5]C[5,6]CH)	C[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5,6])(CC[6a]O)(H){1|O<2>,2|H<1>,3|C<3>}	C(C[5]C[5,6]O[5]H)(C[6a]C[6a]2)(O)	O[5](C[5,6]C[5,6]C[6a]O[6])(C[5]C[5,6]CH){3|H<1>,4|C<3>}	111.3230	0.000	1	111.3230	0.000	1	111.3230	0.000	1	111.2962	8.445	83	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:3:1:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C-3:Br-1:	C[5,5]-4:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5,5])(CBrC)(H)	C(C[5]C[5]O[5]H)(CC[6a]H)(Br)	O[5](C[5,5]N[5]3)(C[5]C[5]CH)	C[5](C[5]N[5]CH)(O[5]C[5,5])(CBrC)(H){1|C<4>,2|N<3>}	C(C[5]C[5]O[5]H)(CC[6a]H)(Br)	O[5](C[5,5]N[5]3)(C[5]C[5]CH){1|C<3>,1|H<1>,5|C<4>}	109.6930	0.000	1	109.6930	0.000	1	109.6930	0.000	1	111.2962	8.445	83	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:3:1:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C-3:H-1:	C[5,5,6]-4:C[5]-4:	C[5](C[5]C[5,5]CH)(O[5]C[5,5,6])(CCH)(H)	C(C[5]C[5]O[5]H)(CHH)(H)	O[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]CH)	C[5](C[5]C[5,5]CH)(O[5]C[5,5,6])(CCH)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5]O[5]H)(CHH)(H)	O[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]CH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	109.2300	0.000	1	109.2300	0.000	1	109.2300	0.000	1	111.2962	8.445	83	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:3:1:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(CCH)(H)	C(C[5]C[5]O[5]H)(CHH)(H)	O[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]CH)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(CCH)(H){4|C<3>}	C(C[5]C[5]O[5]H)(CHH)(H)	O[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]CH){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	110.6620	0.000	1	110.6620	0.000	1	109.2755	1.245	6	111.2962	8.445	83	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:3:1:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCH)(H)	C(C[5]C[5]O[5]H)(CHS)(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCH)(H){2|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(CHS)(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<4>,2|H<1>,2|O<2>}	109.8955	0.811	2	109.8955	0.658	2	109.2755	1.245	6	111.2962	8.445	83	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:3:1:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,5])(CCH)(H)	C(C[5]C[5]O[5]H)(CCC)(H)	O[5](C[5,5]C[5]3)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5,5])(CCH)(H){1|H<1>,3|C<4>}	C(C[5]C[5]O[5]H)(CCC)(H)	O[5](C[5,5]C[5]3)(C[5]C[5]CH){4|C<4>,6|H<1>}	108.1570	0.470	2	108.1570	0.220	2	109.2755	1.245	6	111.2962	8.445	83	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:3:1:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,5])(CCH)(H)	C(C[5]C[5]O[5]H)(CHH)(H)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5,5])(CCH)(H){4|C<3>}	C(C[5]C[5]O[5]H)(CHH)(H)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	108.8860	0.000	1	108.8860	0.000	1	109.2755	1.245	6	111.2962	8.445	83	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:3:1:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(CCH)(H)	C(C[5]C[5]O[5]H)(CHH)(H)	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]CH)	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(CCH)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(CHH)(H)	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]CH){2|H<1>,3|C<4>}	109.8470	0.000	1	109.8470	0.000	1	110.4000	0.694	3	111.2962	8.445	83	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:3:1:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCH)(H)	C(C[5]C[5]O[5]H)(CCC)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCH)(H){1|H<1>,3|C<4>}	C(C[5]C[5]O[5]H)(CCC)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH){3|C<4>,4|H<1>}	109.9950	0.000	1	109.9950	0.000	1	110.4000	0.694	3	111.2962	8.445	83	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:3:1:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCH)(H)	C(C[5]C[5]O[5]H)(CHH)(H)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCH)(H){1|O<2>,3|C<4>}	C(C[5]C[5]O[5]H)(CHH)(H)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH){1|C<3>,2|C<4>,4|H<1>}	111.3580	0.000	1	111.3580	0.000	1	110.4000	0.694	3	111.2962	8.445	83	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:3:1:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5])(CCH)(H)	C(C[5]C[5]O[5]H)(CC[5]C)(H)	O[5](C[5]C[5,6]HH)(C[5]C[5]CH)	C[5](C[5]C[5,6]HH)(O[5]C[5])(CCH)(H){2|C<4>,2|H<1>}	C(C[5]C[5]O[5]H)(CC[5]C)(H)	O[5](C[5]C[5,6]HH)(C[5]C[5]CH){2|C<4>,2|H<1>}	112.2300	0.000	1	112.2300	0.000	1	110.7478	4.111	14	111.2962	8.445	83	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:3:1:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CO)(O[5]C[5])(CCH)(H)	C(C[5]C[5]O[5]H)(CHH)(H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]CO)(O[5]C[5])(CCH)(H){1|N<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(CHH)(H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	112.6480	0.000	1	112.6480	0.000	1	110.7478	4.111	14	111.2962	8.445	83	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:3:1:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCH)(H)	C(C[5]C[5]O[5]H)(CC[6a]H)(H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCH)(H){1|H<1>,3|C<3>}	C(C[5]C[5]O[5]H)(CC[6a]H)(H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){2|H<1>,4|C<3>}	112.8020	0.000	1	112.8020	0.000	1	110.7478	4.111	14	111.2962	8.445	83	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:3:1:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCH)(H)	C(C[5]C[5]O[5]H)(CC[6a]O)(H)	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCH)(H){4|H<1>}	C(C[5]C[5]O[5]H)(CC[6a]O)(H)	O[5](C[5]C[5]CH)(C[5]C[5]HH){4|H<1>}	108.8680	0.000	1	108.8680	0.000	1	110.7478	4.111	14	111.2962	8.445	83	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:3:1:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HN)(O[5]C[5])(CCH)(H)	C(C[5]C[5]O[5]H)(CC[6a]H)(H)	O[5](C[5]C[6a]C[5]C)(C[5]C[5]CH)	C[5](C[5]C[5]HN)(O[5]C[5])(CCH)(H){1|H<1>,3|C<3>}	C(C[5]C[5]O[5]H)(CC[6a]H)(H)	O[5](C[5]C[6a]C[5]C)(C[5]C[5]CH){1|N<3>,2|H<1>,3|C<3>}	111.1450	0.000	1	111.1450	0.000	1	110.7478	4.111	14	111.2962	8.445	83	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:3:1:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CCH)(H)	C(C[5]C[5]O[5]H)(CCH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]HO)(O[5]C[5])(CCH)(H){1|O<2>,3|H<1>}	C(C[5]C[5]O[5]H)(CCH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]HH){2|H<1>,2|O<2>}	113.2040	0.000	1	113.2040	0.000	1	110.7478	4.111	14	111.2962	8.445	83	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:3:1:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CCH)(H)	C(C[5]C[5]O[5]H)(CC[6]H)(H)	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HO)(O[5]C[5])(CCH)(H){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]H)(CC[6]H)(H)	O[5](C[5]C[5]CH)2{1|O<2>,3|H<1>}	107.8420	0.000	1	107.8420	0.000	1	110.7478	4.111	14	111.2962	8.445	83	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:3:1:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCH)(H)	C(C[5]C[5]O[5]H)(CCH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CCH)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CCH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	110.4740	3.099	2	110.4740	9.601	2	110.7478	4.111	14	111.2962	8.445	83	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:3:1:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCH)(H)	C(C[5]C[5]O[5]H)(CCH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CH)	C[5](C[5]O[5]CH)(O[5]C[5])(CCH)(H){1|C<4>,1|H<1>}	C(C[5]C[5]O[5]H)(CCH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CH){1|C<4>,1|H<1>}	111.8120	0.000	1	111.8120	0.000	1	110.7478	4.111	14	111.2962	8.445	83	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:3:1:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCH)(H)	C(C[5]C[5]O[5]H)(CC[6a]H)(H)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)	C[5](C[5]O[5]CH)(O[5]C[5])(CCH)(H){1|C<3>,1|H<1>}	C(C[5]C[5]O[5]H)(CC[6a]H)(H)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CH){1|C<4>,1|H<1>,2|C<3>}	111.8180	0.000	1	111.8180	0.000	1	110.7478	4.111	14	111.2962	8.445	83	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:3:1:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCH)(H)	C(C[5]C[5]O[5]H)(CHH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CCH)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CHH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	108.1790	0.124	2	108.1790	0.015	2	110.7478	4.111	14	111.2962	8.445	83	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:3:1:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CCH)(H)	C(C[5]C[5]O[5]H)(CCH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(O[5]C[5])(CCH)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CCH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){2|H<1>}	110.7940	0.000	1	110.7940	0.000	1	110.7478	4.111	14	111.2962	8.445	83	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:3:1:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C-3:O-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCO)(H)	C(C[5]C[5]O[5]H)(CCP)(O)	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCO)(H){4|H<1>}	C(C[5]C[5]O[5]H)(CCP)(O)	O[5](C[5]C[5]CH)(C[5]C[5]HH){4|H<1>}	108.8700	0.000	1	108.8700	0.000	1	110.8682	1.535	5	111.2962	8.445	83	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:3:1:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C-3:O-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCO)(H)	C(C[5]C[5]O[5]H)(CCH)(O)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CCO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CCH)(O)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<3>,1|H<1>}	111.8450	0.431	2	111.8450	0.186	2	110.8682	1.535	5	111.2962	8.445	83	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:3:1:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C-3:O-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CCO)(H)	C(C[5]C[5]O[5]H)(CCP)(O)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(O[5]C[5])(CCO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CCP)(O)	O[5](C[5]C[5]CH)(C[5]O[5]CC){2|H<1>}	110.8905	0.231	2	110.8905	0.053	2	110.8682	1.535	5	111.2962	8.445	83	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:3:1:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C[5]-3:Br-1:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CC[5]Br)(H)	C(C[5]C[5]O[5]H)(C[5]C[5]2)(Br)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CC[5]Br)(H){1|C<3>,1|H<1>,2|C<4>}	C(C[5]C[5]O[5]H)(C[5]C[5]2)(Br)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH){1|C<3>,2|C<4>,3|H<1>}	108.1450	0.000	1	108.1450	0.000	1	108.1450	0.000	1	111.2962	8.445	83	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:3:1:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]H)(H)	C(C[5]C[5]O[5]H)(C[5]C[5]N[5])(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]H)(H){2|C<4>}	C(C[5]C[5]O[5]H)(C[5]C[5]N[5])(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){2|H<1>}	107.6940	0.000	1	107.6940	0.000	1	107.6940	0.000	1	111.2962	8.445	83	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:3:1:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C[6a]-3:O-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CC[6a]O)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(O)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CC[6a]O)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(O)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH){1|C<3>,2|O<2>,4|H<1>}	111.3630	0.000	1	111.3630	0.000	1	111.3630	0.000	1	111.2962	8.445	83	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:3:1:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:N-3:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,6])(CHN)(H)	C(C[5]C[5]O[5]H)(NCO)(H)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)	C[5](C[5]O[5]HH)(O[5]C[5,6])(CHN)(H){2|C<4>}	C(C[5]C[5]O[5]H)(NCO)(H)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH){2|C<4>,6|H<1>}	108.3930	0.000	1	108.3930	0.000	1	108.3930	0.000	1	111.2962	8.445	83	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:3:1:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CHN)(H)	C(C[5]C[5]O[5]H)(NRuC)(H)	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(CHN)(H){4|H<1>}	C(C[5]C[5]O[5]H)(NRuC)(H)	O[5](C[5]C[5]CH)(C[5]C[5]HH){4|H<1>}	130.0630	0.000	1	130.0630	0.000	1	118.3890	272.565	2	111.2962	8.445	83	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:3:1:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CHN)(H)	C(C[5]C[5]O[5]H)(NCO)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CHN)(H){2|C<4>}	C(C[5]C[5]O[5]H)(NCO)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	106.7150	0.000	1	106.7150	0.000	1	118.3890	272.565	2	111.2962	8.445	83	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:3:1:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:N-3:O-1:	B[5,5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]B[5,5])(CNO)(H)	C(C[5]C[5]O[5]H)(NC[6a]H)(O)	O[5](B[5,5]O[5]3)(C[5]C[5]CH)	C[5](C[5]O[5]CH)(O[5]B[5,5])(CNO)(H){2|O<2>}	C(C[5]C[5]O[5]H)(NC[6a]H)(O)	O[5](B[5,5]O[5]3)(C[5]C[5]CH){1|C<3>,1|H<1>,2|C<4>}	111.6524	1.556	8	111.6524	2.420	8	112.6880	2.731	16	111.2962	8.445	83	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:3:1:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:N-3:O-1:	B[5,5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]B[5,5])(CNO)(H)	C(C[5]C[5]O[5]H)(NHH)(O)	O[5](B[5,5]O[5]3)(C[5]C[5]CH)	C[5](C[5]O[5]CH)(O[5]B[5,5])(CNO)(H){2|O<2>}	C(C[5]C[5]O[5]H)(NHH)(O)	O[5](B[5,5]O[5]3)(C[5]C[5]CH){1|C<3>,1|H<1>,2|C<4>}	113.7236	0.990	8	113.7236	0.981	8	112.6880	2.731	16	111.2962	8.445	83	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:3:1:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:N-3:O-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CNO)(H)	C(C[5]C[5]O[5]H)(NCH)(O)	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(O[5]C[5])(CNO)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(NCH)(O)	O[5](C[5]C[5]CH)2{1|O<2>,3|H<1>}	112.5357	0.558	3	112.5357	0.312	3	111.4682	3.578	21	111.2962	8.445	83	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:3:1:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:N-3:O-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CNO)(H)	C(C[5]C[5]O[5]H)(NHH)(O)	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(CNO)(H){4|H<1>}	C(C[5]C[5]O[5]H)(NHH)(O)	O[5](C[5]C[5]CH)(C[5]C[5]HH){4|H<1>}	111.9930	0.000	1	111.9930	0.000	1	111.4682	3.578	21	111.2962	8.445	83	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:3:1:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:N-3:O-1:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CNO)(H)	C(C[5]C[5]O[5]H)(NCH)(O)	O[5](C[5]C[5]CH)(C[5]C[5]HO)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CNO)(H){1|O<2>,2|H<1>,3|C<3>}	C(C[5]C[5]O[5]H)(NCH)(O)	O[5](C[5]C[5]CH)(C[5]C[5]HO){2|C<3>,2|H<1>}	110.9280	0.000	1	110.9280	0.000	1	111.4682	3.578	21	111.2962	8.445	83	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:3:1:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:N-3:O-1:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CNO)(H)	C(C[5]C[5]O[5]H)(NC[6a]H)(O)	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CNO)(H){2|C<3>,4|H<1>}	C(C[5]C[5]O[5]H)(NC[6a]H)(O)	O[5](C[5]C[5]CH)(C[5]C[5]HH){1|C<3>,3|H<1>}	111.6320	0.000	1	111.6320	0.000	1	111.4682	3.578	21	111.2962	8.445	83	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:3:1:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:N-3:O-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CNO)(H)	C(C[5]C[5]O[5]H)(NCO)(O)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CNO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(NCO)(O)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	107.3170	0.000	1	107.3170	0.000	1	111.4682	3.578	21	111.2962	8.445	83	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:3:1:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:N-3:O-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CNO)(H)	C(C[5]C[5]O[5]H)(NHH)(O)	O[5](C[5]C[5a]O[5]H)(C[5]C[5]CH)	C[5](C[5]O[5]CH)(O[5]C[5])(CNO)(H){1|C<3>,1|H<1>}	C(C[5]C[5]O[5]H)(NHH)(O)	O[5](C[5]C[5a]O[5]H)(C[5]C[5]CH){1|H<1>,1|S<2>,2|C<3>}	110.0685	1.896	2	110.0685	3.594	2	111.4682	3.578	21	111.2962	8.445	83	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:3:1:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:N-3:O-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CNO)(H)	C(C[5]C[5]O[5]H)(NHH)(O)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)	C[5](C[5]O[5]CH)(O[5]C[5])(CNO)(H){1|C<3>,1|H<1>}	C(C[5]C[5]O[5]H)(NHH)(O)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CH){1|H<1>,3|C<3>}	111.7683	1.933	12	111.7683	3.737	12	111.4682	3.578	21	111.2962	8.445	83	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:3:1:	4:4:	P[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C-3:H-1:	B[5]-4:C[5]-4:	C[5](P[5]C[6a]2C[5])(O[5]B[5])(CCH)(H)	C(C[5]O[5]P[5]H)(CC[6a]H)(H)	O[5](B[5]C[6a]2C[5])(C[5]P[5]CH)	C[5](P[5]C[6a]2C[5])(O[5]B[5])(CCH)(H){1|C<4>,1|H<1>,6|C<3>}	C(C[5]O[5]P[5]H)(CC[6a]H)(H)	O[5](B[5]C[6a]2C[5])(C[5]P[5]CH){1|C<4>,1|H<1>,6|C<3>}	112.0560	0.000	1	112.8990	1.421	2	112.8990	1.421	2	111.2962	8.445	83	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:3:1:	4:4:	P[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C-3:H-1:	B[5]-4:C[5]-4:	C[5](P[5]C[6a]2C[5])(O[5]B[5])(CCH)(H)	C(C[5]O[5]P[5]H)(CC[6a]H)(H)	O[5](B[5]C[6a]2C[5])(C[5]P[5]CH)	C[5](P[5]C[6a]2C[5])(O[5]B[5])(CCH)(H){7|C<3>}	C(C[5]O[5]P[5]H)(CC[6a]H)(H)	O[5](B[5]C[6a]2C[5])(C[5]P[5]CH){7|C<3>}	113.7420	0.000	1	112.8990	1.421	2	112.8990	1.421	2	111.2962	8.445	83	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:3:2:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C[6a]-3:N-2:	C[5,5]-4:C[5]-4:	C[5](C[5]C[6a]C[5]H)(O[5]C[5,5])(CC[6a]N)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(NO)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)	C[5](C[5]C[6a]C[5]H)(O[5]C[5,5])(CC[6a]N)(H){2|H<1>,4|C<3>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(NO)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	108.9490	0.000	1	108.9490	0.000	1	108.9490	0.000	1	108.9490	0.000	1	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:3:3:	4:3:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C-3:C-3:	C[5]-4:N[5]-3:	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CCC)(H)	C(C[5]C[5]O[5]H)(CHH)(COO)	O[5](C[5]C[5]CH)(N[5]C[5]O)	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CCC)(H){1|O<1>,3|C<3>}	C(C[5]C[5]O[5]H)(CHH)(COO)	O[5](C[5]C[5]CH)(N[5]C[5]O){1|H<1>,2|C<3>}	109.9290	0.000	1	109.9290	0.000	1	109.9290	0.000	1	110.0285	0.020	2	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:3:3:	4:3:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C[6a]-3:C-3:	C[5]-4:N[5]-3:	C[5](C[5]C[5]CH)(O[5]N[5])(CC[6a]C)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCH)	O[5](C[5]C[5]CH)(N[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]N[5])(CC[6a]C)(H){1|C<3>,1|O<1>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCH)	O[5](C[5]C[5]CH)(N[5]C[5]O){1|C<3>,1|C<4>,1|H<1>}	110.1280	0.000	1	110.1280	0.000	1	110.1280	0.000	1	110.0285	0.020	2	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:4:1:	4:4:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5]-4:C-4:O-1:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCO)(H)	C(C[5]C[5,6]O[5]H)(CCHH)(O)	O[5](C[5]C[5,6]CH)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCO)(H){1|C<3>,3|C<4>,3|H<1>}	C(C[5]C[5,6]O[5]H)(CCHH)(O)	O[5](C[5]C[5,6]CH)2{1|C<3>,1|C<4>,2|H<1>}	109.5945	1.343	2	109.6402	3.928	4	109.6402	3.928	4	110.7233	4.683	7	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:4:1:	4:4:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5]-4:C-4:O-1:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCO)(H)	C(C[5]C[5,6]O[5]H)(CCHH)(O)	O[5](C[5]C[5,6]CH)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCO)(H){2|C<3>,2|C<4>,3|H<1>}	C(C[5]C[5,6]O[5]H)(CCHH)(O)	O[5](C[5]C[5,6]CH)2{1|C<3>,1|C<4>,2|H<1>}	111.9190	0.000	1	109.6402	3.928	4	109.6402	3.928	4	110.7233	4.683	7	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:4:1:	4:4:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5]-4:C-4:O-1:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCO)(H)	C(C[5]C[5,6]O[5]H)(CCHH)(O)	O[5](C[5]C[5,6]CH)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCO)(H){3|H<1>,4|C<4>}	C(C[5]C[5,6]O[5]H)(CCHH)(O)	O[5](C[5]C[5,6]CH)2{2|C<4>,2|H<1>}	107.4530	0.000	1	109.6402	3.928	4	109.6402	3.928	4	110.7233	4.683	7	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:4:1:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C-4:O-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCO)(H)	C(C[5]C[5]O[5]H)(CCHH)(O)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CCO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CCHH)(O)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	112.1673	1.638	3	112.1673	2.682	3	112.1673	2.682	3	110.7233	4.683	7	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:4:3:	4:4:	C[5,5]-4:O[5]-2:C-3:H-1:	C[5]-4:C-4:C-3:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(CCC)(H)	C(C[5]C[5,5]O[5]H)(CC[6]HH)(CHH)	O[5](C[5]C[5,5]CH)(C[5]O[5]CC)	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(CCC)(H){1|O<2>,2|H<1>,5|C<4>}	C(C[5]C[5,5]O[5]H)(CC[6]HH)(CHH)	O[5](C[5]C[5,5]CH)(C[5]O[5]CC){2|C<4>}	111.7000	0.379	2	111.7000	0.144	2	111.7000	0.144	2	111.2400	1.242	6	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:4:3:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C-4:C-3:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCC)(H)	C(C[5]C[5]O[5]H)(CH3)(CHH)	O[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]CH)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCC)(H){1|Cr<9>,2|C<4>}	C(C[5]C[5]O[5]H)(CH3)(CHH)	O[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]CH){2|C<4>,3|H<1>}	110.9250	0.000	1	110.9250	0.000	1	110.9250	0.000	1	111.2400	1.242	6	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:4:3:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C-4:C-3:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CCC)(H)	C(C[5]C[5]O[5]H)(CH3)(CCH)	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]CH)(O[5]C[5])(CCC)(H){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]H)(CH3)(CCH)	O[5](C[5]C[5]CH)2{1|C<4>,3|H<1>}	109.3900	0.000	1	109.3900	0.000	1	111.0383	2.711	3	111.2400	1.242	6	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:4:3:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C-4:C-3:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCC)(H)	C(C[5]C[5]O[5]H)(CF3)(CCC)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCC)(H){1|H<1>,3|C<3>}	C(C[5]C[5]O[5]H)(CF3)(CCC)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){2|H<1>,4|C<3>}	112.6830	0.000	1	112.6830	0.000	1	111.0383	2.711	3	111.2400	1.242	6	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:1:	4:4:3:	4:4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C-4:C-3:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCC)(H)	C(C[5]C[5]O[5]H)(CH3)(CCH)	O[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCC)(H){2|C<4>,2|H<1>}	C(C[5]C[5]O[5]H)(CH3)(CCH)	O[5](C[5]C[5]CC)(C[5]C[5]CH){4|H<1>}	111.0420	0.000	1	111.0420	0.000	1	111.0383	2.711	3	111.2400	1.242	6	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:2:	4:2:1:	4:3:	C[5]-4:O[5]-2:C-3:O-2:	C[5]-4:O-2:O-1:	C[5]-4:N[5]-3:	C[5](C[5]C[5]HH)(O[5]N[5])(COO)(OH)	C(C[5]C[5]O[5]O)(OC)(O)	O[5](C[5]C[5]CO)(N[5]C[5]H)	C[5](C[5]C[5]HH)(O[5]N[5])(COO)(OH){1|C<3>,2|H<1>}	C(C[5]C[5]O[5]O)(OC)(O)	O[5](C[5]C[5]CO)(N[5]C[5]H){1|C<3>,3|H<1>}	102.5180	0.000	1	102.5180	0.000	1	102.5180	0.000	1	102.5180	0.000	1	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:2:	4:2:1:	4:4:	C[5]-4:O[5]-2:C-3:N-2:	C[5]-4:N-2:O-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CNO)(NN)	C(C[5]C[5]O[5]N)(NC)(O)	O[5](C[5]C[5]CH)(C[5]C[5]CN)	C[5](C[5]C[5]HO)(O[5]C[5])(CNO)(NN){1|C<4>,1|O<1>,2|H<1>}	C(C[5]C[5]O[5]N)(NC)(O)	O[5](C[5]C[5]CH)(C[5]C[5]CN){2|H<1>,2|O<1>}	108.6930	0.635	2	108.6930	0.403	2	108.6930	0.403	2	108.6930	0.403	2	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:2:	4:3:1:	4:4:	C[5,6]-4:O[5]-2:C-3:O-2:	C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5a,6]C[5,6]H)(O[5]C[5,6])(CCH)(OH)	C(C[5]C[5,6]O[5]O)(CC[5a]H)(H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)	C[5](C[5,6]C[5a,6]C[5,6]H)(O[5]C[5,6])(CCH)(OH){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C(C[5]C[5,6]O[5]O)(CC[5a]H)(H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	109.2090	0.000	1	109.2090	0.000	1	109.2090	0.000	1	110.3575	2.638	2	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:2:	4:3:1:	4:4:	C[5]-4:O[5]-2:C-3:N-2:	C[5]-4:N-3:O-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CNO)(NN)	C(C[5]C[5]O[5]N)(NCH)(O)	O[5](C[5]C[5]CH)(C[5]C[5]CN)	C[5](C[5]C[5]HO)(O[5]C[5])(CNO)(NN){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]N)(NCH)(O)	O[5](C[5]C[5]CH)(C[5]C[5]CN){2|H<1>,2|O<2>}	111.5060	0.000	1	111.5060	0.000	1	111.5060	0.000	1	110.3575	2.638	2	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:2:	4:4:1:	4:4:	C[5,5]-4:O[5]-2:C-3:O-2:	C[5]-4:C-4:O-1:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]Cl)(O[5]C[5])(CCO)(OC)	C(C[5]C[5,5]O[5]O)(CHHO)(O)	O[5](C[5]C[5,5]CC)(C[5]C[5,5]CO)	C[5](C[5,5]C[5,5]C[5]Cl)(O[5]C[5])(CCO)(OC){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C(C[5]C[5,5]O[5]O)(CHHO)(O)	O[5](C[5]C[5,5]CC)(C[5]C[5,5]CO){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	107.4790	0.000	1	107.4790	0.000	1	107.4790	0.000	1	106.6950	1.229	2	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:2:	4:4:1:	4:4:	C[5]-4:O[5]-2:C-3:O-2:	C[5]-4:C-4:O-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCO)(OH)	C(C[5]C[5]O[5]O)(CCCH)(O)	O[5](C[5]C[5]CO)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCO)(OH){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]O)(CCCH)(O)	O[5](C[5]C[5]CO)(C[5]C[5]HH){1|C<4>,3|H<1>}	105.9110	0.000	1	105.9110	0.000	1	105.9110	0.000	1	106.6950	1.229	2	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:3:	4:2:1:	3:4:	C[5]-4:O[5]-2:C-3:C-3:	C[5]-4:O-2:O-1:	N[5,5]-3:C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(O[5]N[5,5])(COO)2	C(C[5]C[5]O[5]C)(OC)(O)	O[5](N[5,5]C[5,5]O[5])(C[5]C[5]CC)	C[5](C[5]C[5,5]C[6a]H)(O[5]N[5,5])(COO)2{1|C<4>,1|F<1>,1|O<2>,2|C<3>}	C(C[5]C[5]O[5]C)(OC)(O)	O[5](N[5,5]C[5,5]O[5])(C[5]C[5]CC){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	108.7455	3.715	4	108.7455	13.803	4	108.7455	13.803	4	108.7455	13.803	4	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:3:	4:2:1:	4:3:	C[5]-4:O[5]-2:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:N[5]-3:	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CCO)(COO)	C(C[5]C[5]O[5]C)(OC)(O)	O[5](C[5]C[5]CC)(N[5]C[5]O)	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CCO)(COO){1|C<4>,1|O<1>,2|C<3>}	C(C[5]C[5]O[5]C)(OC)(O)	O[5](C[5]C[5]CC)(N[5]C[5]O){1|C<3>,1|C<4>,1|H<1>}	111.6440	0.000	1	111.6440	0.000	1	111.6440	0.000	1	111.6440	0.000	1	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:3:	4:2:1:	4:4:	C[5,5]-4:O[5]-2:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(O[5]C[5])(COO)2	C(C[5]C[5,5]O[5]C)(OC)(O)	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC)	C[5](C[5,5]C[5,5]N[5]H)(O[5]C[5])(COO)2{1|H<1>,2|C<4>,3|C<3>}	C(C[5]C[5,5]O[5]C)(OC)(O)	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	108.3205	2.037	2	108.3205	4.150	2	108.9458	7.687	4	108.9944	3.077	10	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:3:	4:2:1:	4:4:	C[5,5]-4:O[5]-2:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(O[5]C[5])(COO)2	C(C[5]C[5,5]O[5]C)(OC)(O)	O[5](C[5]C[6a]N[5]H)(C[5]C[5,5]CC)	C[5](C[5,5]C[5,6a]C[5]N[5])(O[5]C[5])(COO)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C(C[5]C[5,5]O[5]C)(OC)(O)	O[5](C[5]C[6a]N[5]H)(C[5]C[5,5]CC){5|C<3>}	109.5710	4.165	2	109.5710	17.346	2	108.9458	7.687	4	108.9944	3.077	10	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:3:	4:2:1:	4:4:	C[5,6]-4:O[5]-2:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(O[5]C[5])(COO)2	C(C[5]C[5,6]O[5]C)(OC)(O)	O[5](C[5]C[5,6]CC)(C[5]C[5,6]CH)	C[5](C[5,6]C[5,6]O[6]H)(O[5]C[5])(COO)2{1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[5,6]O[5]C)(OC)(O)	O[5](C[5]C[5,6]CC)(C[5]C[5,6]CH){1|C<3>,1|O<2>,2|H<1>}	109.3720	0.218	2	109.3720	0.047	2	109.3720	0.047	2	108.9944	3.077	10	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:3:	4:2:1:	4:4:	C[5]-4:O[5]-2:C-3:C-3:	C[5]-4:O-2:O-1:	C[5,6]-4:C[5]-4:	C[5](C[5]N[5,6]CH)(O[5]C[5,6])(COO)2	C(C[5]C[5]O[5]C)(OC)(O)	O[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]CC)	C[5](C[5]N[5,6]CH)(O[5]C[5,6])(COO)2{1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]O[5]C)(OC)(O)	O[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]CC){1|C<4>,1|H<1>,3|C<3>}	109.5085	1.573	2	109.5085	2.475	2	109.5085	2.475	2	108.9944	3.077	10	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:3:	4:2:1:	4:4:	C[5]-4:O[5]-2:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(O[5]C[5])(COO)2	C(C[5]C[5]O[5]C)(OC)(O)	O[5](C[5]C[5,6]C[6a]H)(C[5]C[5]CC)	C[5](C[5]C[5,6]C[6a]H)(O[5]C[5])(COO)2{1|H<1>,5|C<3>}	C(C[5]C[5]O[5]C)(OC)(O)	O[5](C[5]C[5,6]C[6a]H)(C[5]C[5]CC){1|H<1>,5|C<3>}	108.2000	0.168	2	108.2000	0.028	2	108.2000	0.028	2	108.9944	3.077	10	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:3:	4:3:1:	4:4:	C[5,6]-4:O[5]-2:C-3:C-3:	C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCH)2	C(C[5]C[5,6]O[5]C)(CHH)(H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCH)2{3|C<4>,4|H<1>}	C(C[5]C[5,6]O[5]C)(CHH)(H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC){1|C<3>,2|C<4>,4|H<1>}	110.3710	0.423	2	110.3710	0.179	2	110.3710	0.179	2	110.8213	5.927	8	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:3:	4:3:1:	4:4:	C[5,6]-4:O[5]-2:C-3:C-3:	C[5]-4:C[6a]-3:O-1:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(O[5]C[5])(CC[6a]O)2	C(C[5]C[5,6]O[5]C)(C[6a]C[6a]2)(O)	O[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CC)	C[5](C[5,6]C[5,6]O[6]H)(O[5]C[5])(CC[6a]O)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5,6]O[5]C)(C[6a]C[6a]2)(O)	O[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CC){2|C<3>,2|H<1>,2|O<2>}	111.2155	6.242	2	111.2155	38.958	2	111.2155	38.958	2	110.8213	5.927	8	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:3:	4:3:1:	4:4:	C[5]-4:O[5]-2:C-3:C-3:	C[5]-4:C[6a]-3:O-1:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CC[6a]O)2	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(O)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CC[6a]O)2{1|H<1>,3|C<3>}	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(O)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC){1|H<1>,3|C<3>}	110.8492	0.738	4	110.8492	0.545	4	110.8492	0.545	4	110.8213	5.927	8	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:3:	4:4:1:	4:3:	C[5]-4:O[5]-2:C-3:C-3:	C[5]-4:C-4:O-1:	C[5]-4:N[5]-3:	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CCO)(COO)	C(C[5]C[5]O[5]C)(CH3)(O)	O[5](C[5]C[5]CC)(N[5]C[5]O)	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CCO)(COO){1|C<4>,1|O<1>,2|C<3>}	C(C[5]C[5]O[5]C)(CH3)(O)	O[5](C[5]C[5]CC)(N[5]C[5]O){1|C<3>,1|C<4>,1|H<1>}	106.3070	0.000	1	106.3070	0.000	1	106.3070	0.000	1	106.3070	0.000	1	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:3:	4:4:1:	4:4:	C[5,5]-4:O[5]-2:C-3:C-3:	C[5]-4:C-4:O-1:	C[5,5]-4:C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(O[5]C[5,5])(CCO)2	C(C[5]C[5,5]O[5]C)(CH3)(O)	O[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]CC)	C[5](C[5,5]C[3x5]C[5]H)(O[5]C[5,5])(CCO)2{1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C(C[5]C[5,5]O[5]C)(CH3)(O)	O[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]CC){1|H<1>,1|O<2>,4|C<3>}	108.9270	0.400	2	108.9270	0.160	2	108.9270	0.160	2	109.4202	1.962	4	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:3:	4:4:1:	4:4:	C[5]-4:O[5]-2:C-3:C-3:	C[5]-4:C-4:O-1:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CCO)2	C(C[5]C[5]O[5]C)(CH3)(O)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CCO)2{1|H<1>,3|C<3>}	C(C[5]C[5]O[5]C)(CH3)(O)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC){1|H<1>,3|C<3>}	109.9135	2.180	2	109.9135	4.752	2	109.9135	4.752	2	109.4202	1.962	4	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:4:	3:4:1:	4:4:	C[5]-4:O[5]-2:C-3:C-4:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CN[5]O)(CHHO)	C(N[5]C[5,5,6]S[5])(C[5]C[5]O[5]C)(O)	O[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CN[5]O)(CHHO){1|C<4>,3|H<1>}	C(N[5]C[5,5,6]S[5])(C[5]C[5]O[5]C)(O)	O[5](C[5]C[5]CC)(C[5]C[5]CH){4|H<1>}	113.6330	0.000	1	113.6330	0.000	1	113.6330	0.000	1	113.6330	0.000	1	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:4:	4:3:1:	4:2:	C[5]-4:O[5]-2:C-3:C-4:	C[5]-4:N[5]-3:O-1:	C[5]-4:O[5]-2:	C[5](C[5]C[5]HH)(O[5]O[5])(CN[5]O)(CCHH)	C(C[5]C[5]O[5]C)(N[5]C[5]2)(O)	O[5](C[5]C[5]CC)(O[5]C[5])	C[5](C[5]C[5]HH)(O[5]O[5])(CN[5]O)(CCHH){1|C<3>,1|C<4>}	C(C[5]C[5]O[5]C)(N[5]C[5]2)(O)	O[5](C[5]C[5]CC)(O[5]C[5]){1|C<3>,1|C<4>,2|H<1>}	107.5810	0.000	1	107.5810	0.000	1	107.5810	0.000	1	107.5810	0.000	1	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:3:	4:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-3:	C[5]-4:H-1:O-1:	C[5]-4:N[5]-3:	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CCHH)(CHO)	C(C[5]C[5]O[5]C)(H)(O)	O[5](C[5]C[5]CC)(N[5]C[5]O)	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CCHH)(CHO){1|O<1>,3|C<3>}	C(C[5]C[5]O[5]C)(H)(O)	O[5](C[5]C[5]CC)(N[5]C[5]O){1|H<1>,2|C<3>}	106.0770	0.000	1	106.0770	0.000	1	106.0770	0.000	1	106.0770	0.000	1	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:3:	4:2:1:	4:4:	C[5,6]-4:O[5]-2:C-4:C-3:	C[5]-4:O-2:O-1:	C[5,6,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CH3)(COO)	C(C[5]C[5,6]O[5]C)(OC)(O)	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CC)	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>}	C(C[5]C[5,6]O[5]C)(OC)(O)	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CC){1|C<2>,2|O<2>,3|H<1>,4|C<4>}	111.8540	0.000	1	111.8540	0.000	1	111.8540	0.000	1	108.6760	2.937	8	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:3:	4:2:1:	4:4:	C[5,6]-4:O[5]-2:C-4:C-3:	C[5]-4:O-2:O-1:	C[5,6]-4:C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(CH3)(COO)	C(C[5]C[5,6]O[5]C)(OC)(O)	O[5](C[5,6]C[6,6a]O[5,6]O)(C[5]C[5,6]CC)	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>}	C(C[5]C[5,6]O[5]C)(OC)(O)	O[5](C[5,6]C[6,6a]O[5,6]O)(C[5]C[5,6]CC){1|H<1>,3|C<3>}	108.5010	0.000	1	108.5010	0.000	1	108.5010	0.000	1	108.6760	2.937	8	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:3:	4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:C-3:	C[5]-4:N-2:O-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(CNO)	C(C[5]C[5]O[5]C)(NH)(O)	O[5](C[5]C[5]CC)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(CNO){2|C<4>}	C(C[5]C[5]O[5]C)(NH)(O)	O[5](C[5]C[5]CC)(C[5]O[5]CC){1|C<4>,1|H<1>}	110.6650	0.000	1	110.6650	0.000	1	110.6650	0.000	1	108.6760	2.937	8	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:3:	4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:C-3:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)(COO)	C(C[5]C[5]O[5]C)(OH)(O)	O[5](C[5]C[5]CC)2	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)(COO){2|C<4>,2|H<1>}	C(C[5]C[5]O[5]C)(OH)(O)	O[5](C[5]C[5]CC)2{1|C<4>,3|H<1>}	106.9730	0.000	1	106.9730	0.000	1	107.6947	0.494	4	108.6760	2.937	8	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:3:	4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:C-3:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(COO)	C(C[5]C[5]O[5]C)(OC)(O)	O[5](C[5]C[5]CC)(C[5]C[5]HO)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(COO){1|O<1>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]C)(OC)(O)	O[5](C[5]C[5]CC)(C[5]C[5]HO){1|O<1>,1|O<2>,2|H<1>}	108.5580	0.000	1	108.5580	0.000	1	107.6947	0.494	4	108.6760	2.937	8	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:3:	4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:C-3:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CH3)(COO)	C(C[5]C[5]O[5]C)(OC)(O)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CH3)(COO){1|H<1>,3|C<3>}	C(C[5]C[5]O[5]C)(OC)(O)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC){1|H<1>,3|C<3>}	107.3040	0.000	1	107.3040	0.000	1	107.6947	0.494	4	108.6760	2.937	8	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:3:	4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:C-3:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CC)(O[5]C[5])(CH3)(COO)	C(C[5]C[5]O[5]C)(OC)(O)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]C[5])(CH3)(COO){1|C<3>,1|H<1>}	C(C[5]C[5]O[5]C)(OC)(O)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC){2|C<2>,2|C<3>}	107.9440	0.000	1	107.9440	0.000	1	107.6947	0.494	4	108.6760	2.937	8	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:3:	4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:C-3:	C[5]-4:O-2:O-1:	C[5]-4:S[5]-4:	C[5](C[5]N[5]HH)(O[5]S[5])(CH3)(COO)	C(C[5]C[5]O[5]C)(OC)(O)	O[5](C[5]C[5]CC)(S[5]N[5]OO)	C[5](C[5]N[5]HH)(O[5]S[5])(CH3)(COO){1|C<3>,2|O<1>}	C(C[5]C[5]O[5]C)(OC)(O)	O[5](C[5]C[5]CC)(S[5]N[5]OO){1|C<3>,2|H<1>}	107.6090	0.000	1	107.6090	0.000	1	107.6090	0.000	1	108.6760	2.937	8	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:3:	4:3:1:	3:4:	C[5,5]-4:O[5]-2:C-4:C-3:	C[5]-4:C-3:O-1:	N[5]-3:C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(O[5]N[5])(CH3)(CCO)	C(C[5]C[5,5]O[5]C)(COO)(O)	O[5](N[5]C[5,5]C[6a])(C[5]C[5,5]CC)	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>}	C(C[5]C[5,5]O[5]C)(COO)(O)	O[5](N[5]C[5,5]C[6a])(C[5]C[5,5]CC){1|C<4>,2|H<1>,3|C<3>}	105.6920	0.000	1	105.6920	0.000	1	105.6920	0.000	1	105.6920	0.000	1	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:3:	4:3:1:	4:2:	C[5]-4:O[5]-2:C-4:C-3:	C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:	C[5](C[5]C[5]HH)(O[5]O[5])(CCHH)(CCH)	C(C[5]C[5]O[5]C)(CHH)(H)	O[5](C[5]C[5]CC)(O[5]C[5])	C[5](C[5]C[5]HH)(O[5]O[5])(CCHH)(CCH){1|C<3>,1|C<4>}	C(C[5]C[5]O[5]C)(CHH)(H)	O[5](C[5]C[5]CC)(O[5]C[5]){1|C<3>,1|C<4>,2|H<1>}	111.4340	0.000	1	111.4340	0.000	1	111.4340	0.000	1	111.4340	0.000	1	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:3:	4:3:1:	4:4:	C[5,6]-4:O[5]-2:C-4:C-3:	C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCHH)(CCH)	C(C[5]C[5,6]O[5]C)(CHH)(H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCHH)(CCH){3|C<4>,4|H<1>}	C(C[5]C[5,6]O[5]C)(CHH)(H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC){1|C<3>,2|C<4>,4|H<1>}	111.0760	0.000	1	111.0760	0.000	1	110.8935	0.067	2	109.5670	9.349	8	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:3:	4:3:1:	4:4:	C[5,6]-4:O[5]-2:C-4:C-3:	C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5a,6]C[5,6]H)(O[5]C[5,6])(CCHO)(CCH)	C(C[5]C[5,6]O[5]C)(CC[5a]H)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CC)	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>}	C(C[5]C[5,6]O[5]C)(CC[5a]H)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CC){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	110.7110	0.000	1	110.7110	0.000	1	110.8935	0.067	2	109.5670	9.349	8	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:3:	4:3:1:	4:4:	C[5,6]-4:O[5]-2:C-4:C-3:	C[5]-4:C-3:H-1:	Si[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]Cr)(O[5]Si[5])(CCHH)(CCH)	C(C[5]C[5,6]O[5]C)(CC[6a]H)(H)	O[5](Si[5]C[5,6]CC)(C[5]C[5,6]CC)	C[5](C[5,6]C[5,6]C[6]Cr)(O[5]Si[5])(CCHH)(CCH){1|H<1>,4|C<4>}	C(C[5]C[5,6]O[5]C)(CC[6a]H)(H)	O[5](Si[5]C[5,6]CC)(C[5]C[5,6]CC){1|Cr<9>,2|C<4>}	109.9480	0.000	1	109.9480	0.000	1	109.9480	0.000	1	109.5670	9.349	8	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:3:	4:3:1:	4:4:	C[5]-4:O[5]-2:C-4:C-3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CC)(O[5]C[5])(CH3)(CCH)	C(C[5]C[5]O[5]C)(CC[6a]H)(H)	O[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](C[5]C[5]CC)(O[5]C[5])(CH3)(CCH){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]C)(CC[6a]H)(H)	O[5](C[5]C[5]CC)(C[5]C[5]CH){2|C<3>,2|H<1>}	111.7880	0.000	1	111.7880	0.000	1	110.9947	0.549	3	109.5670	9.349	8	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:3:	4:3:1:	4:4:	C[5]-4:O[5]-2:C-4:C-3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(CCH)	C(C[5]C[5]O[5]C)(CC[6]H)(H)	O[5](C[5]C[5]CC)2	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	C(C[5]C[5]O[5]C)(CC[6]H)(H)	O[5](C[5]C[5]CC)2{4|H<1>}	110.8760	0.000	1	110.8760	0.000	1	110.9947	0.549	3	109.5670	9.349	8	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:3:	4:3:1:	4:4:	C[5]-4:O[5]-2:C-4:C-3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(CCH)	C(C[5]C[5]O[5]C)(CC[6a]H)(H)	O[5](C[5]C[5]CC)2	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	C(C[5]C[5]O[5]C)(CC[6a]H)(H)	O[5](C[5]C[5]CC)2{4|H<1>}	110.3200	0.000	1	110.3200	0.000	1	110.9947	0.549	3	109.5670	9.349	8	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:3:	4:3:1:	4:4:	C[5]-4:O[5]-2:C-4:C-3:	C[5]-4:N-3:O-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(CNO)	C(C[5]C[5]O[5]C)(NCH)(O)	O[5](C[5]C[5]CC)(C[5]C[5]HH)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(CNO){1|O<2>,3|H<1>}	C(C[5]C[5]O[5]C)(NCH)(O)	O[5](C[5]C[5]CC)(C[5]C[5]HH){2|H<1>,2|O<2>}	109.6320	0.000	1	109.6320	0.000	1	109.6320	0.000	1	109.5670	9.349	8	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:3:	4:3:1:	4:4:	C[5]-4:O[5]-2:C-4:C-3:	C[5]-4:N-3:O-1:	C[5]-4:S[5]-4:	C[5](C[5]N[5]HH)(O[5]S[5])(CH3)(CNO)	C(C[5]C[5]O[5]C)(NCO)(O)	O[5](C[5]C[5]CC)(S[5]N[5]OO)	C[5](C[5]N[5]HH)(O[5]S[5])(CH3)(CNO){1|C<3>,2|O<1>}	C(C[5]C[5]O[5]C)(NCO)(O)	O[5](C[5]C[5]CC)(S[5]N[5]OO){1|C<3>,2|H<1>}	102.1850	0.000	1	102.1850	0.000	1	102.1850	0.000	1	109.5670	9.349	8	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:3:	4:4:1:	4:4:	C[5,5]-4:O[5]-2:C-4:C-3:	C[5]-4:C-4:O-1:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(O[5]C[5])(CHHN)(CCO)	C(C[5]C[5,5]O[5]C)(CH3)(O)	O[5](C[5]C[5,5]CC)(C[5]C[5,5]CO)	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>}	C(C[5]C[5,5]O[5]C)(CH3)(O)	O[5](C[5]C[5,5]CC)(C[5]C[5,5]CO){1|C<3>,1|N<3>,2|H<1>}	106.7360	0.000	1	106.7360	0.000	1	106.7360	0.000	1	106.7360	0.000	1	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:3:	4:4:1:	5:4:	C[5]-4:O[5]-2:C-4:C-3:	C[5]-4:C-4:O-1:	P[5]-5:C[5]-4:	C[5](C[5]C[6a]O[5]H)(O[5]P[5])(CH3)(CCO)	C(C[5]C[5]O[5]C)(CH3)(O)	O[5](P[5]O[5]O3)(C[5]C[5]CC)	C[5](C[5]C[6a]O[5]H)(O[5]P[5])(CH3)(CCO){2|C<3>,3|O<2>}	C(C[5]C[5]O[5]C)(CH3)(O)	O[5](P[5]O[5]O3)(C[5]C[5]CC){1|C<3>,1|H<1>}	108.0520	0.000	1	108.0520	0.000	1	108.0520	0.000	1	108.0520	0.000	1	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:3:2:3:	4:2:1:	4:4:	C[4,5]-4:C[6a]-3:O[5]-2:C-3:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-4:	C[5](C[4,5]C[4]2C[5])(C[6a]C[6a]2)(O[5]C[5])(COO)	C(C[5]C[4,5]C[6a]O[5])(OC)(O)	O[5](C[5]C[4,5]C[6a]C)(C[5]C[6a]C[5]C)	C[5](C[4,5]C[4]2C[5])(C[6a]C[6a]2)(O[5]C[5])(COO){1|N<3>,1|O<1>,4|C<3>,6|H<1>}	C(C[5]C[4,5]C[6a]O[5])(OC)(O)	O[5](C[5]C[4,5]C[6a]C)(C[5]C[6a]C[5]C){1|C<4>,2|H<1>,5|C<3>}	106.8665	0.117	2	106.8665	0.014	2	106.8665	0.014	2	107.8102	2.731	12	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:3:2:3:	4:2:1:	4:4:	C[5,5]-4:N[6a]-3:O[5]-2:C-3:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[5])(COO)	C(C[5]C[5,5]N[6a]O[5])(OC)(O)	O[5](C[5]C[5,5]N[6a]C)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[5])(COO){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C(C[5]C[5,5]N[6a]O[5])(OC)(O)	O[5](C[5]C[5,5]N[6a]C)(C[5]C[5,5]HH){2|C<3>,2|H<1>,2|O<2>}	106.0405	0.312	2	106.0405	0.097	2	106.0405	0.097	2	107.8102	2.731	12	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:3:2:3:	4:2:1:	4:4:	C[5,6]-4:C[6a]-3:O[5]-2:C-3:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])(COO)	C(C[5]C[5,6]C[6a]O[5])(OC)(O)	O[5](C[5]C[5,6]C[6a]C)(C[5]C[5,6]C[6a]H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])(COO){3|H<1>,7|C<3>}	C(C[5]C[5,6]C[6a]O[5])(OC)(O)	O[5](C[5]C[5,6]C[6a]C)(C[5]C[5,6]C[6a]H){1|H<1>,7|C<3>}	107.1000	0.000	1	107.1000	0.000	1	107.1000	0.000	1	107.8102	2.731	12	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:3:2:3:	4:2:1:	4:4:	C[5]-4:C[6a]-3:O[5]-2:C-3:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-4:	C[5](C[5]C[4,5]HH)(C[6a]C[6a]2)(O[5]C[5])(COO)	C(C[5]C[6a]C[5]O[5])(OC)(O)	O[5](C[5]C[4,5]C[6a]C)(C[5]C[6a]C[5]C)	C[5](C[5]C[4,5]HH)(C[6a]C[6a]2)(O[5]C[5])(COO){1|C<4>,2|H<1>,5|C<3>}	C(C[5]C[6a]C[5]O[5])(OC)(O)	O[5](C[5]C[4,5]C[6a]C)(C[5]C[6a]C[5]C){1|C<4>,2|H<1>,5|C<3>}	108.1990	2.834	2	108.1990	8.032	2	108.6869	2.667	7	107.8102	2.731	12	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:3:2:3:	4:2:1:	4:4:	C[5]-4:C[6a]-3:O[5]-2:C-3:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(COO)	C(C[5]C[6a]C[5]O[5])(OC)(O)	O[5](C[5]C[6a]C[5]C)(C[5]C[5]CH)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(COO){1|N<3>,4|H<1>,5|C<3>}	C(C[5]C[6a]C[5]O[5])(OC)(O)	O[5](C[5]C[6a]C[5]C)(C[5]C[5]CH){1|N<3>,2|H<1>,3|C<3>}	107.6340	0.000	1	107.6340	0.000	1	108.6869	2.667	7	107.8102	2.731	12	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:3:2:3:	4:2:1:	4:4:	C[5]-4:C[6a]-3:O[5]-2:C-3:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(COO)	C(C[5]C[6a]C[5]O[5])(OC)(O)	O[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5]H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(COO){4|H<1>,6|C<3>}	C(C[5]C[6a]C[5]O[5])(OC)(O)	O[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5]H){2|H<1>,6|C<3>}	110.1380	0.000	1	110.1685	0.002	2	108.6869	2.667	7	107.8102	2.731	12	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:3:2:3:	4:2:1:	4:4:	C[5]-4:C[6a]-3:O[5]-2:C-3:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(COO)	C(C[5]C[6a]C[5]O[5])(OC)(O)	O[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5]H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(COO){5|C<3>,5|H<1>}	C(C[5]C[6a]C[5]O[5])(OC)(O)	O[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5]H){3|H<1>,5|C<3>}	110.1990	0.000	1	110.1685	0.002	2	108.6869	2.667	7	107.8102	2.731	12	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:3:2:3:	4:2:1:	4:4:	C[5]-4:C[6a]-3:O[5]-2:C-3:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5])(COO)	C(C[5]C[6a]C[5]O[5])(OC)(O)	O[5](C[5]C[6a]C[5]C)(C[5]C[6a]O[5]H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5])(COO){3|H<1>,5|C<3>}	C(C[5]C[6a]C[5]O[5])(OC)(O)	O[5](C[5]C[6a]C[5]C)(C[5]C[6a]O[5]H){1|H<1>,5|C<3>}	108.2195	1.248	2	108.2195	1.558	2	108.6869	2.667	7	107.8102	2.731	12	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:4:2:3:	4:2:1:	4:4:	C[3,5]-4:C-4:O[5]-2:C-3:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(CC[6a]HH)(O[5]C[5])(COO)	C(C[5]C[3,5]O[5]C)(OC)(O)	O[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]CC)	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>}	C(C[5]C[3,5]O[5]C)(OC)(O)	O[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]CC){1|C<4>,2|C<3>,2|H<1>}	106.3060	0.000	1	106.3060	0.000	1	106.3060	0.000	1	108.1692	4.827	6	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:4:2:3:	4:2:1:	4:4:	C[5,5]-4:C-4:O[5]-2:C-3:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(CC[6a]HH)(O[5]C[5])(COO)	C(C[5]C[5,5]O[5]C)(OC)(O)	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC)	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>}	C(C[5]C[5,5]O[5]C)(OC)(O)	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC){2|H<1>,4|C<3>}	106.4160	0.000	1	106.4160	0.000	1	106.4160	0.000	1	108.1692	4.827	6	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:4:2:3:	4:2:1:	4:4:	C[5]-4:C-4:O[5]-2:C-3:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]C[5])(COO)	C(C[5]C[5]O[5]C)(OC)(O)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]C[5])(COO){2|C<3>,2|H<1>}	C(C[5]C[5]O[5]C)(OC)(O)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC){3|C<3>,3|H<1>}	110.5000	0.000	1	110.5000	0.000	1	109.0733	4.773	4	108.1692	4.827	6	109.8663	6.798	333	109.8706	6.480	439
474	930	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:4:2:3:	4:2:1:	4:4:	C[5]-4:C-4:O[5]-2:C-3:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]O[5]H)(CC[6a]HH)(O[5]C[5])(COO)	C(C[5]C[5]O[5]C)(OC)(O)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)	C[5](C[5]C[6a]O[5]H)(CC[6a]HH)(O[5]C[5])(COO){1|H<1>,3|C<3>}	C(C[5]C[5]O[5]C)(OC)(O)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC){1|H<1>,3|C<3>}	108.5977	2.409	3	108.5977	5.803	3	109.0733	4.773	4	108.1692	4.827	6	109.8663	6.798	333	109.8706	6.480	439
474	930	983	0:SP3_SP1_SP2	C[5,5]	C	C	4:4:3:2:	4:3:2:	4:2:	C[5,5,6]-4:Ga[5,5,6]-4:C-3:C-2:	C[5,5]-4:C-3:C-2:	C[5,5]-4:C-2:	C[5,5](C[5,5,6]Ga[5,6]2Si)(Ga[5,5,6]I[5,6]2I)(CCC)(CC)	C(C[5,5]Ga[5,5,6]C[5,5,6]C)(CGaSi)(CC)	C(C[5,5]Ga[5,5,6]C[5,5,6]C)(CSi)	C[5,5](C[5,5,6]Ga[5,6]2Si)(Ga[5,5,6]I[5,6]2I)(CCC)(CC){3|I<1>}	C(C[5,5]Ga[5,5,6]C[5,5,6]C)(CGaSi)(CC)	C(C[5,5]Ga[5,5,6]C[5,5,6]C)(CSi)	110.1980	0.000	2	110.1980	0.000	2	110.1980	0.000	2	110.1980	0.000	2	110.1980	0.000	2	109.4691	5.029	63
474	930	983	0:SP3_SP1_SP2	C[5]	C	C	3:3:3:2:	4:3:1:	4:1:	C[5]-3:C[5]-3:C-3:C-2:	C[5]-4:N-3:O-1:	C[5]-4:N-1:	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]O)(CNO)(CN)	C(C[5]C[5]2C)(NC[6a]H)(O)	C(C[5]C[5]2C)(N)	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]O)(CNO)(CN){2|C<3>}	C(C[5]C[5]2C)(NC[6a]H)(O)	C(C[5]C[5]2C)(N)	108.9550	0.000	1	108.9550	0.000	1	108.9550	0.000	1	108.9550	0.000	1	109.4452	5.178	61	109.4691	5.029	63
474	930	983	0:SP3_SP1_SP2	C[5]	C	C	3:3:3:2:	4:3:1:	4:2:	C[5,6a]-3:N[5]-3:C-3:C-2:	C[5]-4:N-3:O-1:	C[5]-4:C-2:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CNO)(CC)	C(C[5]C[5,6a]N[5]C)(NCH)(O)	C(C[5]C[5,6a]N[5]C)(CC[6a])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CNO)(CC){1|H<1>,2|C<3>,2|O<1>}	C(C[5]C[5,6a]N[5]C)(NCH)(O)	C(C[5]C[5,6a]N[5]C)(CC[6a])	108.1060	0.000	1	108.1060	0.000	1	108.1060	0.000	1	108.1060	0.000	1	109.4452	5.178	61	109.4691	5.029	63
474	930	983	0:SP3_SP1_SP2	C[5]	C	C	3:3:3:2:	4:3:2:	4:2:	C[5,6a]-3:C[5,6a]-3:C-3:C-2:	C[5]-4:C-3:C-2:	C[5]-4:C-2:	C[5](C[5,6a]C[5,6a]C[6a])2(CCC)(CC)	C(C[5]C[5,6a]2C)(CC[6a]O)(CC[5])	C(C[5]C[5,6a]2C)(CC)	C[5](C[5,6a]C[5,6a]C[6a])2(CCC)(CC){2|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)(CC[6a]O)(CC[5])	C(C[5]C[5,6a]2C)(CC)	110.0375	0.172	2	110.0375	0.030	2	110.0375	0.030	2	109.9047	0.068	3	109.4452	5.178	61	109.4691	5.029	63
474	930	983	0:SP3_SP1_SP2	C[5]	C	C	3:3:3:2:	4:3:2:	4:2:	C[5,6a]-3:C[5,6a]-3:C-3:C-2:	C[5]-4:C[6a]-3:C-2:	C[5]-4:C-2:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]C)(CC)	C(C[5]C[5,6a]2C)(C[6a]C[6a]2)(CC[5])	C(C[5]C[5,6a]2C)(CC[6a])	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]C)(CC){2|H<1>,4|C<3>}	C(C[5]C[5,6a]2C)(C[6a]C[6a]2)(CC[5])	C(C[5]C[5,6a]2C)(CC[6a])	109.6390	0.000	1	109.6390	0.000	1	109.6390	0.000	1	109.9047	0.068	3	109.4452	5.178	61	109.4691	5.029	63
474	930	983	0:SP3_SP1_SP2	C[5]	C	C	3:4:3:2:	4:2:1:	4:1:	C[5,6a]-3:C[5]-4:C-3:C-2:	C[5]-4:O-2:O-1:	C[5]-4:N-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(COO)(CN)	C(C[5]C[5,6a]C[5]C)(OC)(O)	C(C[5]C[5,6a]C[5]C)(N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(COO)(CN){1|O<1>,2|C<3>,2|N<3>}	C(C[5]C[5,6a]C[5]C)(OC)(O)	C(C[5]C[5,6a]C[5]C)(N)	111.4380	0.000	1	111.4380	0.000	1	111.4380	0.000	1	109.3970	4.892	4	109.4452	5.178	61	109.4691	5.029	63
474	930	983	0:SP3_SP1_SP2	C[5]	C	C	3:4:3:2:	4:2:1:	4:1:	C[5]-3:C[5]-4:C-3:C-2:	C[5]-4:N-2:Cl-1:	C[5]-4:N-1:	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(CClN)(CN)	C(C[5]C[5]2C)(NC)(Cl)	C(C[5]C[5]2C)(N)	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(CClN)(CN){1|H<1>,3|C<3>}	C(C[5]C[5]2C)(NC)(Cl)	C(C[5]C[5]2C)(N)	107.4855	0.163	2	107.4855	0.027	2	107.4855	0.027	2	109.3970	4.892	4	109.4452	5.178	61	109.4691	5.029	63
474	930	983	0:SP3_SP1_SP2	C[5]	C	C	3:4:3:2:	4:2:1:	4:1:	C[5]-3:C[5]-4:C-3:C-2:	C[5]-4:O-2:O-1:	C[5]-4:N-1:	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(COO)(CN)	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(N)	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(COO)(CN){1|H<1>,3|C<3>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(N)	111.1790	0.000	1	111.1790	0.000	1	111.1790	0.000	1	109.3970	4.892	4	109.4452	5.178	61	109.4691	5.029	63
474	930	983	0:SP3_SP1_SP2	C[5]	C	C	3:4:3:2:	4:3:1:	4:1:	C[5]-3:C[5]-4:C-3:C-2:	C[5]-4:N-3:O-1:	C[5]-4:N-1:	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(CNO)(CN)	C(C[5]C[5]2C)(NHH)(O)	C(C[5]C[5]2C)(N)	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(CNO)(CN){4|C<3>}	C(C[5]C[5]2C)(NHH)(O)	C(C[5]C[5]2C)(N)	107.6870	0.003	2	107.6870	0.000	2	107.6870	0.000	2	107.6870	0.000	2	109.4452	5.178	61	109.4691	5.029	63
474	930	983	0:SP3_SP1_SP2	C[5]	C	C	4:2:3:2:	4:2:2:	4:1:	C[5]-4:O[5]-2:C-3:C-2:	C[5]-4:N-2:O-2:	C[5]-4:N-1:	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CNO)(CN)	C(C[5]C[5]O[5]C)(NH)(OC)	C(C[5]C[5]O[5]C)(N)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CNO)(CN){4|C<3>}	C(C[5]C[5]O[5]C)(NH)(OC)	C(C[5]C[5]O[5]C)(N)	109.4420	0.000	1	109.4420	0.000	1	109.4420	0.000	1	109.4420	0.000	1	109.4452	5.178	61	109.4691	5.029	63
474	930	983	0:SP3_SP1_SP2	C[5]	C	C	4:2:3:2:	4:3:1:	4:1:	C[5]-4:O[5]-2:C-3:C-2:	C[5]-4:N-3:O-1:	C[5]-4:N-1:	C[5](C[5]C[5,6]C[6a]H)(O[5]C[5,6])(CNO)(CN)	C(C[5]C[5]O[5]C)(NHH)(O)	C(C[5]C[5]O[5]C)(N)	C[5](C[5]C[5,6]C[6a]H)(O[5]C[5,6])(CNO)(CN){1|C<4>,3|C<3>}	C(C[5]C[5]O[5]C)(NHH)(O)	C(C[5]C[5]O[5]C)(N)	109.6810	0.000	1	109.6810	0.000	1	109.6810	0.000	1	109.6810	0.000	1	109.4452	5.178	61	109.4691	5.029	63
474	930	983	0:SP3_SP1_SP2	C[5]	C	C	4:3:3:2:	4:2:1:	4:1:	C[5,5]-4:C[5]-3:C-3:C-2:	C[5]-4:O-2:O-1:	C[5]-4:N-1:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(COO)(CN)	C(C[5]C[5,5]C[5]C)(OC)(O)	C(C[5]C[5,5]C[5]C)(N)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(COO)(CN){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C(C[5]C[5,5]C[5]C)(OC)(O)	C(C[5]C[5,5]C[5]C)(N)	104.7380	0.000	1	104.7380	0.000	1	104.7380	0.000	1	108.8474	7.425	9	109.4452	5.178	61	109.4691	5.029	63
474	930	983	0:SP3_SP1_SP2	C[5]	C	C	4:3:3:2:	4:2:1:	4:1:	C[5]-4:C[5]-3:C-3:C-2:	C[5]-4:O-2:O-1:	C[5]-4:N-1:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]C)(COO)(CN)	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(N)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]C)(COO)(CN){2|C<3>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(N)	111.1050	0.000	1	111.1050	0.000	1	110.3020	5.658	5	108.8474	7.425	9	109.4452	5.178	61	109.4691	5.029	63
474	930	983	0:SP3_SP1_SP2	C[5]	C	C	4:3:3:2:	4:2:1:	4:1:	C[5]-4:C[5]-3:C-3:C-2:	C[5]-4:O-2:O-1:	C[5]-4:N-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(COO)(CN)	C(C[5]C[5]2C)(OC[3x6])(O)	C(C[5]C[5]2C)(N)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(COO)(CN){2|C<3>}	C(C[5]C[5]2C)(OC[3x6])(O)	C(C[5]C[5]2C)(N)	112.7530	0.000	1	112.7530	0.000	1	110.3020	5.658	5	108.8474	7.425	9	109.4452	5.178	61	109.4691	5.029	63
474	930	983	0:SP3_SP1_SP2	C[5]	C	C	4:3:3:2:	4:2:1:	4:1:	C[5]-4:C[5]-3:C-3:C-2:	C[5]-4:O-2:O-1:	C[5]-4:N-1:	C[5](C[5]C[5]HH)(C[5]C[5]C)(COO)(CN)	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(N)	C[5](C[5]C[5]HH)(C[5]C[5]C)(COO)(CN){1|C<3>,1|C<4>,1|O<2>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(N)	111.9560	0.000	1	111.9560	0.000	1	110.3020	5.658	5	108.8474	7.425	9	109.4452	5.178	61	109.4691	5.029	63
474	930	983	0:SP3_SP1_SP2	C[5]	C	C	4:3:3:2:	4:2:1:	4:1:	C[5]-4:C[5]-3:C-3:C-2:	C[5]-4:O-2:O-1:	C[5]-4:N-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(COO)(CN)	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(N)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(COO)(CN){2|H<1>,5|C<3>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(N)	108.6220	0.000	1	108.6220	0.000	1	110.3020	5.658	5	108.8474	7.425	9	109.4452	5.178	61	109.4691	5.029	63
474	930	983	0:SP3_SP1_SP2	C[5]	C	C	4:3:3:2:	4:2:1:	4:1:	C[5]-4:C[5]-3:C-3:C-2:	C[5]-4:O-2:O-1:	C[5]-4:N-1:	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5])(COO)(CN)	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(N)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5])(COO)(CN){6|C<3>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(N)	107.0740	0.000	1	107.0740	0.000	1	110.3020	5.658	5	108.8474	7.425	9	109.4452	5.178	61	109.4691	5.029	63
474	930	983	0:SP3_SP1_SP2	C[5]	C	C	4:3:3:2:	4:2:1:	4:1:	C[5]-4:N[5]-3:C-3:C-2:	C[5]-4:O-2:O-1:	C[5]-4:N-1:	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]H)(COO)(CN)	C(C[5]C[5]N[5]C)(OC)(O)	C(C[5]C[5]N[5]C)(N)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]H)(COO)(CN){1|C<4>,3|C<3>}	C(C[5]C[5]N[5]C)(OC)(O)	C(C[5]C[5]N[5]C)(N)	108.1775	2.254	2	108.1775	5.078	2	107.7930	2.983	3	108.8474	7.425	9	109.4452	5.178	61	109.4691	5.029	63
474	930	983	0:SP3_SP1_SP2	C[5]	C	C	4:3:3:2:	4:2:1:	4:1:	C[5]-4:N[5]-3:C-3:C-2:	C[5]-4:O-2:O-1:	C[5]-4:N-1:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(COO)(CN)	C(C[5]C[5]N[5]C)(OC)(O)	C(C[5]C[5]N[5]C)(N)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(COO)(CN){1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[5]N[5]C)(OC)(O)	C(C[5]C[5]N[5]C)(N)	107.0240	0.000	1	107.0240	0.000	1	107.7930	2.983	3	108.8474	7.425	9	109.4452	5.178	61	109.4691	5.029	63
474	930	983	0:SP3_SP1_SP2	C[5]	C	C	4:3:3:2:	4:3:1:	4:1:	C[5,6]-4:C[5]-3:C-3:C-2:	C[5]-4:N-3:O-1:	C[5]-4:N-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]N)(CNO)(CN)	C(C[5]C[5,6]C[5]C)(NC[6a]H)(O)	C(C[5]C[5,6]C[5]C)(N)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]N)(CNO)(CN){1|Si<4>,2|C<4>,2|H<1>}	C(C[5]C[5,6]C[5]C)(NC[6a]H)(O)	C(C[5]C[5,6]C[5]C)(N)	110.1575	0.556	2	110.1575	0.310	2	110.1575	0.310	2	109.2597	9.722	4	109.4452	5.178	61	109.4691	5.029	63
474	930	983	0:SP3_SP1_SP2	C[5]	C	C	4:3:3:2:	4:3:1:	4:1:	C[5]-4:C[5]-3:C-3:C-2:	C[5]-4:N-3:O-1:	C[5]-4:N-1:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CNO)(CN)	C(C[5]C[5]2C)(NHH)(O)	C(C[5]C[5]2C)(N)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CNO)(CN){2|C<3>}	C(C[5]C[5]2C)(NHH)(O)	C(C[5]C[5]2C)(N)	104.7820	0.000	1	104.7820	0.000	1	104.7820	0.000	1	109.2597	9.722	4	109.4452	5.178	61	109.4691	5.029	63
474	930	983	0:SP3_SP1_SP2	C[5]	C	C	4:3:3:2:	4:3:1:	4:1:	C[5]-4:C[5]-3:C-3:C-2:	C[5]-4:N-3:S-1:	C[5]-4:N-1:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]N)(CNS)(CN)	C(C[5]C[5]2C)(NCC)(S)	C(C[5]C[5]2C)(N)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]N)(CNS)(CN){1|C<4>,1|S<1>,2|C<3>}	C(C[5]C[5]2C)(NCC)(S)	C(C[5]C[5]2C)(N)	111.9420	0.000	1	111.9420	0.000	1	111.9420	0.000	1	109.2597	9.722	4	109.4452	5.178	61	109.4691	5.029	63
474	930	983	0:SP3_SP1_SP2	C[5]	C	C	4:3:3:2:	4:4:1:	4:1:	C[5]-4:C[5]-3:C-3:C-2:	C[5]-4:C[6]-4:O-1:	C[5]-4:N-1:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6]O)(CN)	C(C[5]C[5]2C)(C[6]C[6]2H)(O)	C(C[5]C[5]2C)(N)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6]O)(CN){3|H<1>}	C(C[5]C[5]2C)(C[6]C[6]2H)(O)	C(C[5]C[5]2C)(N)	111.5810	0.000	1	111.5810	0.000	1	111.5810	0.000	1	111.5810	0.000	1	109.4452	5.178	61	109.4691	5.029	63
474	930	983	0:SP3_SP1_SP2	C[5]	C	C	4:4:3:2:	3:4:1:	4:1:	C[5,5]-4:C[5]-4:C-3:C-2:	C[5a]-3:C[5]-4:O-1:	C[5]-4:N-1:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5a]C[5]H)(CC[5a]O)(CN)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5,5]C[5]C)(O)	C(C[5]C[5,5]C[5]C)(N)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5a]C[5]H)(CC[5a]O)(CN){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5,5]C[5]C)(O)	C(C[5]C[5,5]C[5]C)(N)	113.0980	0.000	1	113.0980	0.000	1	110.3187	5.973	3	111.7872	5.577	6	109.4452	5.178	61	109.4691	5.029	63
474	930	983	0:SP3_SP1_SP2	C[5]	C	C	4:4:3:2:	3:4:1:	4:1:	C[5,5]-4:C[5]-4:C-3:C-2:	C[5a]-3:C[5]-4:O-1:	C[5]-4:N-1:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[5a]O)(CN)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5,5]C[5]C)(O)	C(C[5]C[5,5]C[5]C)(N)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[5a]O)(CN){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5,5]C[5]C)(O)	C(C[5]C[5,5]C[5]C)(N)	108.9290	0.600	2	108.9290	0.360	2	110.3187	5.973	3	111.7872	5.577	6	109.4452	5.178	61	109.4691	5.029	63
474	930	983	0:SP3_SP1_SP2	C[5]	C	C	4:4:3:2:	3:4:1:	4:1:	C[5]-4:C[5]-4:C-3:C-2:	C[6a]-3:C[5]-4:O-1:	C[5]-4:N-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O)(CN)	C(C[6a]C[6a]2)(C[5]C[5]2C)(O)	C(C[5]C[5]2C)(N)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O)(CN){2|C<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(O)	C(C[5]C[5]2C)(N)	113.6800	1.386	2	113.6800	1.921	2	113.2557	1.501	3	111.7872	5.577	6	109.4452	5.178	61	109.4691	5.029	63
474	930	983	0:SP3_SP1_SP2	C[5]	C	C	4:4:3:2:	3:4:1:	4:1:	C[5]-4:C[5]-4:C-3:C-2:	C[6a]-3:C[5]-4:O-1:	C[5]-4:N-1:	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(CC[6a]O)(CN)	C(C[6a]C[6a]2)(C[5]C[5]2C)(O)	C(C[5]C[5]2C)(N)	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(CC[6a]O)(CN){2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(O)	C(C[5]C[5]2C)(N)	112.4070	0.000	1	112.4070	0.000	1	113.2557	1.501	3	111.7872	5.577	6	109.4452	5.178	61	109.4691	5.029	63
474	930	983	0:SP3_SP1_SP2	C[5]	C	C	4:4:3:2:	4:1:1:	4:2:	C[5]-4:C[5]-4:C-3:C-2:	C[5]-4:H-1:O-1:	C[5]-4:C-2:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CHO)(CC)	C(C[5]C[5]2C)(H)(O)	C(C[5]C[5]2C)(CC[6a])	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CHO)(CC){1|H<1>,3|C<3>}	C(C[5]C[5]2C)(H)(O)	C(C[5]C[5]2C)(CC[6a])	107.2290	0.000	1	107.2290	0.000	1	107.2290	0.000	1	107.2290	0.000	1	109.4452	5.178	61	109.4691	5.029	63
474	930	983	0:SP3_SP1_SP2	C[5]	C	C	4:4:3:2:	4:2:1:	4:1:	C[5,5]-4:C[5]-4:C-3:C-2:	C[5]-4:O-2:O-1:	C[5]-4:N-1:	C[5](C[5,5]C[5,5]C[6a]O[5])(C[5]C[6a]C[5]H)(COO)(CN)	C(C[5]C[5,5]C[5]C)(OC)(O)	C(C[5]C[5,5]C[5]C)(N)	C[5](C[5,5]C[5,5]C[6a]O[5])(C[5]C[6a]C[5]H)(COO)(CN){7|C<3>}	C(C[5]C[5,5]C[5]C)(OC)(O)	C(C[5]C[5,5]C[5]C)(N)	110.3490	1.513	2	110.3490	2.290	2	108.9584	2.261	5	109.5052	3.011	17	109.4452	5.178	61	109.4691	5.029	63
474	930	983	0:SP3_SP1_SP2	C[5]	C	C	4:4:3:2:	4:2:1:	4:1:	C[5,5]-4:C[5]-4:C-3:C-2:	C[5]-4:O-2:O-1:	C[5]-4:N-1:	C[5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]C[6a]H)(COO)(CN)	C(C[5]C[5,5]C[5]C)(OC)(O)	C(C[5]C[5,5]C[5]C)(N)	C[5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]C[6a]H)(COO)(CN){1|H<1>,1|N<2>,2|C<4>,5|C<3>}	C(C[5]C[5,5]C[5]C)(OC)(O)	C(C[5]C[5,5]C[5]C)(N)	108.1150	0.000	1	108.1150	0.000	1	108.9584	2.261	5	109.5052	3.011	17	109.4452	5.178	61	109.4691	5.029	63
474	930	983	0:SP3_SP1_SP2	C[5]	C	C	4:4:3:2:	4:2:1:	4:1:	C[5,5]-4:C[5]-4:C-3:C-2:	C[5]-4:O-2:O-1:	C[5]-4:N-1:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(COO)(CN)	C(C[5]C[5,5]C[5]C)(OC)(O)	C(C[5]C[5,5]C[5]C)(N)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(COO)(CN){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C(C[5]C[5,5]C[5]C)(OC)(O)	C(C[5]C[5,5]C[5]C)(N)	108.3750	0.000	1	108.3750	0.000	1	108.9584	2.261	5	109.5052	3.011	17	109.4452	5.178	61	109.4691	5.029	63
474	930	983	0:SP3_SP1_SP2	C[5]	C	C	4:4:3:2:	4:2:1:	4:1:	C[5,5]-4:C[5]-4:C-3:C-2:	C[5]-4:O-2:O-1:	C[5]-4:N-1:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(COO)(CN)	C(C[5]C[5,5]C[5]C)(OC)(O)	C(C[5]C[5,5]C[5]C)(N)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(COO)(CN){1|H<1>,1|O<1>,2|C<4>,5|C<3>}	C(C[5]C[5,5]C[5]C)(OC)(O)	C(C[5]C[5,5]C[5]C)(N)	107.6040	0.000	1	107.6040	0.000	1	108.9584	2.261	5	109.5052	3.011	17	109.4452	5.178	61	109.4691	5.029	63
474	930	983	0:SP3_SP1_SP2	C[5]	C	C	4:4:3:2:	4:2:1:	4:1:	C[5]-4:C[5]-4:C-3:C-2:	C[5]-4:O-2:O-1:	C[5]-4:N-1:	C[5](C[5]C[3x5]C[6a]H)(C[5]C[5]HH)(COO)(CN)	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(N)	C[5](C[5]C[3x5]C[6a]H)(C[5]C[5]HH)(COO)(CN){1|H<1>,2|C<4>,3|C<3>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(N)	110.3140	0.000	1	110.3140	0.000	1	109.7330	3.365	12	109.5052	3.011	17	109.4452	5.178	61	109.4691	5.029	63
474	930	983	0:SP3_SP1_SP2	C[5]	C	C	4:4:3:2:	4:2:1:	4:1:	C[5]-4:C[5]-4:C-3:C-2:	C[5]-4:O-2:O-1:	C[5]-4:N-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)(CN)	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(N)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)(CN){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(N)	106.5170	0.000	1	106.5170	0.000	1	109.7330	3.365	12	109.5052	3.011	17	109.4452	5.178	61	109.4691	5.029	63
474	930	983	0:SP3_SP1_SP2	C[5]	C	C	4:4:3:2:	4:2:1:	4:1:	C[5]-4:C[5]-4:C-3:C-2:	C[5]-4:O-2:O-1:	C[5]-4:N-1:	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]N[5]H)(COO)(CN)	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(N)	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]N[5]H)(COO)(CN){1|S<4>,2|H<1>,4|C<3>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(N)	112.0920	0.000	1	112.0920	0.000	1	109.7330	3.365	12	109.5052	3.011	17	109.4452	5.178	61	109.4691	5.029	63
474	930	983	0:SP3_SP1_SP2	C[5]	C	C	4:4:3:2:	4:2:1:	4:1:	C[5]-4:C[5]-4:C-3:C-2:	C[5]-4:O-2:O-1:	C[5]-4:N-1:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CC)(COO)(CN)	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(N)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CC)(COO)(CN){2|H<1>,3|C<3>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(N)	110.9080	0.048	2	110.9080	0.002	2	109.7330	3.365	12	109.5052	3.011	17	109.4452	5.178	61	109.4691	5.029	63
474	930	983	0:SP3_SP1_SP2	C[5]	C	C	4:4:3:2:	4:2:1:	4:1:	C[5]-4:C[5]-4:C-3:C-2:	C[5]-4:O-2:O-1:	C[5]-4:N-1:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(COO)(CN)	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(N)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(COO)(CN){1|S<4>,2|C<3>,2|H<1>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(N)	108.5603	1.459	3	108.5603	2.129	3	109.7330	3.365	12	109.5052	3.011	17	109.4452	5.178	61	109.4691	5.029	63
474	930	983	0:SP3_SP1_SP2	C[5]	C	C	4:4:3:2:	4:2:1:	4:1:	C[5]-4:C[5]-4:C-3:C-2:	C[5]-4:O-2:O-1:	C[5]-4:N-1:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(COO)(CN)	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(N)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(COO)(CN){1|C<4>,1|O<1>,2|C<3>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(N)	111.1005	0.284	2	111.1005	0.080	2	109.7330	3.365	12	109.5052	3.011	17	109.4452	5.178	61	109.4691	5.029	63
474	930	983	0:SP3_SP1_SP2	C[5]	C	C	4:4:3:2:	4:2:1:	4:1:	C[5]-4:C[5]-4:C-3:C-2:	C[5]-4:O-2:O-1:	C[5]-4:N-1:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(CN)	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(N)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(CN){1|C<4>,1|O<1>,2|C<3>}	C(C[5]C[5]2C)(OC)(O)	C(C[5]C[5]2C)(N)	109.0875	2.230	2	109.0875	4.971	2	109.7330	3.365	12	109.5052	3.011	17	109.4452	5.178	61	109.4691	5.029	63
474	930	983	0:SP3_SP1_SP2	C[5]	C	C	4:4:3:2:	4:3:1:	4:1:	C[5]-4:C[5]-4:C-3:C-2:	C[5]-4:N-3:O-1:	C[5]-4:N-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CNO)(CN)	C(C[5]C[5]2C)(NHH)(O)	C(C[5]C[5]2C)(N)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CNO)(CN){1|C<4>,2|H<1>,3|C<3>}	C(C[5]C[5]2C)(NHH)(O)	C(C[5]C[5]2C)(N)	112.1905	0.107	2	111.3713	2.019	3	111.4770	1.391	4	111.4770	1.391	4	109.4452	5.178	61	109.4691	5.029	63
474	930	983	0:SP3_SP1_SP2	C[5]	C	C	4:4:3:2:	4:3:1:	4:1:	C[5]-4:C[5]-4:C-3:C-2:	C[5]-4:N-3:O-1:	C[5]-4:N-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CNO)(CN)	C(C[5]C[5]2C)(NHH)(O)	C(C[5]C[5]2C)(N)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CNO)(CN){1|N<3>,3|C<3>}	C(C[5]C[5]2C)(NHH)(O)	C(C[5]C[5]2C)(N)	109.7330	0.000	1	111.3713	2.019	3	111.4770	1.391	4	111.4770	1.391	4	109.4452	5.178	61	109.4691	5.029	63
474	930	983	0:SP3_SP1_SP2	C[5]	C	C	4:4:3:2:	4:3:1:	4:1:	C[5]-4:C[5]-4:C-3:C-2:	C[5]-4:N-3:O-1:	C[5]-4:N-1:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CC)(CNO)(CN)	C(C[5]C[5]2C)(NHH)(O)	C(C[5]C[5]2C)(N)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CC)(CNO)(CN){2|H<1>,3|C<3>}	C(C[5]C[5]2C)(NHH)(O)	C(C[5]C[5]2C)(N)	111.7940	0.000	1	111.7940	0.000	1	111.4770	1.391	4	111.4770	1.391	4	109.4452	5.178	61	109.4691	5.029	63
474	930	983	0:SP3_SP1_SP2	C[5]	C	C	4:4:3:2:	4:4:1:	4:1:	C[5,5]-4:C[5]-4:C-3:C-2:	C[5]-4:C-4:O-1:	C[5]-4:N-1:	C[5](C[5,5]C[5,5a]C[5,5]H)(C[5]C[5]HH)(CCO)(CN)	C(C[5]C[5,5]C[5]C)(CCHH)(O)	C(C[5]C[5,5]C[5]C)(N)	C[5](C[5,5]C[5,5a]C[5,5]H)(C[5]C[5]HH)(CCO)(CN){1|C<4>,1|N<3>,2|C<3>}	C(C[5]C[5,5]C[5]C)(CCHH)(O)	C(C[5]C[5,5]C[5]C)(N)	105.9555	0.498	4	105.9555	0.248	4	106.3956	1.154	5	107.2667	5.476	6	109.4452	5.178	61	109.4691	5.029	63
474	930	983	0:SP3_SP1_SP2	C[5]	C	C	4:4:3:2:	4:4:1:	4:1:	C[5,5]-4:C[5]-4:C-3:C-2:	C[5]-4:C-4:O-1:	C[5]-4:N-1:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(CCO)(CN)	C(C[5]C[5,5]C[5]C)(CH3)(O)	C(C[5]C[5,5]C[5]C)(N)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(CCO)(CN){1|C<2>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C(C[5]C[5,5]C[5]C)(CH3)(O)	C(C[5]C[5,5]C[5]C)(N)	108.1560	0.000	1	108.1560	0.000	1	106.3956	1.154	5	107.2667	5.476	6	109.4452	5.178	61	109.4691	5.029	63
474	930	983	0:SP3_SP1_SP2	C[5]	C	C	4:4:3:2:	4:4:1:	4:1:	C[5]-4:C[5]-4:C-3:C-2:	C[5]-4:C-4:O-1:	C[5]-4:N-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(CN)	C(C[5]C[5]2C)(CC3)(O)	C(C[5]C[5]2C)(N)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(CN){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]2C)(CC3)(O)	C(C[5]C[5]2C)(N)	111.6220	0.000	1	111.6220	0.000	1	111.6220	0.000	1	107.2667	5.476	6	109.4452	5.178	61	109.4691	5.029	63
474	930	992	0:SP3_SP2_SP3	C[5]	C	P	4:4:4:3:	4:2:1:	3:3:3:4:	C[5]-4:C[5]-4:P-4:C-3:	C[5]-4:O-2:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5]HH)2(PC[6a]3)(COO)	C(C[5]C[5]2P)(OC)(O)	P(C[6a]C[6a]2)3(C[5]C[5]2C)	C[5](C[5]C[5]HH)2(PC[6a]3)(COO){4|H<1>}	C(C[5]C[5]2P)(OC)(O)	P(C[6a]C[6a]2)3(C[5]C[5]2C)	107.9930	0.000	1	107.9930	0.000	1	107.9930	0.000	1	107.9930	0.000	1	107.9930	0.000	1	107.9930	0.000	1
474	930	999	0:SP3_SP2_SP3	C[5,5,6]	C	N[5,5]	3:4:3:3:	4:3:1:	4:4:1:1:	C[5,6,6a]-3:N[5,5]-4:C[5,6]-3:C-3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(CN[5]O)	C(C[5,5,6]C[5,6,6a]C[5,6]N[5,5])(N[5]C[5,5,6]S[5])(O)	N[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)(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(CN[5]O){2|C<3>,3|H<1>}	C(C[5,5,6]C[5,6,6a]C[5,6]N[5,5])(N[5]C[5,5,6]S[5])(O)	N[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)(H)2{2|C<3>,2|H<1>}	107.2840	0.000	1	107.2840	0.000	1	107.2840	0.000	1	107.2840	0.000	1	107.2840	0.000	1	109.8524	3.520	108
474	930	999	0:SP3_SP2_SP3	C[5]	C	N[5,5,6]	4:4:3:1:	4:1:1:	4:4:4:1:	N[5,5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:O-1:O-1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5](N[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]HH)(COO)(H)	C(C[5]N[5,5,6]C[5]H)(O)2	N[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]CH)(H)	C[5](N[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]HH)(COO)(H){1|O<2>,2|C<4>,4|H<1>}	C(C[5]N[5,5,6]C[5]H)(O)2	N[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]CH)(H){1|O<2>,6|H<1>}	110.4620	0.000	1	110.4620	0.000	1	110.4620	0.000	1	110.4620	0.000	1	110.4620	0.000	1	109.8524	3.520	108
474	930	999	0:SP3_SP2_SP3	C[5]	C	N[5,5]	4:4:3:1:	4:3:1:	4:4:4:4:	N[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:N-3:O-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-4:	C[5](N[5,5]C[5]3)(C[5]C[5]HH)(CNO)(H)	C(C[5]N[5,5]C[5]H)(NCH)(O)	N[5,5](C[5]C[5,6a]HH)2(C[5]C[5]CH)(C[5]C[5]HH)	C[5](N[5,5]C[5]3)(C[5]C[5]HH)(CNO)(H){2|C<3>,8|H<1>}	C(C[5]N[5,5]C[5]H)(NCH)(O)	N[5,5](C[5]C[5,6a]HH)2(C[5]C[5]CH)(C[5]C[5]HH){2|C<3>,4|H<1>}	113.0560	0.000	1	113.0560	0.000	1	113.0560	0.000	1	113.0560	0.000	1	113.0560	0.000	1	109.8524	3.520	108
474	930	999	0:SP3_SP2_SP3	C[5]	C	N[5]	4:3:3:1:	4:1:1:	4:4:1:1:	N[5]-4:N[5]-3:C-3:H-1:	C[5]-4:O-1:O-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5](N[5]C[5,6]HH)(N[5]C[5,6]H)(COO)(H)	C(C[5]N[5]2H)(O)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2	C[5](N[5]C[5,6]HH)(N[5]C[5,6]H)(COO)(H){2|C<4>,2|H<1>}	C(C[5]N[5]2H)(O)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2{2|C<4>,4|H<1>}	108.9110	0.000	1	108.9110	0.000	1	108.9110	0.000	1	109.2750	0.265	2	109.8406	3.456	105	109.8524	3.520	108
474	930	999	0:SP3_SP2_SP3	C[5]	C	N[5]	4:3:3:1:	4:1:1:	4:4:1:1:	N[5]-4:N[5]-3:C-3:H-1:	C[5]-4:O-1:O-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5](N[5]C[5]HH)(N[5]C[5]H)(COO)(H)	C(C[5]N[5]2H)(O)2	N[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)(H)2	C[5](N[5]C[5]HH)(N[5]C[5]H)(COO)(H){2|C<3>,2|H<1>}	C(C[5]N[5]2H)(O)2	N[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)(H)2{2|H<1>,3|C<3>}	109.6390	0.000	1	109.6390	0.000	1	109.6390	0.000	1	109.2750	0.265	2	109.8406	3.456	105	109.8524	3.520	108
474	930	999	0:SP3_SP2_SP3	C[5]	C	N[5]	4:4:3:1:	4:1:1:	4:4:1:1:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:Cl-1:O-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CClO)(H)	C(C[5]C[5]N[5]H)(Cl)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CClO)(H){4|H<1>}	C(C[5]C[5]N[5]H)(Cl)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{4|H<1>}	107.9203	0.305	3	107.9203	0.093	3	107.9203	0.093	3	110.1596	1.673	44	109.8406	3.456	105	109.8524	3.520	108
474	930	999	0:SP3_SP2_SP3	C[5]	C	N[5]	4:4:3:1:	4:1:1:	4:4:1:1:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:O-1:O-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[5]C[5]CH)(N[5]C[5]HH)(COO)(H)	C(C[5]C[5]N[5]H)(O)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]HH)(COO)(H){1|C<3>,3|H<1>}	C(C[5]C[5]N[5]H)(O)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	107.9900	0.000	1	107.9900	0.000	1	110.3235	1.391	41	110.1596	1.673	44	109.8406	3.456	105	109.8524	3.520	108
474	930	999	0:SP3_SP2_SP3	C[5]	C	N[5]	4:4:3:1:	4:1:1:	4:4:1:1:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:O-1:O-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(COO)(H)	C(C[5]C[5]N[5]H)(O)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(COO)(H){1|F<1>,3|H<1>}	C(C[5]C[5]N[5]H)(O)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|F<1>,3|H<1>}	111.6790	0.000	1	110.3965	1.312	38	110.3235	1.391	41	110.1596	1.673	44	109.8406	3.456	105	109.8524	3.520	108
474	930	999	0:SP3_SP2_SP3	C[5]	C	N[5]	4:4:3:1:	4:1:1:	4:4:1:1:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:O-1:O-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(COO)(H)	C(C[5]C[5]N[5]H)(O)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(COO)(H){1|O<2>,3|H<1>}	C(C[5]C[5]N[5]H)(O)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|O<2>,3|H<1>}	111.6315	0.951	4	110.3965	1.312	38	110.3235	1.391	41	110.1596	1.673	44	109.8406	3.456	105	109.8524	3.520	108
474	930	999	0:SP3_SP2_SP3	C[5]	C	N[5]	4:4:3:1:	4:1:1:	4:4:1:1:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:O-1:O-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(COO)(H)	C(C[5]C[5]N[5]H)(O)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(COO)(H){4|H<1>}	C(C[5]C[5]N[5]H)(O)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{4|H<1>}	110.2080	1.074	33	110.3965	1.312	38	110.3235	1.391	41	110.1596	1.673	44	109.8406	3.456	105	109.8524	3.520	108
474	930	999	0:SP3_SP2_SP3	C[5]	C	N[5]	4:4:3:1:	4:1:1:	4:4:1:1:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:O-1:O-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[5]C[5]HO)(N[5]C[5]HH)(COO)(H)	C(C[5]C[5]N[5]H)(O)2	N[5](C[5]C[5]CH)2(H)2	C[5](C[5]C[5]HO)(N[5]C[5]HH)(COO)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]N[5]H)(O)2	N[5](C[5]C[5]CH)2(H)2{2|H<1>,2|O<2>}	110.9260	0.000	1	110.9260	0.000	1	110.3235	1.391	41	110.1596	1.673	44	109.8406	3.456	105	109.8524	3.520	108
474	930	999	0:SP3_SP2_SP3	C[5]	C	N[5]	4:4:3:1:	4:1:1:	4:4:1:1:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:O-1:O-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[5]S[5]HH)(N[5]C[5]HH)(COO)(H)	C(C[5]C[5]N[5]H)(O)2	N[5](C[5]C[5]CH)(C[5]S[5]HH)(H)2	C[5](C[5]S[5]HH)(N[5]C[5]HH)(COO)(H){2|H<1>}	C(C[5]C[5]N[5]H)(O)2	N[5](C[5]C[5]CH)(C[5]S[5]HH)(H)2{2|H<1>}	109.2790	0.000	1	109.2790	0.000	1	110.3235	1.391	41	110.1596	1.673	44	109.8406	3.456	105	109.8524	3.520	108
474	930	999	0:SP3_SP2_SP3	C[5]	C	N[5]	4:4:3:1:	4:1:1:	4:4:4:1:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:O-1:O-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]CH)(COO)(H)	C(C[5]C[5]N[5]H)(O)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(COO)(H){1|O<2>,3|H<1>}	C(C[5]C[5]N[5]H)(O)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){1|O<2>,3|H<1>}	110.6570	0.000	1	110.6570	0.000	1	110.1269	3.576	7	110.3889	3.614	8	109.8406	3.456	105	109.8524	3.520	108
474	930	999	0:SP3_SP2_SP3	C[5]	C	N[5]	4:4:3:1:	4:1:1:	4:4:4:1:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:O-1:O-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]CH)(COO)(H)	C(C[5]C[5]N[5]H)(O)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(COO)(H){4|H<1>}	C(C[5]C[5]N[5]H)(O)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)(H){4|H<1>}	108.3483	0.635	3	108.3483	0.403	3	110.1269	3.576	7	110.3889	3.614	8	109.8406	3.456	105	109.8524	3.520	108
474	930	999	0:SP3_SP2_SP3	C[5]	C	N[5]	4:4:3:1:	4:1:1:	4:4:4:1:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:O-1:O-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]CH)(COO)(H)	C(C[5]C[5]N[5]H)(O)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(COO)(H){1|O<2>,3|H<1>}	C(C[5]C[5]N[5]H)(O)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){1|O<2>,3|H<1>}	113.0550	0.000	1	112.3205	1.079	2	110.1269	3.576	7	110.3889	3.614	8	109.8406	3.456	105	109.8524	3.520	108
474	930	999	0:SP3_SP2_SP3	C[5]	C	N[5]	4:4:3:1:	4:1:1:	4:4:4:1:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:O-1:O-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]CH)(COO)(H)	C(C[5]C[5]N[5]H)(O)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(COO)(H){4|H<1>}	C(C[5]C[5]N[5]H)(O)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){4|H<1>}	111.5860	0.000	1	112.3205	1.079	2	110.1269	3.576	7	110.3889	3.614	8	109.8406	3.456	105	109.8524	3.520	108
474	930	999	0:SP3_SP2_SP3	C[5]	C	N[5]	4:4:3:1:	4:1:1:	4:4:4:1:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:O-1:O-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5](C[5]C[5]HO)(N[5]C[5]CH)(COO)(H)	C(C[5]C[5]N[5]H)(O)2	N[5](C[5]C[5]CH)2(CCHH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]CH)(COO)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]N[5]H)(O)2	N[5](C[5]C[5]CH)2(CCHH)(H){2|H<1>,2|O<2>}	110.5450	0.000	1	110.5450	0.000	1	110.1269	3.576	7	110.3889	3.614	8	109.8406	3.456	105	109.8524	3.520	108
474	930	999	0:SP3_SP2_SP3	C[5]	C	N[5]	4:4:3:1:	4:1:1:	4:4:4:1:	N[5]-4:C[5]-4:C-3:H-1:	C[5]-4:O-1:O-1:	C[6,6]-4:C[5]-4:C[5]-4:H-1:	C[5](N[5]C[6,6]C[5]H)(C[5]C[5]HH)(COO)(H)	C(C[5]C[5]N[5]H)(O)2	N[5](C[6,6]C[3x6]C[6,6]H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](N[5]C[6,6]C[5]H)(C[5]C[5]HH)(COO)(H){2|C<4>,5|H<1>}	C(C[5]C[5]N[5]H)(O)2	N[5](C[6,6]C[3x6]C[6,6]H)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,6|H<1>}	112.2230	0.000	1	112.2230	0.000	1	112.2230	0.000	1	110.3889	3.614	8	109.8406	3.456	105	109.8524	3.520	108
474	930	999	0:SP3_SP2_SP3	C[5]	C	N[5]	4:4:3:1:	4:1:1:	4:4:4:4:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:O-1:O-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5](C[5]C[5]HO)(N[5]C[5]CC)(COO)(H)	C(C[5]C[5]N[5]H)(O)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)2	C[5](C[5]C[5]HO)(N[5]C[5]CC)(COO)(H){4|H<1>}	C(C[5]C[5]N[5]H)(O)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)2{1|O<2>,3|H<1>}	116.9210	0.000	1	116.9210	0.000	1	116.9210	0.000	1	116.9210	0.000	1	109.8406	3.456	105	109.8524	3.520	108
474	930	999	0:SP3_SP2_SP3	C[5]	C	N[5]	4:4:3:1:	4:2:1:	4:4:1:1:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:O-2:O-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5](C[5]C[5,6]CH)(N[5]C[5,6]HH)(COO)(H)	C(C[5]C[5]N[5]H)(OC)(O)	N[5](C[5,6]C[6,6a]C[5,6]C[6a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6]CH)(N[5]C[5,6]HH)(COO)(H){1|H<1>,3|C<3>}	C(C[5]C[5]N[5]H)(OC)(O)	N[5](C[5,6]C[6,6a]C[5,6]C[6a])(C[5]C[5]CH)(H)2{1|C<4>,2|H<1>,5|C<3>}	111.1680	0.000	1	111.1680	0.000	1	111.1680	0.000	1	109.8332	1.630	25	109.8406	3.456	105	109.8524	3.520	108
474	930	999	0:SP3_SP2_SP3	C[5]	C	N[5]	4:4:3:1:	4:2:1:	4:4:1:1:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[5]C[5]CH)(N[5]C[5]HH)(COO)(H)	C(C[5]C[5]N[5]H)(OC)(O)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]HH)(COO)(H){2|C<3>,2|H<1>}	C(C[5]C[5]N[5]H)(OC)(O)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2{2|H<1>,4|C<3>}	110.4860	0.000	1	110.4860	0.000	1	109.7776	1.620	24	109.8332	1.630	25	109.8406	3.456	105	109.8524	3.520	108
474	930	999	0:SP3_SP2_SP3	C[5]	C	N[5]	4:4:3:1:	4:2:1:	4:4:1:1:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[5]C[5]CH)(N[5]C[5]HH)(COO)(H)	C(C[5]C[5]N[5]H)(OH)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]HH)(COO)(H){4|H<1>}	C(C[5]C[5]N[5]H)(OH)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	109.0870	0.000	1	109.0870	0.000	1	109.7776	1.620	24	109.8332	1.630	25	109.8406	3.456	105	109.8524	3.520	108
474	930	999	0:SP3_SP2_SP3	C[5]	C	N[5]	4:4:3:1:	4:2:1:	4:4:1:1:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(COO)(H)	C(C[5]C[5]N[5]H)(OC)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(COO)(H){1|C<4>,3|H<1>}	C(C[5]C[5]N[5]H)(OC)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	109.6125	0.192	2	108.6417	2.846	3	109.7776	1.620	24	109.8332	1.630	25	109.8406	3.456	105	109.8524	3.520	108
474	930	999	0:SP3_SP2_SP3	C[5]	C	N[5]	4:4:3:1:	4:2:1:	4:4:1:1:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(COO)(H)	C(C[5]C[5]N[5]H)(OC)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(COO)(H){1|O<2>,3|H<1>}	C(C[5]C[5]N[5]H)(OC)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|O<2>,3|H<1>}	106.7000	0.000	1	108.6417	2.846	3	109.7776	1.620	24	109.8332	1.630	25	109.8406	3.456	105	109.8524	3.520	108
474	930	999	0:SP3_SP2_SP3	C[5]	C	N[5]	4:4:3:1:	4:2:1:	4:4:1:1:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(COO)(H)	C(C[5]C[5]N[5]H)(OC)(O)	N[5](C[5]C[5]CH)2(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(COO)(H){1|C<4>,3|H<1>}	C(C[5]C[5]N[5]H)(OC)(O)	N[5](C[5]C[5]CH)2(H)2{4|H<1>}	109.8770	0.750	5	109.8770	0.562	5	109.7776	1.620	24	109.8332	1.630	25	109.8406	3.456	105	109.8524	3.520	108
474	930	999	0:SP3_SP2_SP3	C[5]	C	N[5]	4:4:3:1:	4:2:1:	4:4:1:1:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(COO)(H)	C(C[5]C[5]N[5]H)(OCa)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(COO)(H){4|H<1>}	C(C[5]C[5]N[5]H)(OCa)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{4|H<1>}	111.5160	0.000	1	111.5160	0.000	1	109.7776	1.620	24	109.8332	1.630	25	109.8406	3.456	105	109.8524	3.520	108
474	930	999	0:SP3_SP2_SP3	C[5]	C	N[5]	4:4:3:1:	4:2:1:	4:4:1:1:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(COO)(H)	C(C[5]C[5]N[5]H)(OH)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(COO)(H){4|H<1>}	C(C[5]C[5]N[5]H)(OH)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{4|H<1>}	109.4752	1.141	9	109.4752	1.301	9	109.7776	1.620	24	109.8332	1.630	25	109.8406	3.456	105	109.8524	3.520	108
474	930	999	0:SP3_SP2_SP3	C[5]	C	N[5]	4:4:3:1:	4:2:1:	4:4:1:1:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(COO)(H)	C(C[5]C[5]N[5]H)(OMn)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(COO)(H){4|H<1>}	C(C[5]C[5]N[5]H)(OMn)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{4|H<1>}	111.9880	0.450	2	111.9880	0.202	2	109.7776	1.620	24	109.8332	1.630	25	109.8406	3.456	105	109.8524	3.520	108
474	930	999	0:SP3_SP2_SP3	C[5]	C	N[5]	4:4:3:1:	4:2:1:	4:4:1:1:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(COO)(H)	C(C[5]C[5]N[5]H)(OZn)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(COO)(H){4|H<1>}	C(C[5]C[5]N[5]H)(OZn)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{4|H<1>}	109.6510	0.000	1	109.6510	0.000	1	109.7776	1.620	24	109.8332	1.630	25	109.8406	3.456	105	109.8524	3.520	108
474	930	999	0:SP3_SP2_SP3	C[5]	C	N[5]	4:4:3:1:	4:2:1:	4:4:1:1:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]HH)(COO)(H)	C(C[5]C[5]N[5]H)(OH)(O)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2	C[5](C[5]C[6a]C[5]H)(N[5]C[5]HH)(COO)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[5]C[5]N[5]H)(OH)(O)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	109.3590	0.000	1	109.3590	0.000	1	109.7776	1.620	24	109.8332	1.630	25	109.8406	3.456	105	109.8524	3.520	108
474	930	999	0:SP3_SP2_SP3	C[5]	C	N[5]	4:4:3:1:	4:2:1:	4:4:4:1:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]CH)(COO)(H)	C(C[5]C[5]N[5]H)(OH)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(COO)(H){4|H<1>}	C(C[5]C[5]N[5]H)(OH)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)(H){4|H<1>}	109.8530	0.742	2	109.8530	0.551	2	109.8530	0.551	2	109.8530	0.551	2	109.8406	3.456	105	109.8524	3.520	108
474	930	999	0:SP3_SP2_SP3	C[5]	C	N[5]	4:4:3:1:	4:3:1:	4:4:1:1:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCH)(H)	C(C[5]C[5]N[5]H)(CCH)(H)	N[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCH)(H){2|C<3>,2|H<1>}	C(C[5]C[5]N[5]H)(CCH)(H)	N[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{4|H<1>}	110.2420	0.000	1	110.2420	0.000	1	110.2420	0.000	1	109.1237	2.754	11	109.8406	3.456	105	109.8524	3.520	108
474	930	999	0:SP3_SP2_SP3	C[5]	C	N[5]	4:4:3:1:	4:3:1:	4:4:1:1:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:N-3:O-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CNO)(H)	C(C[5]C[5]N[5]H)(NCC)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CNO)(H){1|S<2>,3|H<1>}	C(C[5]C[5]N[5]H)(NCC)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|S<2>,3|H<1>}	106.5260	0.000	1	106.5260	0.000	1	108.8460	3.286	8	109.1237	2.754	11	109.8406	3.456	105	109.8524	3.520	108
474	930	999	0:SP3_SP2_SP3	C[5]	C	N[5]	4:4:3:1:	4:3:1:	4:4:1:1:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:N-3:O-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CNO)(H)	C(C[5]C[5]N[5]H)(NCH)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CNO)(H){4|H<1>}	C(C[5]C[5]N[5]H)(NCH)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{4|H<1>}	107.4520	0.390	3	107.4520	0.152	3	108.8460	3.286	8	109.1237	2.754	11	109.8406	3.456	105	109.8524	3.520	108
474	930	999	0:SP3_SP2_SP3	C[5]	C	N[5]	4:4:3:1:	4:3:1:	4:4:1:1:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:N-3:O-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CNO)(H)	C(C[5]C[5]N[5]H)(NHH)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CNO)(H){4|H<1>}	C(C[5]C[5]N[5]H)(NHH)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{4|H<1>}	110.4860	0.675	3	110.4860	0.456	3	108.8460	3.286	8	109.1237	2.754	11	109.8406	3.456	105	109.8524	3.520	108
474	930	999	0:SP3_SP2_SP3	C[5]	C	N[5]	4:4:3:1:	4:3:1:	4:4:1:1:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:N-3:O-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CNO)(H)	C(C[5]C[5]N[5]H)(NHS)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CNO)(H){4|H<1>}	C(C[5]C[5]N[5]H)(NHS)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{4|H<1>}	110.4280	0.000	1	110.4280	0.000	1	108.8460	3.286	8	109.1237	2.754	11	109.8406	3.456	105	109.8524	3.520	108
474	930	999	0:SP3_SP2_SP3	C[5]	C	N[5]	4:4:3:1:	4:3:1:	4:4:1:1:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:N-3:S-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CNS)(H)	C(C[5]C[5]N[5]H)(NCH)(S)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CNS)(H){4|H<1>}	C(C[5]C[5]N[5]H)(NCH)(S)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{4|H<1>}	110.6900	0.000	1	110.6900	0.000	1	110.6900	0.000	1	109.1237	2.754	11	109.8406	3.456	105	109.8524	3.520	108
474	930	999	0:SP3_SP2_SP3	C[5]	C	N[5]	4:4:3:1:	4:3:1:	4:4:1:1:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:N[6]-3:O-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CN[6]O)(H)	C(C[5]C[5]N[5]H)(N[6]C[6]2)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CN[6]O)(H){4|H<1>}	C(C[5]C[5]N[5]H)(N[6]C[6]2)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{4|H<1>}	108.6610	0.000	1	108.6610	0.000	1	108.6610	0.000	1	109.1237	2.754	11	109.8406	3.456	105	109.8524	3.520	108
474	930	999	0:SP3_SP2_SP3	C[5]	C	N[5]	4:4:3:1:	4:3:2:	4:4:4:2:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:N-3:O-2:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]CO)(CNO)(H)	C(C[5]C[5]N[5]H)(NC[6a]H)(OCo)	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CCHH)(OCo)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]CO)(CNO)(H){2|C<4>,2|H<1>}	C(C[5]C[5]N[5]H)(NC[6a]H)(OCo)	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CCHH)(OCo){2|C<4>,5|H<1>}	114.3065	0.479	2	114.3065	0.229	2	114.3065	0.229	2	114.3065	0.229	2	109.8406	3.456	105	109.8524	3.520	108
474	930	999	0:SP3_SP2_SP3	C[5]	C	N[5]	4:4:3:2:	4:1:1:	4:2:4:4:	C[5]-4:N[5]-4:C-3:O-2:	C[5]-4:O-1:O-1:	C[5]-4:N[5]-2:C-4:C-4:	C[5](C[5]C[5]CH)(N[5]N[5]CC)(COO)(OH)	C(C[5]C[5]N[5]O)(O)2	N[5](C[5]C[5]CO)(N[5]C[5])(CH3)2	C[5](C[5]C[5]CH)(N[5]N[5]CC)(COO)(OH){1|C<3>}	C(C[5]C[5]N[5]O)(O)2	N[5](C[5]C[5]CO)(N[5]C[5])(CH3)2{1|H<1>,2|C<3>}	109.7470	0.000	1	109.7470	0.000	1	109.7470	0.000	1	109.7470	0.000	1	109.8406	3.456	105	109.8524	3.520	108
474	930	999	0:SP3_SP2_SP3	C[5]	C	N[5]	4:4:3:3:	4:2:1:	4:4:1:1:	C[5]-4:N[5]-4:C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCH)(COO)	C(C[5]C[5]N[5]C)(OC)(O)	N[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCH)(COO){1|C<3>,3|H<1>}	C(C[5]C[5]N[5]C)(OC)(O)	N[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{4|H<1>}	106.7190	0.000	1	106.7190	0.000	1	106.7190	0.000	1	106.7190	0.000	1	109.8406	3.456	105	109.8524	3.520	108
474	930	999	0:SP3_SP2_SP3	C[5]	C	N[5]	4:4:3:3:	4:3:1:	4:4:1:1:	C[5]-4:N[5]-4:C-3:C-3:	C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCH)(COO)	C(C[5]C[5]N[5]C)(CHH)(H)	N[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCH)(COO){1|C<3>,3|H<1>}	C(C[5]C[5]N[5]C)(CHH)(H)	N[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{4|H<1>}	109.5450	0.000	1	109.5450	0.000	1	109.5450	0.000	1	109.5450	0.000	1	109.8406	3.456	105	109.8524	3.520	108
474	930	999	0:SP3_SP2_SP3	C[5]	C	N[5]	4:4:4:3:	4:2:1:	4:4:1:1:	C[5,5]-4:N[5]-4:C-4:C-3:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[5]HH)(CH3)(COO)	C(C[5]C[5,5]N[5]C)(OC)(O)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC)(H)2	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>}	C(C[5]C[5,5]N[5]C)(OC)(O)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC)(H)2{1|H<1>,2|N<3>,3|C<3>}	109.1020	0.000	1	109.1020	0.000	1	109.1020	0.000	1	106.6435	2.704	6	109.8406	3.456	105	109.8524	3.520	108
474	930	999	0:SP3_SP2_SP3	C[5]	C	N[5]	4:4:4:3:	4:2:1:	4:4:1:1:	C[5]-4:N[5]-4:C-4:C-3:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCHH)(COO)	C(C[5]C[5]N[5]C)(OC)(O)	N[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCHH)(COO){1|C<4>,3|H<1>}	C(C[5]C[5]N[5]C)(OC)(O)	N[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{4|H<1>}	107.4680	0.057	2	107.4680	0.003	2	106.1518	1.567	5	106.6435	2.704	6	109.8406	3.456	105	109.8524	3.520	108
474	930	999	0:SP3_SP2_SP3	C[5]	C	N[5]	4:4:4:3:	4:2:1:	4:4:1:1:	C[5]-4:N[5]-4:C-4:C-3:	C[5]-4:O-2:O-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CC[6a]HH)(COO)	C(C[5]C[5]N[5]C)(OH)(O)	N[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CC[6a]HH)(COO){4|H<1>}	C(C[5]C[5]N[5]C)(OH)(O)	N[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{4|H<1>}	105.2743	0.495	3	105.2743	0.245	3	106.1518	1.567	5	106.6435	2.704	6	109.8406	3.456	105	109.8524	3.520	108
474	930	999	0:SP3_SP2_SP3	C[5]	C	N[5]	4:4:4:3:	4:3:1:	4:4:1:1:	C[5]-4:N[5]-4:C-4:C-3:	C[5]-4:N-3:O-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CF3)(CNO)	C(C[5]C[5]N[5]C)(NHH)(O)	N[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CF3)(CNO){4|H<1>}	C(C[5]C[5]N[5]C)(NHH)(O)	N[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{4|H<1>}	107.2720	0.000	1	107.2720	0.000	1	107.2720	0.000	1	107.2720	0.000	1	109.8406	3.456	105	109.8524	3.520	108
474	931	951	0:SP3_SP-NON_SPD5	C[5]	Si[5,5]	H	5:3:1:1:	4:4:2:2:4:	4:	Si[5,5]-5:N[5,6]-3:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:C-4:	C[5]-4:	C[5](Si[5,5]C[5]O[5]2C)(N[5,6]C[5,6]C[6])(H)2	Si[5,5](C[5]N[5,6]HH)2(O[5]C[5,6])2(CH3)	H(C[5]Si[5,5]N[5,6]H)	C[5](Si[5,5]C[5]O[5]2C)(N[5,6]C[5,6]C[6])(H)2{1|Cl<1>,1|N<3>,2|H<1>,3|C<3>}	Si[5,5](C[5]N[5,6]HH)2(O[5]C[5,6])2(CH3){4|C<3>}	H(C[5]Si[5,5]N[5,6]H)	110.1800	0.102	6	110.2400	0.012	24	110.2400	0.012	24	110.2400	0.012	24	110.2400	0.012	24	110.0265	0.634	43
474	931	951	0:SP3_SP-NON_SPD5	C[5]	Si[5,5]	H	5:3:1:1:	4:4:2:2:4:	4:	Si[5,5]-5:N[5,6]-3:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:C-4:	C[5]-4:	C[5](Si[5,5]C[5]O[5]2C)(N[5,6]C[5,6]C[6])(H)2	Si[5,5](C[5]N[5,6]HH)2(O[5]C[5,6])2(CH3)	H(C[5]Si[5,5]N[5,6]H)	C[5](Si[5,5]C[5]O[5]2C)(N[5,6]C[5,6]C[6])(H)2{1|N<3>,3|C<3>,3|H<1>}	Si[5,5](C[5]N[5,6]HH)2(O[5]C[5,6])2(CH3){4|C<3>}	H(C[5]Si[5,5]N[5,6]H)	110.2601	0.109	18	110.2400	0.012	24	110.2400	0.012	24	110.2400	0.012	24	110.2400	0.012	24	110.0265	0.634	43
474	931	951	0:SP3_SP-NON_SPD5	C[5]	Si[5]	H	3:5:1:1:	4:2:1:1:1:	4:	N[5,6]-3:Si[5]-5:H-1:H-1:	C[5]-4:O[5]-2:F-1:F-1:F-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]F3)(H)2	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(F)3	H(C[5]N[5,6]Si[5]H)	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]F3)(H)2{1|O<1>,2|C<4>}	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(F)3{1|C<3>,1|C<4>}	H(C[5]N[5,6]Si[5]H)	109.6110	0.014	2	109.6110	0.000	2	109.6110	0.000	2	109.6110	0.000	2	109.7567	1.326	19	110.0265	0.634	43
474	931	951	0:SP3_SP-NON_SPD5	C[5]	Si[5]	H	3:5:1:1:	4:2:4:4:1:	4:	N[5,6]-3:Si[5]-5:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:Cl-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]ClCC)(H)2	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(Cl)	H(C[5]N[5,6]Si[5]H)	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]ClCC)(H)2{1|Cl<1>,2|C<3>}	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(Cl){2|C<3>}	H(C[5]N[5,6]Si[5]H)	109.8510	0.029	4	109.8510	0.001	4	109.8510	0.001	4	109.7430	0.059	5	109.7567	1.326	19	110.0265	0.634	43
474	931	951	0:SP3_SP-NON_SPD5	C[5]	Si[5]	H	3:5:1:1:	4:2:4:4:1:	4:	N[5,6]-3:Si[5]-5:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:F-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CCF)(H)2	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(F)	H(C[5]N[5,6]Si[5]H)	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CCF)(H)2{1|C<4>,2|C<3>}	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(F){2|C<3>}	H(C[5]N[5,6]Si[5]H)	109.3110	0.000	1	109.3110	0.000	1	109.3110	0.000	1	109.7430	0.059	5	109.7567	1.326	19	110.0265	0.634	43
474	931	951	0:SP3_SP-NON_SPD5	C[5]	Si[5]	H	3:5:1:1:	4:2:4:4:2:	4:	N[5,6]-3:Si[5]-5:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:O-2:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CCO)(H)2	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CH3)2(OS)	H(C[5]N[5,6]Si[5]H)	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CCO)(H)2{1|O<1>,2|C<4>}	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CH3)2(OS){1|C<3>,1|C<4>}	H(C[5]N[5,6]Si[5]H)	110.1240	0.099	3	110.1240	0.010	3	110.1240	0.010	3	110.1240	0.010	3	109.7567	1.326	19	110.0265	0.634	43
474	931	951	0:SP3_SP-NON_SPD5	C[5]	Si[5]	H	3:5:1:1:	4:2:4:4:3:	4:	N[5,6]-3:Si[5]-5:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:O-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CCO)(H)2	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(OHH)	H(C[5]N[5,6]Si[5]H)	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CCO)(H)2{1|C<4>,2|C<3>}	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(OHH){2|C<3>}	H(C[5]N[5,6]Si[5]H)	110.0930	0.013	2	109.9917	0.031	3	109.5702	0.352	5	109.5702	0.352	5	109.7567	1.326	19	110.0265	0.634	43
474	931	951	0:SP3_SP-NON_SPD5	C[5]	Si[5]	H	3:5:1:1:	4:2:4:4:3:	4:	N[5,6]-3:Si[5]-5:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:O-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CCO)(H)2	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(OHH)	H(C[5]N[5,6]Si[5]H)	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CCO)(H)2{1|Cl<1>,2|C<3>}	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(OHH){2|C<3>}	H(C[5]N[5,6]Si[5]H)	109.7890	0.000	1	109.9917	0.031	3	109.5702	0.352	5	109.5702	0.352	5	109.7567	1.326	19	110.0265	0.634	43
474	931	951	0:SP3_SP-NON_SPD5	C[5]	Si[5]	H	3:5:1:1:	4:2:4:4:3:	4:	N[5,6]-3:Si[5]-5:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:O-3:	C[5]-4:	C[5](N[5,6]C[6,6a]C[5,6])(Si[5]O[5]CCO)(H)2	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CH3)2(OHH)	H(C[5]N[5,6]Si[5]H)	C[5](N[5,6]C[6,6a]C[5,6])(Si[5]O[5]CCO)(H)2{3|C<3>}	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CH3)2(OHH){2|C<3>}	H(C[5]N[5,6]Si[5]H)	108.9380	0.115	2	108.9380	0.013	2	109.5702	0.352	5	109.5702	0.352	5	109.7567	1.326	19	110.0265	0.634	43
474	931	951	0:SP3_SP-NON_SPD5	C[5]	Si[5]	H	5:3:1:1:	4:2:4:4:1:	4:	Si[5]-5:N[5]-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:Cl-1:	C[5]-4:	C[5](Si[5]O[5]ClCC)(N[5]C[5]N)(H)2	Si[5](C[5]N[5]HH)(O[5]C[5])(CH3)2(Cl)	H(C[5]Si[5]N[5]H)	C[5](Si[5]O[5]ClCC)(N[5]C[5]N)(H)2{1|C<4>}	Si[5](C[5]N[5]HH)(O[5]C[5])(CH3)2(Cl){1|C<4>,1|N<2>}	H(C[5]Si[5]N[5]H)	110.5400	4.405	2	110.5400	19.406	2	110.5400	19.406	2	109.8042	7.191	4	109.7567	1.326	19	110.0265	0.634	43
474	931	951	0:SP3_SP-NON_SPD5	C[5]	Si[5]	H	5:3:1:1:	4:2:4:4:1:	4:	Si[5]-5:N[5]-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:F-1:	C[5]-4:	C[5](Si[5]O[5]CCF)(N[5]C[5]C)(H)2	Si[5](C[5]N[5]HH)(O[5]C[5])(CH3)2(F)	H(C[5]Si[5]N[5]H)	C[5](Si[5]O[5]CCF)(N[5]C[5]C)(H)2{1|C<4>}	Si[5](C[5]N[5]HH)(O[5]C[5])(CH3)2(F){2|C<4>}	H(C[5]Si[5]N[5]H)	109.0685	0.049	2	109.0685	0.002	2	109.0685	0.002	2	109.8042	7.191	4	109.7567	1.326	19	110.0265	0.634	43
474	940	951	0:SP3_SP-NON_SP-NON	C[5]	P	H	4:4:2:1:	4:3:	4:	C[5]-4:C[5]-4:P-2:H-1:	C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)2(PC)(H)	P(C[5]C[5]2H)(CMgC)	H(C[5]C[5]2P)	C[5](C[5]C[5]HH)2(PC)(H){4|H<1>}	P(C[5]C[5]2H)(CMgC)	H(C[5]C[5]2P)	109.1470	0.000	1	109.1470	0.000	1	109.1470	0.000	1	109.1470	0.000	1	109.1470	0.000	1	109.1470	0.000	1
474	941	941	0:SP3_SP2_SP2	C[5]	N	N	3:3:2:2:	3:4:	3:4:	C[5,6a]-3:N[5]-3:N-2:N-2:	C[5a]-3:C[5]-4:	C[5a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Cd)(NC[5a])2	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5]N)	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Cd)(NC[5a])2{1|H<1>,1|N<2>,2|C<3>}	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5]N)	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5]N)	106.8650	2.496	2	106.8650	6.230	2	108.4305	3.427	6	108.4305	3.427	6	108.4579	2.861	7	108.4579	2.861	7
474	941	941	0:SP3_SP2_SP2	C[5]	N	N	3:3:2:2:	3:4:	3:4:	C[5,6a]-3:N[5]-3:N-2:N-2:	C[5a]-3:C[5]-4:	C[5a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Co)(NC[5a])2	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5]N)	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Co)(NC[5a])2{1|H<1>,1|N<2>,2|C<3>}	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5]N)	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5]N)	108.8755	0.204	2	108.8755	0.042	2	108.4305	3.427	6	108.4305	3.427	6	108.4579	2.861	7	108.4579	2.861	7
474	941	941	0:SP3_SP2_SP2	C[5]	N	N	3:3:2:2:	3:4:	3:4:	C[5,6a]-3:N[5]-3:N-2:N-2:	C[5a]-3:C[5]-4:	C[5a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Fe)(NC[5a])2	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5]N)	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Fe)(NC[5a])2{1|H<1>,1|N<2>,2|C<3>}	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5]N)	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5]N)	109.5510	1.748	2	109.5510	3.055	2	108.4305	3.427	6	108.4305	3.427	6	108.4579	2.861	7	108.4579	2.861	7
474	941	941	0:SP3_SP2_SP2	C[5]	N	N	4:3:2:2:	4:2:	4:2:	C[5,6]-4:N[5]-3:N-2:N-2:	C[5]-4:N-2:	C[5]-4:N-2:	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(NN)2	N(C[5]C[5,6]N[5]N)(NN)	N(C[5]C[5,6]N[5]N)(NN)	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(NN)2{1|C<4>,2|H<1>,3|C<3>}	N(C[5]C[5,6]N[5]N)(NN)	N(C[5]C[5,6]N[5]N)(NN)	108.6220	0.000	1	108.6220	0.000	1	108.6220	0.000	1	108.6220	0.000	1	108.4579	2.861	7	108.4579	2.861	7
474	941	951	0:SP3_SP-NON_SP2	C[5,5]	N	H	4:4:2:1:	4:2:	4:	C[5,5,6]-4:C[5,5,6]-4:N-2:H-1:	C[5,5]-4:N-2:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(NN)(H)	N(C[5,5]C[5,5,6]2H)(NN)	H(C[5,5]C[5,5,6]2N)	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(NN)(H){1|N<3>,3|H<1>}	N(C[5,5]C[5,5,6]2H)(NN)	H(C[5,5]C[5,5,6]2N)	111.5450	0.000	1	111.5450	0.000	1	111.5450	0.000	1	111.5450	0.000	1	111.5450	0.000	1	109.5136	5.877	77
474	941	951	0:SP3_SP-NON_SP2	C[5,6]	N	H	4:4:2:1:	4:2:	4:	C[5,5,6]-4:C[5,6]-4:N-2:H-1:	C[5,6]-4:C-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NC)(H)	N(C[5,6]C[5,5,6]C[5,6]H)(CPd)	H(C[5,6]C[5,5,6]C[5,6]N)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NC)(H){3|C<4>,3|H<1>}	N(C[5,6]C[5,5,6]C[5,6]H)(CPd)	H(C[5,6]C[5,5,6]C[5,6]N)	109.0230	0.450	2	109.0230	0.202	2	109.0230	0.202	2	109.0230	0.202	2	109.0230	0.202	2	109.5136	5.877	77
474	941	951	0:SP3_SP-NON_SP2	C[5]	N	H	3:2:2:1:	4:3:	4:	C[5,6a]-3:O[5]-2:N-2:H-1:	C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NC[6a])(H)	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)	H(C[5]C[5,6a]O[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NC[6a])(H){1|H<1>,1|O<1>,2|C<3>}	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)	H(C[5]C[5,6a]O[5]N)	109.1670	0.000	1	109.1670	0.000	1	109.1670	0.000	1	111.0795	7.315	2	109.4995	6.052	74	109.5136	5.877	77
474	941	951	0:SP3_SP-NON_SP2	C[5]	N	H	3:2:2:1:	4:3:	4:	C[5]-3:O[5]-2:N-2:H-1:	C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5]C[6a]C[5])(O[5]S[5])(NC[6a])(H)	N(C[5]C[5]O[5]H)(C[6a]C[6a]2)	H(C[5]C[5]O[5]N)	C[5](C[5]C[6a]C[5])(O[5]S[5])(NC[6a])(H){1|O<1>,3|C<3>}	N(C[5]C[5]O[5]H)(C[6a]C[6a]2)	H(C[5]C[5]O[5]N)	112.9920	0.000	1	112.9920	0.000	1	112.9920	0.000	1	111.0795	7.315	2	109.4995	6.052	74	109.5136	5.877	77
474	941	951	0:SP3_SP-NON_SP2	C[5]	N	H	3:3:2:1:	4:3:	4:	C[5,6a]-3:N[5]-3:N-2:H-1:	C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Fe)(NC[6])(H)	N(C[5]C[5,6a]N[5]H)(C[6]C[6]2)	H(C[5]C[5,6a]N[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Fe)(NC[6])(H){1|H<1>,1|N<2>,2|C<3>}	N(C[5]C[5,6a]N[5]H)(C[6]C[6]2)	H(C[5]C[5,6a]N[5]N)	106.6860	0.000	1	106.6860	0.000	1	106.6860	0.000	1	108.5290	6.793	2	109.4995	6.052	74	109.5136	5.877	77
474	941	951	0:SP3_SP-NON_SP2	C[5]	N	H	3:3:2:1:	4:3:	4:	C[5]-3:C[5]-3:N-2:H-1:	C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]C)(C[5]N[5]O)(NC)(H)	N(C[5]C[5]2H)(CC[6a]C)	H(C[5]C[5]2N)	C[5](C[5]C[5]C)(C[5]N[5]O)(NC)(H){1|C<3>,1|O<1>}	N(C[5]C[5]2H)(CC[6a]C)	H(C[5]C[5]2N)	110.3720	0.000	1	110.3720	0.000	1	110.3720	0.000	1	108.5290	6.793	2	109.4995	6.052	74	109.5136	5.877	77
474	941	951	0:SP3_SP-NON_SP2	C[5]	N	H	3:4:2:1:	4:1:	4:	C[5,6a]-3:C[5]-4:N-2:H-1:	C[5]-4:C-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]H)(NC)(H)	N(C[5]C[5,6a]C[5]H)(C)	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]H)(NC)(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	N(C[5]C[5,6a]C[5]H)(C)	H(C[5]C[5,6a]C[5]N)	109.7590	0.000	1	109.7590	0.000	1	109.7590	0.000	1	109.7590	0.000	1	109.4995	6.052	74	109.5136	5.877	77
474	941	951	0:SP3_SP-NON_SP2	C[5]	N	H	3:4:2:1:	4:2:	4:	C[5,5a]-3:C[5]-4:N-2:H-1:	C[5]-4:N-2:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HO)(NN)(H)	N(C[5]C[5,5a]C[5]H)(NN)	H(C[5]C[5,5a]C[5]N)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HO)(NN)(H){2|H<1>,3|C<3>}	N(C[5]C[5,5a]C[5]H)(NN)	H(C[5]C[5,5a]C[5]N)	111.9210	0.000	1	111.9210	0.000	1	111.9210	0.000	1	109.8465	3.503	4	109.4995	6.052	74	109.5136	5.877	77
474	941	951	0:SP3_SP-NON_SP2	C[5]	N	H	3:4:2:1:	4:2:	4:	C[5,6a]-3:C[5,5]-4:N-2:H-1:	C[5]-4:N-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(NN)(H)	N(C[5]C[5,6a]C[5,5]H)(NN)	H(C[5]C[5,6a]C[5,5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(NN)(H){1|O<2>,1|S<4>,3|C<3>,3|H<1>}	N(C[5]C[5,6a]C[5,5]H)(NN)	H(C[5]C[5,6a]C[5,5]N)	110.7370	0.000	1	110.7370	0.000	1	110.7370	0.000	1	109.8465	3.503	4	109.4995	6.052	74	109.5136	5.877	77
474	941	951	0:SP3_SP-NON_SP2	C[5]	N	H	3:4:2:1:	4:2:	4:	C[5,6a]-3:C[5]-4:N-2:H-1:	C[5]-4:C-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(NC)(H)	N(C[5]C[5,6a]C[5]H)(CO)	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(NC)(H){2|C<3>,3|H<1>}	N(C[5]C[5,6a]C[5]H)(CO)	H(C[5]C[5,6a]C[5]N)	107.6510	0.000	1	107.6510	0.000	1	107.6510	0.000	1	109.8465	3.503	4	109.4995	6.052	74	109.5136	5.877	77
474	941	951	0:SP3_SP-NON_SP2	C[5]	N	H	3:4:2:1:	4:2:	4:	C[5,6a]-3:C[5]-4:N-2:H-1:	C[5]-4:N-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(NN)(H)	N(C[5]C[5,6a]C[5]H)(NN)	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(NN)(H){1|H<1>,3|C<3>}	N(C[5]C[5,6a]C[5]H)(NN)	H(C[5]C[5,6a]C[5]N)	109.0770	0.000	1	109.0770	0.000	1	109.0770	0.000	1	109.8465	3.503	4	109.4995	6.052	74	109.5136	5.877	77
474	941	951	0:SP3_SP-NON_SP2	C[5]	N	H	3:4:2:1:	4:3:	4:	C[5,6a]-3:C[5]-4:N-2:H-1:	C[5]-4:C-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NC)(H)	N(C[5]C[5,6a]C[5]H)(CCH)	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NC)(H){2|C<3>,3|H<1>}	N(C[5]C[5,6a]C[5]H)(CCH)	H(C[5]C[5,6a]C[5]N)	109.6760	0.000	1	109.6760	0.000	1	109.4590	0.520	3	109.4590	0.520	3	109.4995	6.052	74	109.5136	5.877	77
474	941	951	0:SP3_SP-NON_SP2	C[5]	N	H	3:4:2:1:	4:3:	4:	C[5,6a]-3:C[5]-4:N-2:H-1:	C[5]-4:C-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NC)(H)	N(C[5]C[5,6a]C[5]H)(CC[5a]H)	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NC)(H){2|C<3>,3|H<1>}	N(C[5]C[5,6a]C[5]H)(CC[5a]H)	H(C[5]C[5,6a]C[5]N)	110.0470	0.000	1	110.0470	0.000	1	109.4590	0.520	3	109.4590	0.520	3	109.4995	6.052	74	109.5136	5.877	77
474	941	951	0:SP3_SP-NON_SP2	C[5]	N	H	3:4:2:1:	4:3:	4:	C[5,6a]-3:C[5]-4:N-2:H-1:	C[5]-4:C-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NC)(H)	N(C[5]C[5,6a]C[5]H)(CNO)	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NC)(H){2|C<3>,3|H<1>}	N(C[5]C[5,6a]C[5]H)(CNO)	H(C[5]C[5,6a]C[5]N)	108.6540	0.000	1	108.6540	0.000	1	109.4590	0.520	3	109.4590	0.520	3	109.4995	6.052	74	109.5136	5.877	77
474	941	951	0:SP3_SP-NON_SP2	C[5]	N	H	3:4:2:1:	4:4:	4:	C[5,6a]-3:C[5]-4:N-2:H-1:	C[5]-4:P-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NP)(H)	N(C[5]C[5,6a]C[5]H)(PC[6a]BC)	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NP)(H){2|C<3>,3|H<1>}	N(C[5]C[5,6a]C[5]H)(PC[6a]BC)	H(C[5]C[5,6a]C[5]N)	108.1130	0.000	1	108.1130	0.000	1	108.1130	0.000	1	108.1130	0.000	1	109.4995	6.052	74	109.5136	5.877	77
474	941	951	0:SP3_SP-NON_SP2	C[5]	N	H	4:3:2:1:	3:4:	4:	C[5]-4:C[5]-3:N-2:H-1:	C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(NC[6a])(H)	N(C[6a]C[6a]2)(C[5]C[5]2H)	H(C[5]C[5]2N)	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(NC[6a])(H){1|C<4>,1|O<2>}	N(C[6a]C[6a]2)(C[5]C[5]2H)	H(C[5]C[5]2N)	108.9850	0.000	1	108.9850	0.000	1	108.9850	0.000	1	108.9850	0.000	1	109.4995	6.052	74	109.5136	5.877	77
474	941	951	0:SP3_SP-NON_SP2	C[5]	N	H	4:3:2:1:	4:2:	4:	C[5,5]-4:N[5]-3:N-2:H-1:	C[5]-4:N-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(NN)(H)	N(C[5]C[5,5]N[5]H)(NN)	H(C[5]C[5,5]N[5]N)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(NN)(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	N(C[5]C[5,5]N[5]H)(NN)	H(C[5]C[5,5]N[5]N)	110.9237	0.460	4	110.9237	0.211	4	110.9913	0.139	6	110.2639	2.823	12	109.4995	6.052	74	109.5136	5.877	77
474	941	951	0:SP3_SP-NON_SP2	C[5]	N	H	4:3:2:1:	4:2:	4:	C[5,5]-4:N[5]-3:N-2:H-1:	C[5]-4:N-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(NN)(H)	N(C[5]C[5,5]N[5]H)(NN)	H(C[5]C[5,5]N[5]N)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(NN)(H){1|C<4>,2|H<1>,3|C<3>}	N(C[5]C[5,5]N[5]H)(NN)	H(C[5]C[5,5]N[5]N)	111.1265	0.063	2	111.1265	0.004	2	110.9913	0.139	6	110.2639	2.823	12	109.4995	6.052	74	109.5136	5.877	77
474	941	951	0:SP3_SP-NON_SP2	C[5]	N	H	4:3:2:1:	4:2:	4:	C[5,6]-4:C[5]-3:N-2:H-1:	C[5]-4:N-2:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(NN)(H)	N(C[5]C[5,6]C[5]H)(NN)	H(C[5]C[5,6]C[5]N)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(NN)(H){1|H<1>,2|C<4>}	N(C[5]C[5,6]C[5]H)(NN)	H(C[5]C[5,6]C[5]N)	113.0320	0.000	1	113.0320	0.000	1	113.0320	0.000	1	110.2639	2.823	12	109.4995	6.052	74	109.5136	5.877	77
474	941	951	0:SP3_SP-NON_SP2	C[5]	N	H	4:3:2:1:	4:2:	4:	C[5]-4:C[5]-3:N-2:H-1:	C[5]-4:N-2:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(NN)(H)	N(C[5]C[5]2H)(NN)	H(C[5]C[5]2N)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(NN)(H){1|N<3>,2|C<3>,2|H<1>}	N(C[5]C[5]2H)(NN)	H(C[5]C[5]2N)	108.3970	0.000	1	108.3970	0.000	1	108.3970	0.000	1	110.2639	2.823	12	109.4995	6.052	74	109.5136	5.877	77
474	941	951	0:SP3_SP-NON_SP2	C[5]	N	H	4:3:2:1:	4:2:	4:	C[5]-4:N[5]-3:N-2:H-1:	C[5]-4:N-2:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(NN)(H)	N(C[5]C[5]N[5]H)(NN)	H(C[5]C[5]N[5]N)	C[5](C[5]C[5]HH)(N[5]C[5]C)(NN)(H){1|C<3>,3|H<1>}	N(C[5]C[5]N[5]H)(NN)	H(C[5]C[5]N[5]N)	110.5730	0.000	1	108.9475	3.034	4	108.9475	3.034	4	110.2639	2.823	12	109.4995	6.052	74	109.5136	5.877	77
474	941	951	0:SP3_SP-NON_SP2	C[5]	N	H	4:3:2:1:	4:2:	4:	C[5]-4:N[5]-3:N-2:H-1:	C[5]-4:N-2:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(NN)(H)	N(C[5]C[5]N[5]H)(NN)	H(C[5]C[5]N[5]N)	C[5](C[5]C[5]HH)(N[5]C[5]C)(NN)(H){1|N<2>,3|H<1>}	N(C[5]C[5]N[5]H)(NN)	H(C[5]C[5]N[5]N)	109.2230	1.253	2	108.9475	3.034	4	108.9475	3.034	4	110.2639	2.823	12	109.4995	6.052	74	109.5136	5.877	77
474	941	951	0:SP3_SP-NON_SP2	C[5]	N	H	4:3:2:1:	4:2:	4:	C[5]-4:N[5]-3:N-2:H-1:	C[5]-4:N-2:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(NN)(H)	N(C[5]C[5]N[5]H)(NN)	H(C[5]C[5]N[5]N)	C[5](C[5]C[5]HH)(N[5]C[5]C)(NN)(H){4|H<1>}	N(C[5]C[5]N[5]H)(NN)	H(C[5]C[5]N[5]N)	106.7710	0.000	1	108.9475	3.034	4	108.9475	3.034	4	110.2639	2.823	12	109.4995	6.052	74	109.5136	5.877	77
474	941	951	0:SP3_SP-NON_SP2	C[5]	N	H	4:3:2:1:	4:3:	4:	C[5]-4:C[5]-3:N-2:H-1:	C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(NC)(H)	N(C[5]C[5]2H)(COO)	H(C[5]C[5]2N)	C[5](C[5]C[5]CH)(C[5]O[5]O)(NC)(H){1|C<4>,1|H<1>}	N(C[5]C[5]2H)(COO)	H(C[5]C[5]2N)	107.0480	0.000	1	107.0480	0.000	1	107.5500	0.504	2	107.5500	0.504	2	109.4995	6.052	74	109.5136	5.877	77
474	941	951	0:SP3_SP-NON_SP2	C[5]	N	H	4:3:2:1:	4:3:	4:	C[5]-4:C[5]-3:N-2:H-1:	C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(NC)(H)	N(C[5]C[5]2H)(COO)	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]N[5]O)(NC)(H){1|O<1>,1|O<2>}	N(C[5]C[5]2H)(COO)	H(C[5]C[5]2N)	108.0520	0.000	1	108.0520	0.000	1	107.5500	0.504	2	107.5500	0.504	2	109.4995	6.052	74	109.5136	5.877	77
474	941	951	0:SP3_SP-NON_SP2	C[5]	N	H	4:3:2:1:	4:4:	4:	C[5]-4:C[5]-3:N-2:H-1:	C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(NC)(H)	N(C[5]C[5]2H)(CC[6a]HH)	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]N[5]O)(NC)(H){1|C<4>,1|O<1>}	N(C[5]C[5]2H)(CC[6a]HH)	H(C[5]C[5]2N)	109.7170	0.000	1	109.7170	0.000	1	109.7170	0.000	1	109.7170	0.000	1	109.4995	6.052	74	109.5136	5.877	77
474	941	951	0:SP3_SP-NON_SP2	C[5]	N	H	4:4:2:1:	3:4:	4:	C[5]-4:C[5]-4:N-2:H-1:	C[6,6]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NC[6,6])(H)	N(C[6,6]C[3x6]N[6,6])(C[5]C[5]2H)	H(C[5]C[5]2N)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NC[6,6])(H){4|H<1>}	N(C[6,6]C[3x6]N[6,6])(C[5]C[5]2H)	H(C[5]C[5]2N)	109.6470	0.000	1	109.6470	0.000	1	109.6470	0.000	1	109.6470	0.000	1	109.4995	6.052	74	109.5136	5.877	77
474	941	951	0:SP3_SP-NON_SP2	C[5]	N	H	4:4:2:1:	4:1:	4:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:C-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NC)(H)	N(C[5]C[5]2H)(C)	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NC)(H){1|H<1>,1|N<3>}	N(C[5]C[5]2H)(C)	H(C[5]C[5]2N)	98.3476	0.000	1	98.3476	0.000	1	98.3476	0.000	1	98.3476	0.000	1	109.4995	6.052	74	109.5136	5.877	77
474	941	951	0:SP3_SP-NON_SP2	C[5]	N	H	4:4:2:1:	4:2:	4:	C[3,5]-4:C[5,5]-4:N-2:H-1:	C[5]-4:N-2:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(C[5,5]C[5]2N[5])(NN)(H)	N(C[5]C[3,5]C[5,5]H)(NN)	H(C[5]C[3,5]C[5,5]N)	C[5](C[3,5]C[3,5]O[3]H)(C[5,5]C[5]2N[5])(NN)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	N(C[5]C[3,5]C[5,5]H)(NN)	H(C[5]C[3,5]C[5,5]N)	112.8355	0.346	2	112.8355	0.120	2	112.8355	0.120	2	109.6500	8.002	28	109.4995	6.052	74	109.5136	5.877	77
474	941	951	0:SP3_SP-NON_SP2	C[5]	N	H	4:4:2:1:	4:2:	4:	C[3,5]-4:C[5]-4:N-2:H-1:	C[5]-4:N-2:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HO)(NN)(H)	N(C[5]C[3,5]C[5]H)(NN)	H(C[5]C[3,5]C[5]N)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HO)(NN)(H){1|C<3>,1|O<2>,3|H<1>}	N(C[5]C[3,5]C[5]H)(NN)	H(C[5]C[3,5]C[5]N)	112.7580	0.000	1	112.7580	0.000	1	112.7580	0.000	1	109.6500	8.002	28	109.4995	6.052	74	109.5136	5.877	77
474	941	951	0:SP3_SP-NON_SP2	C[5]	N	H	4:4:2:1:	4:2:	4:	C[5,5]-4:C[5]-4:N-2:H-1:	C[5]-4:N-2:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)(NN)(H)	N(C[5]C[5,5]C[5]H)(NN)	H(C[5]C[5,5]C[5]N)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	N(C[5]C[5,5]C[5]H)(NN)	H(C[5]C[5,5]C[5]N)	110.1350	1.335	3	110.1350	1.781	3	109.2613	3.692	6	109.6500	8.002	28	109.4995	6.052	74	109.5136	5.877	77
474	941	951	0:SP3_SP-NON_SP2	C[5]	N	H	4:4:2:1:	4:2:	4:	C[5,5]-4:C[5]-4:N-2:H-1:	C[5]-4:N-2:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HN)(NN)(H)	N(C[5]C[5,5]C[5]H)(NN)	H(C[5]C[5,5]C[5]N)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HN)(NN)(H){1|C<3>,1|H<1>,3|C<4>,3|O<2>}	N(C[5]C[5,5]C[5]H)(NN)	H(C[5]C[5,5]C[5]N)	106.7360	0.000	1	106.7360	0.000	1	109.2613	3.692	6	109.6500	8.002	28	109.4995	6.052	74	109.5136	5.877	77
474	941	951	0:SP3_SP-NON_SP2	C[5]	N	H	4:4:2:1:	4:2:	4:	C[5,5]-4:C[5]-4:N-2:H-1:	C[5]-4:N-2:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O[5]H)(NN)(H)	N(C[5]C[5,5]C[5]H)(NN)	H(C[5]C[5,5]C[5]N)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O[5]H)(NN)(H){1|O<1>,2|C<4>,2|O<2>,3|H<1>}	N(C[5]C[5,5]C[5]H)(NN)	H(C[5]C[5,5]C[5]N)	107.4490	0.000	1	107.4490	0.000	1	109.2613	3.692	6	109.6500	8.002	28	109.4995	6.052	74	109.5136	5.877	77
474	941	951	0:SP3_SP-NON_SP2	C[5]	N	H	4:4:2:1:	4:2:	4:	C[5,5]-4:C[5]-4:N-2:H-1:	C[5]-4:N-2:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(NN)(H)	N(C[5]C[5,5]C[5]H)(NN)	H(C[5]C[5,5]C[5]N)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(NN)(H){1|Br<1>,2|C<4>,4|H<1>}	N(C[5]C[5,5]C[5]H)(NN)	H(C[5]C[5,5]C[5]N)	110.9780	0.000	1	110.9780	0.000	1	109.2613	3.692	6	109.6500	8.002	28	109.4995	6.052	74	109.5136	5.877	77
474	941	951	0:SP3_SP-NON_SP2	C[5]	N	H	4:4:2:1:	4:2:	4:	C[5,6]-4:C[5]-4:N-2:H-1:	C[5]-4:N-2:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(NN)(H)	N(C[5]C[5,6]C[5]H)(NN)	H(C[5]C[5,6]C[5]N)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(NN)(H){1|H<1>,2|C<4>}	N(C[5]C[5,6]C[5]H)(NN)	H(C[5]C[5,6]C[5]N)	97.8338	0.000	1	97.8338	0.000	1	97.8338	0.000	1	109.6500	8.002	28	109.4995	6.052	74	109.5136	5.877	77
474	941	951	0:SP3_SP-NON_SP2	C[5]	N	H	4:4:2:1:	4:2:	4:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:N-2:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NN)(H)	N(C[5]C[5]2H)(NN)	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NN)(H){1|C<3>,1|N<3>,2|H<1>}	N(C[5]C[5]2H)(NN)	H(C[5]C[5]2N)	109.6282	1.232	12	109.6282	1.517	12	109.9094	1.516	18	109.6500	8.002	28	109.4995	6.052	74	109.5136	5.877	77
474	941	951	0:SP3_SP-NON_SP2	C[5]	N	H	4:4:2:1:	4:2:	4:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:N-2:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NN)(H)	N(C[5]C[5]2H)(NN)	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NN)(H){1|H<1>,2|C<3>}	N(C[5]C[5]2H)(NN)	H(C[5]C[5]2N)	110.3305	2.061	2	110.2007	2.175	3	109.9094	1.516	18	109.6500	8.002	28	109.4995	6.052	74	109.5136	5.877	77
474	941	951	0:SP3_SP-NON_SP2	C[5]	N	H	4:4:2:1:	4:2:	4:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:N-2:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NN)(H)	N(C[5]C[5]2H)(NN)	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NN)(H){1|H<1>,2|C<4>}	N(C[5]C[5]2H)(NN)	H(C[5]C[5]2N)	109.9410	0.000	1	110.2007	2.175	3	109.9094	1.516	18	109.6500	8.002	28	109.4995	6.052	74	109.5136	5.877	77
474	941	951	0:SP3_SP-NON_SP2	C[5]	N	H	4:4:2:1:	4:2:	4:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:N-2:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NN)(H)	N(C[5]C[5]2H)(NN)	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NN)(H){1|H<1>,1|N<3>}	N(C[5]C[5]2H)(NN)	H(C[5]C[5]2N)	110.4700	0.000	1	110.4700	0.000	1	109.9094	1.516	18	109.6500	8.002	28	109.4995	6.052	74	109.5136	5.877	77
474	941	951	0:SP3_SP-NON_SP2	C[5]	N	H	4:4:2:1:	4:2:	4:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:N-2:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(NN)(H)	N(C[5]C[5]2H)(NN)	H(C[5]C[5]2N)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(NN)(H){1|S<4>,2|H<1>}	N(C[5]C[5]2H)(NN)	H(C[5]C[5]2N)	110.8795	1.155	2	110.8795	1.333	2	109.9094	1.516	18	109.6500	8.002	28	109.4995	6.052	74	109.5136	5.877	77
474	941	951	0:SP3_SP-NON_SP2	C[5]	N	H	4:4:2:1:	4:3:	4:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NC)(H)	N(C[5]C[5]2H)(CC[6a]H)	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NC)(H){4|H<1>}	N(C[5]C[5]2H)(CC[6a]H)	H(C[5]C[5]2N)	110.0892	0.496	6	110.0892	0.246	6	110.1462	0.668	9	109.8748	1.331	10	109.4995	6.052	74	109.5136	5.877	77
474	941	951	0:SP3_SP-NON_SP2	C[5]	N	H	4:4:2:1:	4:3:	4:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NC)(H)	N(C[5]C[5]2H)(CCO)	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NC)(H){2|H<1>,2|O<2>}	N(C[5]C[5]2H)(CCO)	H(C[5]C[5]2N)	109.2720	0.000	1	109.2720	0.000	1	110.1462	0.668	9	109.8748	1.331	10	109.4995	6.052	74	109.5136	5.877	77
474	941	951	0:SP3_SP-NON_SP2	C[5]	N	H	4:4:2:1:	4:3:	4:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[5]HH)2(NC)(H)	N(C[5]C[5]2H)(CC[6a]H)	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)2(NC)(H){4|H<1>}	N(C[5]C[5]2H)(CC[6a]H)	H(C[5]C[5]2N)	111.8930	0.000	1	111.8930	0.000	1	110.1462	0.668	9	109.8748	1.331	10	109.4995	6.052	74	109.5136	5.877	77
474	941	951	0:SP3_SP-NON_SP2	C[5]	N	H	4:4:2:1:	4:3:	4:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:C-3:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(NC)(H)	N(C[5]C[5]2H)(COO)	H(C[5]C[5]2N)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(NC)(H){3|C<3>}	N(C[5]C[5]2H)(COO)	H(C[5]C[5]2N)	109.6160	0.000	1	109.6160	0.000	1	110.1462	0.668	9	109.8748	1.331	10	109.4995	6.052	74	109.5136	5.877	77
474	941	951	0:SP3_SP-NON_SP2	C[5]	N	H	4:4:2:1:	4:3:	4:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:S-3:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(NS)(H)	N(C[5]C[5]2H)(SCO)	H(C[5]C[5]2N)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(NS)(H){1|S<4>,2|H<1>}	N(C[5]C[5]2H)(SCO)	H(C[5]C[5]2N)	107.4320	0.000	1	107.4320	0.000	1	107.4320	0.000	1	109.8748	1.331	10	109.4995	6.052	74	109.5136	5.877	77
474	941	951	0:SP3_SP-NON_SP2	C[5]	N	H	4:4:2:1:	4:4:	4:	C[5,5]-4:C[5]-4:N-2:H-1:	C[5]-4:S-4:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]CH)(NS)(H)	N(C[5]C[5,5]C[5]H)(SC[6a]OO)	H(C[5]C[5,5]C[5]N)	C[5](C[5,5]C[5]3)(C[5]C[5]CH)(NS)(H){2|C<4>,8|H<1>}	N(C[5]C[5,5]C[5]H)(SC[6a]OO)	H(C[5]C[5,5]C[5]N)	110.0550	0.000	1	110.0550	0.000	1	110.0550	0.000	1	108.8392	0.920	5	109.4995	6.052	74	109.5136	5.877	77
474	941	951	0:SP3_SP-NON_SP2	C[5]	N	H	4:4:2:1:	4:4:	4:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HO)(NC)(H)	N(C[5]C[5]2H)(CC[6a]HH)	H(C[5]C[5]2N)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(NC)(H){2|H<1>,2|O<2>}	N(C[5]C[5]2H)(CC[6a]HH)	H(C[5]C[5]2N)	109.0570	0.000	1	109.0570	0.000	1	109.0570	0.000	1	108.8392	0.920	5	109.4995	6.052	74	109.5136	5.877	77
474	941	951	0:SP3_SP-NON_SP2	C[5]	N	H	4:4:2:1:	4:4:	4:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:P-4:	C[5]-4:	C[5](C[5]C[5]RuC)(C[5]N[5]HH)(NP)(H)	N(C[5]C[5]2H)(PRuCC)	H(C[5]C[5]2N)	C[5](C[5]C[5]RuC)(C[5]N[5]HH)(NP)(H){1|H<1>,1|P<3>}	N(C[5]C[5]2H)(PRuCC)	H(C[5]C[5]2N)	109.3300	0.000	1	109.3300	0.000	1	109.3300	0.000	1	108.8392	0.920	5	109.4995	6.052	74	109.5136	5.877	77
474	941	951	0:SP3_SP-NON_SP2	C[5]	N	H	4:4:2:1:	4:4:	4:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(NS)(H)	N(C[5]C[5]2H)(SC[6a]OO)	H(C[5]C[5]2N)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(NS)(H){1|O<1>}	N(C[5]C[5]2H)(SC[6a]OO)	H(C[5]C[5]2N)	108.0510	0.000	1	108.0510	0.000	1	107.8770	0.061	2	108.8392	0.920	5	109.4995	6.052	74	109.5136	5.877	77
474	941	951	0:SP3_SP-NON_SP2	C[5]	N	H	4:4:2:1:	4:4:	4:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:S-4:	C[5]-4:	C[5](C[5]C[5]HH)2(NS)(H)	N(C[5]C[5]2H)(SC[6a]OO)	H(C[5]C[5]2N)	C[5](C[5]C[5]HH)2(NS)(H){1|H<1>,3|C<4>}	N(C[5]C[5]2H)(SC[6a]OO)	H(C[5]C[5]2N)	107.7030	0.000	1	107.7030	0.000	1	107.8770	0.061	2	108.8392	0.920	5	109.4995	6.052	74	109.5136	5.877	77
474	941	956	0:SP3_SP2_SP2	C[5]	N	N	3:3:3:2:	3:4:	3:4:1:	C[5,6a]-3:N[5]-3:N-3:N-2:	C[5a]-3:C[5]-4:	C[5a]-3:C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Cd)(NC[5a]H)(NC[5a])	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5]N)	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5]N)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Cd)(NC[5a]H)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5]N)	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5]N)(H)	105.9135	1.330	2	105.9135	1.769	2	105.9135	1.769	2	105.9135	1.769	2	106.2543	1.233	3	106.2543	1.233	3
474	941	956	0:SP3_SP2_SP2	C[5]	N	N	4:3:3:2:	4:3:	4:3:1:	C[5]-4:N[5]-3:N-3:N-2:	C[5]-4:C-3:	C[5]-4:C[6a]-3:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]C)(NC[6a]H)(NC)	N(C[5]C[5]N[5]N)(CCO)	N(C[5]C[5]N[5]N)(C[6a]C[6a]2)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(NC[6a]H)(NC){1|O<1>,2|H<1>}	N(C[5]C[5]N[5]N)(CCO)	N(C[5]C[5]N[5]N)(C[6a]C[6a]2)(H)	106.9360	0.000	1	106.9360	0.000	1	106.9360	0.000	1	106.9360	0.000	1	106.2543	1.233	3	106.2543	1.233	3
474	941	976	0:SP3_SP2_SP2	C[5,6]	N	O[5]	4:3:2:2:	4:3:	4:3:	C[5,6]-4:C[6]-3:O[5]-2:N-2:	C[5,6]-4:C-3:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]C)(O[5]C[5])(NC)	N(C[5,6]C[5,6]C[6]O[5])(CC[6a]H)	O[5](C[5,6]C[5,6]C[6]N)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]C)(O[5]C[5])(NC){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N(C[5,6]C[5,6]C[6]O[5])(CC[6a]H)	O[5](C[5,6]C[5,6]C[6]N)(C[5]C[5]O){3|C<3>,3|C<4>}	110.9540	0.000	1	110.9540	0.000	1	110.9540	0.000	1	110.9540	0.000	1	111.5615	0.738	2	111.7940	0.531	3
474	941	976	0:SP3_SP2_SP2	C[5,6]	N	O[5]	4:4:2:2:	4:3:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:N-2:	C[5,6]-4:C-3:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]O[6]H)(O[5]C[5])(NC)	N(C[5,6]C[5,6]C[6]O[5])(CCC)	O[5](C[5,6]C[5,6]C[6]N)(C[5]C[5]C)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]O[6]H)(O[5]C[5])(NC){1|C<2>,1|C<4>,4|C<3>}	N(C[5,6]C[5,6]C[6]O[5])(CCC)	O[5](C[5,6]C[5,6]C[6]N)(C[5]C[5]C){1|C<2>,1|O<2>,2|C<3>,2|H<1>}	112.1690	0.000	1	112.1690	0.000	1	112.1690	0.000	1	112.1690	0.000	1	111.5615	0.738	2	111.7940	0.531	3
474	941	976	0:SP3_SP2_SP2	C[5]	N	O[5]	3:2:2:1:	4:3:	4:3:	C[5,6a]-3:O[5]-2:N-2:H-1:	C[5]-4:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NC[6a])(H)	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)	O[5](C[5]C[5,6a]HN)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NC[6a])(H){1|H<1>,1|O<1>,2|C<3>}	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)	O[5](C[5]C[5,6a]HN)(C[5]C[5,6a]O){2|C<3>}	112.2590	0.000	1	112.2590	0.000	1	112.2590	0.000	1	112.2590	0.000	1	112.2590	0.000	1	111.7940	0.531	3
474	941	976	0:SP3_SP2_SP3	C[5]	N	O[5]	3:2:2:1:	4:3:	4:3:	C[5]-3:O[5]-2:N-2:H-1:	C[5]-4:C[6a]-3:	C[5]-4:S[5]-3:	C[5](C[5]C[6a]C[5])(O[5]S[5])(NC[6a])(H)	N(C[5]C[5]O[5]H)(C[6a]C[6a]2)	O[5](C[5]C[5]HN)(S[5]C[5]O)	C[5](C[5]C[6a]C[5])(O[5]S[5])(NC[6a])(H){1|O<1>,3|C<3>}	N(C[5]C[5]O[5]H)(C[6a]C[6a]2)	O[5](C[5]C[5]HN)(S[5]C[5]O){2|C<3>}	111.9830	0.000	1	111.9830	0.000	1	111.9830	0.000	1	111.9830	0.000	1	108.9405	7.222	6	108.9405	7.222	6
474	941	976	0:SP3_SP2_SP3	C[5]	N	O[5]	4:2:3:2:	4:2:	4:4:	C[5]-4:O[5]-2:C-3:N-2:	C[5]-4:N-2:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CNO)(NN)	N(C[5]C[5]O[5]C)(NN)	O[5](C[5]C[5]CH)(C[5]C[5]CN)	C[5](C[5]C[5]HO)(O[5]C[5])(CNO)(NN){1|C<4>,1|O<1>,2|H<1>}	N(C[5]C[5]O[5]C)(NN)	O[5](C[5]C[5]CH)(C[5]C[5]CN){2|H<1>,2|O<1>}	108.9380	3.905	2	107.8067	11.463	3	107.8067	11.463	3	107.8067	11.463	3	108.9405	7.222	6	108.9405	7.222	6
474	941	976	0:SP3_SP2_SP3	C[5]	N	O[5]	4:2:3:2:	4:2:	4:4:	C[5]-4:O[5]-2:C-3:N-2:	C[5]-4:N-2:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CNO)(NN)	N(C[5]C[5]O[5]C)(NN)	O[5](C[5]C[5]CH)(C[5]C[5]CN)	C[5](C[5]C[5]HO)(O[5]C[5])(CNO)(NN){1|C<4>,1|O<2>,2|H<1>}	N(C[5]C[5]O[5]C)(NN)	O[5](C[5]C[5]CH)(C[5]C[5]CN){2|H<1>,2|O<2>}	105.5440	0.000	1	107.8067	11.463	3	107.8067	11.463	3	107.8067	11.463	3	108.9405	7.222	6	108.9405	7.222	6
474	941	976	0:SP3_SP2_SP3	C[5]	N	O[5]	4:2:4:2:	4:2:	3:4:	C[5]-4:O[5]-2:C-4:N-2:	C[5]-4:N-2:	N[5,5]-3:C[5]-4:	C[5](C[5]C[5,5]CH)(O[5]N[5,5])(CH3)(NN)	N(C[5]C[5]O[5]C)(NC)	O[5](N[5,5]C[5,5]C[5])(C[5]C[5]CN)	C[5](C[5]C[5,5]CH)(O[5]N[5,5])(CH3)(NN){1|H<1>,2|C<4>}	N(C[5]C[5]O[5]C)(NC)	O[5](N[5,5]C[5,5]C[5])(C[5]C[5]CN){1|C<3>,2|C<4>,4|H<1>}	109.1780	0.000	1	109.1780	0.000	1	109.1780	0.000	1	109.1780	0.000	1	108.9405	7.222	6	108.9405	7.222	6
474	941	976	0:SP3_SP2_SP3	C[5]	N	O[5]	4:2:4:2:	4:2:	4:4:	C[5]-4:O[5]-2:C-4:N-2:	C[5]-4:N-2:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(NN)	N(C[5]C[5]O[5]C)(NN)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CN)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(NN){1|F<1>,1|N<3>,2|H<1>}	N(C[5]C[5]O[5]C)(NN)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CN){1|F<1>,1|O<2>,2|C<3>,2|H<1>}	109.0620	0.000	1	109.0620	0.000	1	109.0620	0.000	1	109.0620	0.000	1	108.9405	7.222	6	108.9405	7.222	6
474	944	944	0:SP3_SP-NON_SP-NON	C[5]	I	I	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:I-1:I-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(I)2	I(C[5]C[5]2I)	I(C[5]C[5]2I)	C[5](C[5]C[5]HH)(C[5]N[5]O)(I)2{1|C<4>,2|H<1>}	I(C[5]C[5]2I)	I(C[5]C[5]2I)	109.6300	0.000	1	109.6300	0.000	1	109.6300	0.000	1	109.6300	0.000	1	109.6300	0.000	1	109.6300	0.000	1
474	944	951	0:SP3_SP-NON_SP-NON	C[5,5]	I	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:I-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[3x5,6,6]C[5,6]H)2(H)(I)	I(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2I)	C[5,5](C[5,5,6]C[3x5,6,6]C[5,6]H)2(H)(I){2|C<3>,2|C<4>,4|H<1>}	I(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2I)	101.7990	0.000	1	101.7990	0.000	1	101.7990	0.000	1	101.7990	0.000	1	101.7990	0.000	1	106.9891	6.480	24
474	944	951	0:SP3_SP-NON_SP-NON	C[5,6]	I	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:I-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)(I)	I(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2I)	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)(I){1|C<3>,2|C<4>,4|H<1>}	I(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2I)	110.2480	0.000	1	110.2480	0.000	1	107.7435	12.545	2	107.6104	9.044	8	107.6104	9.044	8	106.9891	6.480	24
474	944	951	0:SP3_SP-NON_SP-NON	C[5,6]	I	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:I-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(H)(I)	I(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2I)	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(H)(I){1|C<3>,1|C<4>,3|H<1>}	I(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2I)	105.2390	0.000	1	105.2390	0.000	1	107.7435	12.545	2	107.6104	9.044	8	107.6104	9.044	8	106.9891	6.480	24
474	944	951	0:SP3_SP-NON_SP-NON	C[5,6]	I	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:I-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)(I)	I(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]I)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)(I){1|C<4>,5|H<1>}	I(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]I)	108.4245	0.026	2	108.4245	0.001	2	107.7354	12.463	5	107.6104	9.044	8	107.6104	9.044	8	106.9891	6.480	24
474	944	951	0:SP3_SP-NON_SP-NON	C[5,6]	I	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:I-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[5,6]C[5,5,6]HH)(H)(I)	I(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]I)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[5,6]C[5,5,6]HH)(H)(I){2|C<3>,2|H<1>}	I(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]I)	110.1080	0.383	2	110.1080	0.147	2	107.7354	12.463	5	107.6104	9.044	8	107.6104	9.044	8	106.9891	6.480	24
474	944	951	0:SP3_SP-NON_SP-NON	C[5,6]	I	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:I-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(H)(I)	I(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]I)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(H)(I){1|C<3>,1|C<4>,2|H<1>}	I(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]I)	101.6120	0.000	1	101.6120	0.000	1	107.7354	12.463	5	107.6104	9.044	8	107.6104	9.044	8	106.9891	6.480	24
474	944	951	0:SP3_SP-NON_SP-NON	C[5,6]	I	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:I-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(H)(I)	I(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2I)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(H)(I){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	I(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2I)	106.7190	0.000	1	106.7190	0.000	1	106.7190	0.000	1	107.6104	9.044	8	107.6104	9.044	8	106.9891	6.480	24
474	944	951	0:SP3_SP-NON_SP-NON	C[5]	I	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:I-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5]H)(H)(I)	I(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]I)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5]H)(H)(I){2|H<1>,6|C<3>}	I(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]I)	108.2200	0.000	1	108.2200	0.000	1	107.6568	0.336	5	107.0037	3.979	15	107.0037	3.979	15	106.9891	6.480	24
474	944	951	0:SP3_SP-NON_SP-NON	C[5]	I	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:I-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)(I)	I(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]I)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)(I){1|O<2>,2|C<4>,4|H<1>}	I(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]I)	108.0880	0.000	1	107.5820	0.512	2	107.6568	0.336	5	107.0037	3.979	15	107.0037	3.979	15	106.9891	6.480	24
474	944	951	0:SP3_SP-NON_SP-NON	C[5]	I	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:I-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)(I)	I(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]I)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)(I){1|O<2>,3|C<4>,3|H<1>}	I(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]I)	107.0760	0.000	1	107.5820	0.512	2	107.6568	0.336	5	107.0037	3.979	15	107.0037	3.979	15	106.9891	6.480	24
474	944	951	0:SP3_SP-NON_SP-NON	C[5]	I	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:I-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HN)(H)(I)	I(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]I)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HN)(H)(I){1|O<1>,2|C<4>,2|H<1>}	I(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]I)	107.4500	0.648	2	107.4500	0.420	2	107.6568	0.336	5	107.0037	3.979	15	107.0037	3.979	15	106.9891	6.480	24
474	944	951	0:SP3_SP-NON_SP-NON	C[5]	I	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:I-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)(I)	I(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]I)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)(I){2|C<4>,5|H<1>}	I(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]I)	104.2228	0.861	4	104.2228	0.741	4	104.2228	0.741	4	107.0037	3.979	15	107.0037	3.979	15	106.9891	6.480	24
474	944	951	0:SP3_SP-NON_SP-NON	C[5]	I	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:I-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)(I)	I(C[5]C[5]2H)	H(C[5]C[5]2I)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)(I){2|C<3>}	I(C[5]C[5]2H)	H(C[5]C[5]2I)	106.0920	0.000	1	106.0920	0.000	1	108.3135	1.754	6	107.0037	3.979	15	107.0037	3.979	15	106.9891	6.480	24
474	944	951	0:SP3_SP-NON_SP-NON	C[5]	I	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:I-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)(I)	I(C[5]C[5]2H)	H(C[5]C[5]2I)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)(I){1|C<3>,1|C<4>,1|H<1>}	I(C[5]C[5]2H)	H(C[5]C[5]2I)	109.3070	0.000	1	109.3070	0.000	1	108.3135	1.754	6	107.0037	3.979	15	107.0037	3.979	15	106.9891	6.480	24
474	944	951	0:SP3_SP-NON_SP-NON	C[5]	I	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:I-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)(I)	I(C[5]C[5]2H)	H(C[5]C[5]2I)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)(I){1|H<1>,1|N<3>}	I(C[5]C[5]2H)	H(C[5]C[5]2I)	109.7540	0.000	1	109.7540	0.000	1	108.3135	1.754	6	107.0037	3.979	15	107.0037	3.979	15	106.9891	6.480	24
474	944	951	0:SP3_SP-NON_SP-NON	C[5]	I	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:I-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)(I)	I(C[5]C[5]2H)	H(C[5]C[5]2I)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)(I){1|C<4>,1|H<1>}	I(C[5]C[5]2H)	H(C[5]C[5]2I)	108.4210	0.000	1	108.5855	0.054	2	108.3135	1.754	6	107.0037	3.979	15	107.0037	3.979	15	106.9891	6.480	24
474	944	951	0:SP3_SP-NON_SP-NON	C[5]	I	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:I-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)(I)	I(C[5]C[5]2H)	H(C[5]C[5]2I)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)(I){1|C<4>,1|O<2>}	I(C[5]C[5]2H)	H(C[5]C[5]2I)	108.7500	0.000	1	108.5855	0.054	2	108.3135	1.754	6	107.0037	3.979	15	107.0037	3.979	15	106.9891	6.480	24
474	944	951	0:SP3_SP-NON_SP-NON	C[5]	I	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:I-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(H)(I)	I(C[5]C[5]2H)	H(C[5]C[5]2I)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(H)(I){2|C<3>,2|H<1>}	I(C[5]C[5]2H)	H(C[5]C[5]2I)	107.5570	0.000	1	107.5570	0.000	1	108.3135	1.754	6	107.0037	3.979	15	107.0037	3.979	15	106.9891	6.480	24
474	945	945	0:SP3_SP3_SP3	C[5]	P	P	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:P-3:P-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(PC[6a]2)2	P(C[5]C[5,6a]2P)(C[6a]C[6a]2)2	P(C[5]C[5,6a]2P)(C[6a]C[6a]2)2	C[5](C[5,6a]C[5,6a]C[6a])2(PC[6a]2)2{2|H<1>,4|C<3>}	P(C[5]C[5,6a]2P)(C[6a]C[6a]2)2	P(C[5]C[5,6a]2P)(C[6a]C[6a]2)2	116.0480	0.000	1	116.0480	0.000	1	116.0480	0.000	1	116.0480	0.000	1	116.0480	0.000	1	116.0480	0.000	1
474	945	951	0:SP3_SP-NON_SP3	C[5,6]	P	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,6]-4:P-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BH)(PC[6a]2)(H)	P(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)2	H(C[5,6]C[5,5,6]C[5,6]P)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BH)(PC[6a]2)(H){1|C<4>,5|H<1>}	P(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)2	H(C[5,6]C[5,5,6]C[5,6]P)	107.8795	4.011	2	107.8795	16.091	2	110.0073	5.148	7	110.0073	5.148	7	110.0073	5.148	7	109.2257	6.675	23
474	945	951	0:SP3_SP-NON_SP3	C[5,6]	P	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,6]-4:P-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]HH)(PC[6a]2)(H)	P(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)2	H(C[5,6]C[5,5,6]C[5,6]P)	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]HH)(PC[6a]2)(H){1|H<1>,3|C<3>}	P(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)2	H(C[5,6]C[5,5,6]C[5,6]P)	110.1260	0.320	2	110.1260	0.102	2	110.0073	5.148	7	110.0073	5.148	7	110.0073	5.148	7	109.2257	6.675	23
474	945	951	0:SP3_SP-NON_SP3	C[5,6]	P	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,6]-4:P-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HH)(PC[6a]2)(H)	P(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)2	H(C[5,6]C[5,5,6]C[5,6]P)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HH)(PC[6a]2)(H){1|H<1>,2|C<3>}	P(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)2	H(C[5,6]C[5,5,6]C[5,6]P)	111.3467	0.341	3	111.3467	0.116	3	110.0073	5.148	7	110.0073	5.148	7	110.0073	5.148	7	109.2257	6.675	23
474	945	951	0:SP3_SP-NON_SP3	C[5]	P	H	3:3:3:1:	4:1:1:	4:	N[5]-3:N[5]-3:P-3:H-1:	C[5]-4:H-1:H-1:	C[5]-4:	C[5](N[5]C[6a]C[5])2(PHH)(H)	P(C[5]N[5]2H)(H)2	H(C[5]N[5]2P)	C[5](N[5]C[6a]C[5])2(PHH)(H){4|C<3>,4|H<1>}	P(C[5]N[5]2H)(H)2	H(C[5]N[5]2P)	111.3190	0.000	1	111.3190	0.000	1	111.3190	0.000	1	111.3190	0.000	1	108.8838	7.322	16	109.2257	6.675	23
474	945	951	0:SP3_SP-NON_SP3	C[5]	P	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,6a]-3:P-3:H-1:	C[5]-4:C[5]-3:N-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(PC[5]N)(H)	P(C[5]C[5,6a]2H)(C[5]C[5]N[5])(NCC)	H(C[5]C[5,6a]2P)	C[5](C[5,6a]C[5,6a]C[6a])2(PC[5]N)(H){2|H<1>,4|C<3>}	P(C[5]C[5,6a]2H)(C[5]C[5]N[5])(NCC)	H(C[5]C[5,6a]2P)	111.5380	0.000	1	111.5380	0.000	1	111.5380	0.000	1	111.5380	0.000	1	108.8838	7.322	16	109.2257	6.675	23
474	945	951	0:SP3_SP-NON_SP3	C[5]	P	H	3:3:3:1:	4:4:4:	4:	C[5,6a]-3:C[5]-3:P-3:H-1:	C[5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[5]2)(H)	P(C[5]C[5,6a]C[5]H)3	H(C[5]C[5,6a]C[5]P)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[5]2)(H){2|C<3>,2|H<1>}	P(C[5]C[5,6a]C[5]H)3	H(C[5]C[5,6a]C[5]P)	109.3340	2.350	3	109.3340	5.525	3	109.3340	5.525	3	109.3340	5.525	3	108.8838	7.322	16	109.2257	6.675	23
474	945	951	0:SP3_SP-NON_SP3	C[5]	P	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5]-4:P-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]HH)(PC[6a]2)(H)	P(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)2	H(C[5]C[5,6a]C[5]P)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]HH)(PC[6a]2)(H){1|H<1>,2|B<5>,2|C<3>}	P(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)2	H(C[5]C[5,6a]C[5]P)	110.1640	0.000	1	110.1640	0.000	1	110.1640	0.000	1	109.3175	1.433	2	108.8838	7.322	16	109.2257	6.675	23
474	945	951	0:SP3_SP-NON_SP3	C[5]	P	H	3:4:3:1:	4:3:3:	4:	N[5]-3:C[5]-4:P-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(PC[6a]2)(H)	P(C[5]C[5]N[5]H)(C[6a]C[6a]2)2	H(C[5]C[5]N[5]P)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(PC[6a]2)(H){2|C<3>,2|C<4>,2|H<1>}	P(C[5]C[5]N[5]H)(C[6a]C[6a]2)2	H(C[5]C[5]N[5]P)	108.4710	0.000	1	108.4710	0.000	1	108.4710	0.000	1	109.3175	1.433	2	108.8838	7.322	16	109.2257	6.675	23
474	945	951	0:SP3_SP-NON_SP3	C[5]	P	H	3:4:3:1:	4:3:4:	4:	C[5,6]-3:C[5]-4:P-3:H-1:	C[5]-4:C[6a]-3:C-4:	C[5]-4:	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(PC[6a]C)(H)	P(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CCHH)	H(C[5]C[5,6]C[5]P)	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(PC[6a]C)(H){2|C<4>,3|H<1>}	P(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CCHH)	H(C[5]C[5,6]C[5]P)	112.1050	0.000	1	112.1050	0.000	1	112.1050	0.000	1	112.1050	0.000	1	108.8838	7.322	16	109.2257	6.675	23
474	945	951	0:SP3_SP-NON_SP3	C[5]	P	H	4:3:3:1:	3:4:4:	4:	C[5]-4:P-3:C[5]-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(PC[6a]C[5])(C[5]C[5]N)(H)	P(C[6a]C[6a]2)(C[5]C[5]2H)2	H(C[5]C[5]2P)	C[5](C[5]C[5]HH)(PC[6a]C[5])(C[5]C[5]N)(H){4|H<1>}	P(C[6a]C[6a]2)(C[5]C[5]2H)2	H(C[5]C[5]2P)	106.9110	5.187	2	106.9110	26.908	2	106.9110	26.908	2	106.9110	26.908	2	108.8838	7.322	16	109.2257	6.675	23
474	945	951	0:SP3_SP-NON_SP3	C[5]	P	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:N[5]-3:P-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(PC[6a]2)(H)	P(C[5]C[5,6]N[5]H)(C[6a]C[6a]2)2	H(C[5]C[5,6]N[5]P)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(PC[6a]2)(H){2|C<3>,5|C<4>,5|H<1>}	P(C[5]C[5,6]N[5]H)(C[6a]C[6a]2)2	H(C[5]C[5,6]N[5]P)	104.5705	0.011	2	104.5705	0.000	2	104.5705	0.000	2	104.5705	0.000	2	108.8838	7.322	16	109.2257	6.675	23
474	945	951	0:SP3_SP-NON_SP3	C[5]	P	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5]-4:P-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(PC[6a]2)(H)	P(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)2	H(C[5]C[5,5]C[5]P)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(PC[6a]2)(H){1|H<1>,2|C<4>}	P(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)2	H(C[5]C[5,5]C[5]P)	109.3948	0.142	4	109.3948	0.020	4	109.3948	0.020	4	109.3948	0.020	4	108.8838	7.322	16	109.2257	6.675	23
474	951	951	0:SP3_SP-NON_SP-NON	C[3x5]	H	H	4:4:1:1:	4:	4:	C[4,3x5]-4:C[4,3x5]-4:H-1:H-1:	C[3x5]-4:	C[3x5]-4:	C[3x5](C[4,3x5]C[4,4,5,5]C[4,5]H)2(H)2	H(C[3x5]C[4,3x5]2H)	H(C[3x5]C[4,3x5]2H)	C[3x5](C[4,3x5]C[4,4,5,5]C[4,5]H)2(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[3x5]C[4,3x5]2H)	H(C[3x5]C[4,3x5]2H)	110.1210	0.000	1	110.1210	0.000	1	110.1210	0.000	1	110.1210	0.000	1	110.1210	0.000	1	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5,6]	H	H	4:4:1:1:	4:	4:	C[3x5,3x6]-4:C[3x5,6,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6]-4:	C[5,5,6](C[3x5,3x6]C[3x5,3x6]C[3x5,6,6]H)(C[3x5,6,6]C[4x5,6,6]C[5,5,6]H)(H)2	H(C[5,5,6]C[3x5,3x6]C[3x5,6,6]H)	H(C[5,5,6]C[3x5,3x6]C[3x5,6,6]H)	C[5,5,6](C[3x5,3x6]C[3x5,3x6]C[3x5,6,6]H)(C[3x5,6,6]C[4x5,6,6]C[5,5,6]H)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5,5,6]C[3x5,3x6]C[3x5,6,6]H)	H(C[5,5,6]C[3x5,3x6]C[3x5,6,6]H)	110.4940	0.000	1	110.4940	0.000	1	110.4940	0.000	1	113.7526	7.695	5	113.7526	7.695	5	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5,6]	H	H	4:4:1:1:	4:	4:	C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6]-4:	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C)2(H)2	H(C[5,5,6]C[3x5,6,6]2H)	H(C[5,5,6]C[3x5,6,6]2H)	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C)2(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5,5,6]C[3x5,6,6]2H)	H(C[5,5,6]C[3x5,6,6]2H)	114.9980	2.314	2	114.9980	5.353	2	114.9980	5.353	2	113.7526	7.695	5	113.7526	7.695	5	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5,6]	H	H	4:4:1:1:	4:	4:	C[4,5,5,6,6]-4:C[3x5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6]-4:	C[5,5,6](C[4,5,5,6,6]C[4,5,5,6,6]C[4,5,6]C[6])(C[3x5,6]C[4,3x5,6]O[5,6]H)(H)2	H(C[5,5,6]C[4,5,5,6,6]C[3x5,6]H)	H(C[5,5,6]C[4,5,5,6,6]C[3x5,6]H)	C[5,5,6](C[4,5,5,6,6]C[4,5,5,6,6]C[4,5,6]C[6])(C[3x5,6]C[4,3x5,6]O[5,6]H)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	H(C[5,5,6]C[4,5,5,6,6]C[3x5,6]H)	H(C[5,5,6]C[4,5,5,6,6]C[3x5,6]H)	111.7480	0.000	1	111.7480	0.000	1	111.7480	0.000	1	113.7526	7.695	5	113.7526	7.695	5	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5,6]	H	H	4:4:1:1:	4:	4:	C[4,5,5,6]-4:C[3x5,6]-4:H-1:H-1:	C[5,5,6]-4:	C[5,5,6]-4:	C[5,5,6](C[4,5,5,6]C[4,5,5,6,6]C[4,5]H)(C[3x5,6]C[4,3x5,6]O[5,6]H)(H)2	H(C[5,5,6]C[4,5,5,6]C[3x5,6]H)	H(C[5,5,6]C[4,5,5,6]C[3x5,6]H)	C[5,5,6](C[4,5,5,6]C[4,5,5,6,6]C[4,5]H)(C[3x5,6]C[4,3x5,6]O[5,6]H)(H)2{2|C<3>,2|C<4>}	H(C[5,5,6]C[4,5,5,6]C[3x5,6]H)	H(C[5,5,6]C[4,5,5,6]C[3x5,6]H)	116.5250	0.000	1	116.5250	0.000	1	116.5250	0.000	1	113.7526	7.695	5	113.7526	7.695	5	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	3:4:1:1:	4:	4:	N[5,5,6]-3:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](N[5,5,6]C[5,6]S[5,6])(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5]C[5,5,6]N[5,5,6]H)	H(C[5,5]C[5,5,6]N[5,5,6]H)	C[5,5](N[5,5,6]C[5,6]S[5,6])(C[5,5,6]C[5,6]2H)(H)2{2|O<1>,6|H<1>}	H(C[5,5]C[5,5,6]N[5,5,6]H)	H(C[5,5]C[5,5,6]N[5,5,6]H)	109.7450	0.000	1	109.7450	0.000	1	109.7450	0.000	1	108.7145	2.124	2	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	3:4:1:1:	4:	4:	S[3,5,5]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](S[3,5,5]Nb[8x3,5]2)(C[5,5]S[3,5,5]HH)(H)2	H(C[5,5]S[3,5,5]C[5,5]H)	H(C[5,5]S[3,5,5]C[5,5]H)	C[5,5](S[3,5,5]Nb[8x3,5]2)(C[5,5]S[3,5,5]HH)(H)2{10|C<4>,4|Cl<1>,1|O<2>}	H(C[5,5]S[3,5,5]C[5,5]H)	H(C[5,5]S[3,5,5]C[5,5]H)	107.6840	0.000	1	107.6840	0.000	1	107.6840	0.000	1	108.7145	2.124	2	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:3:1:1:	4:	4:	C[4,5,5]-4:N[5,5]-3:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[4,5,5]C[4,5]2C)(N[5,5]C[4,5,5]C)(H)2	H(C[5,5]C[4,5,5]N[5,5]H)	H(C[5,5]C[4,5,5]N[5,5]H)	C[5,5](C[4,5,5]C[4,5]2C)(N[5,5]C[4,5,5]C)(H)2{1|C<3>,4|H<1>}	H(C[5,5]C[4,5,5]N[5,5]H)	H(C[5,5]C[4,5,5]N[5,5]H)	109.6020	0.000	1	109.6020	0.000	1	109.8873	0.020	14	109.9879	0.222	17	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:3:1:1:	4:	4:	C[4,5,5]-4:N[5,5]-3:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[4,5,5]C[4,5]2F)(N[5,5]C[4,5,5]C)(H)2	H(C[5,5]C[4,5,5]N[5,5]H)	H(C[5,5]C[4,5,5]N[5,5]H)	C[5,5](C[4,5,5]C[4,5]2F)(N[5,5]C[4,5,5]C)(H)2{1|C<3>,4|H<1>}	H(C[5,5]C[4,5,5]N[5,5]H)	H(C[5,5]C[4,5,5]N[5,5]H)	110.0620	0.000	1	110.0620	0.000	1	109.8873	0.020	14	109.9879	0.222	17	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:3:1:1:	4:	4:	C[4,5,5]-4:N[5,5]-3:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]C)(H)2	H(C[5,5]C[4,5,5]N[5,5]H)	H(C[5,5]C[4,5,5]N[5,5]H)	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]C)(H)2{1|C<3>,4|H<1>}	H(C[5,5]C[4,5,5]N[5,5]H)	H(C[5,5]C[4,5,5]N[5,5]H)	109.9552	0.112	6	109.8965	0.014	12	109.8873	0.020	14	109.9879	0.222	17	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:3:1:1:	4:	4:	C[4,5,5]-4:N[5,5]-3:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]C)(H)2	H(C[5,5]C[4,5,5]N[5,5]H)	H(C[5,5]C[4,5,5]N[5,5]H)	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]C)(H)2{1|N<3>,4|H<1>}	H(C[5,5]C[4,5,5]N[5,5]H)	H(C[5,5]C[4,5,5]N[5,5]H)	109.8724	0.050	5	109.8965	0.014	12	109.8873	0.020	14	109.9879	0.222	17	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:3:1:1:	4:	4:	C[4,5,5]-4:N[5,5]-3:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]C)(H)2	H(C[5,5]C[4,5,5]N[5,5]H)	H(C[5,5]C[4,5,5]N[5,5]H)	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]C)(H)2{2|Br<1>,3|H<1>}	H(C[5,5]C[4,5,5]N[5,5]H)	H(C[5,5]C[4,5,5]N[5,5]H)	109.6650	0.000	1	109.8965	0.014	12	109.8873	0.020	14	109.9879	0.222	17	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-3:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)(C[5,5,6]C[5,6]2)(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)(C[5,5,6]C[5,6]2)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	111.7440	0.000	1	111.7440	0.000	1	111.7440	0.000	1	109.9879	0.222	17	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:P[5,5,6]-3:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2C)(P[5,5,6]C[5,6]2)(H)2	H(C[5,5]C[5,5,6]P[5,5,6]H)	H(C[5,5]C[5,5,6]P[5,5,6]H)	C[5,5](C[5,5,6]C[5,6]2C)(P[5,5,6]C[5,6]2)(H)2{2|C<3>,2|C<4>}	H(C[5,5]C[5,5,6]P[5,5,6]H)	H(C[5,5]C[5,5,6]P[5,5,6]H)	109.8145	0.052	2	109.8145	0.003	2	109.8145	0.003	2	109.9879	0.222	17	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[3,5,5]-4:C[3,5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[3,5,5]C[3,4,5]2H)2(H)2	H(C[5,5]C[3,5,5]2H)	H(C[5,5]C[3,5,5]2H)	C[5,5](C[3,5,5]C[3,4,5]2H)2(H)2{1|C<3>,3|H<1>}	H(C[5,5]C[3,5,5]2H)	H(C[5,5]C[3,5,5]2H)	107.0010	0.000	1	107.0010	0.000	1	107.0010	0.000	1	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[3,5,5]-4:C[3x5]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[3,5,5]B[5x3,5x5,20x6]C[3,5,5]2)(C[3x5]C[5,5]2H)(H)2	H(C[5,5]C[3,5,5]C[3x5]H)	H(C[5,5]C[3,5,5]C[3x5]H)	C[5,5](C[3,5,5]B[5x3,5x5,20x6]C[3,5,5]2)(C[3x5]C[5,5]2H)(H)2{1|C<3>,1|O<2>,2|C<6>,3|B<6>,4|H<1>}	H(C[5,5]C[3,5,5]C[3x5]H)	H(C[5,5]C[3,5,5]C[3x5]H)	109.7200	0.000	1	109.7200	0.000	1	109.5569	8.051	10	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[3,5,5]-4:C[3x5]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[3,5,5]C[3,5,5]2C)(C[3x5]C[5,5]2H)(H)2	H(C[5,5]C[3,5,5]C[3x5]H)	H(C[5,5]C[3,5,5]C[3x5]H)	C[5,5](C[3,5,5]C[3,5,5]2C)(C[3x5]C[5,5]2H)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,5]C[3,5,5]C[3x5]H)	H(C[5,5]C[3,5,5]C[3x5]H)	109.8990	0.000	1	109.8990	0.000	1	109.5569	8.051	10	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[3,5,5]-4:C[3x5]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(H)2	H(C[5,5]C[3,5,5]C[3x5]H)	H(C[5,5]C[3,5,5]C[3x5]H)	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,5]C[3,5,5]C[3x5]H)	H(C[5,5]C[3,5,5]C[3x5]H)	109.9370	0.000	1	109.4938	10.326	8	109.5569	8.051	10	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[3,5,5]-4:C[3x5]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(H)2	H(C[5,5]C[3,5,5]C[3x5]H)	H(C[5,5]C[3,5,5]C[3x5]H)	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(H)2{1|N<4>,2|C<3>,3|H<1>}	H(C[5,5]C[3,5,5]C[3x5]H)	H(C[5,5]C[3,5,5]C[3x5]H)	109.8940	0.000	1	109.4938	10.326	8	109.5569	8.051	10	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[3,5,5]-4:C[3x5]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(H)2	H(C[5,5]C[3,5,5]C[3x5]H)	H(C[5,5]C[3,5,5]C[3x5]H)	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(H)2{1|Rh<5>,4|H<1>}	H(C[5,5]C[3,5,5]C[3x5]H)	H(C[5,5]C[3,5,5]C[3x5]H)	108.2470	8.251	2	109.4938	10.326	8	109.5569	8.051	10	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[3,5,5]-4:C[3x5]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(H)2	H(C[5,5]C[3,5,5]C[3x5]H)	H(C[5,5]C[3,5,5]C[3x5]H)	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(H)2{1|Rh<6>,5|H<1>}	H(C[5,5]C[3,5,5]C[3x5]H)	H(C[5,5]C[3,5,5]C[3x5]H)	109.9062	0.145	4	109.4938	10.326	8	109.5569	8.051	10	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[3,5,5]-4:C[4x5]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[3,5,5]C[3,5,5,6]2H)(C[4x5]C[3x5,6]2H)(H)2	H(C[5,5]C[3,5,5]C[4x5]H)	H(C[5,5]C[3,5,5]C[4x5]H)	C[5,5](C[3,5,5]C[3,5,5,6]2H)(C[4x5]C[3x5,6]2H)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5]C[3,5,5]C[4x5]H)	H(C[5,5]C[3,5,5]C[4x5]H)	110.0120	0.000	1	109.8143	0.030	4	109.8143	0.030	4	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[3,5,5]-4:C[4x5]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[3,5,5]C[3,5,5,6]2H)(C[4x5]C[3x5,6]2H)(H)2	H(C[5,5]C[3,5,5]C[4x5]H)	H(C[5,5]C[3,5,5]C[4x5]H)	C[5,5](C[3,5,5]C[3,5,5,6]2H)(C[4x5]C[3x5,6]2H)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[3,5,5]C[4x5]H)	H(C[5,5]C[3,5,5]C[4x5]H)	109.9050	0.000	1	109.8143	0.030	4	109.8143	0.030	4	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[3,5,5]-4:C[4x5]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[3,5,5]C[3,5,5,6]2H)(C[4x5]C[3x5,6]2H)(H)2	H(C[5,5]C[3,5,5]C[4x5]H)	H(C[5,5]C[3,5,5]C[4x5]H)	C[5,5](C[3,5,5]C[3,5,5,6]2H)(C[4x5]C[3x5,6]2H)(H)2{2|C<6>,4|H<1>}	H(C[5,5]C[3,5,5]C[4x5]H)	H(C[5,5]C[3,5,5]C[4x5]H)	109.6700	0.000	2	109.8143	0.030	4	109.8143	0.030	4	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,6])(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)(H)2	H(C[5,5]C[3x5,6,6]2H)	H(C[5,5]C[3x5,6,6]2H)	C[5,5](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,6])(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)(H)2{5|H<1>,6|C<4>}	H(C[5,5]C[3x5,6,6]2H)	H(C[5,5]C[3x5,6,6]2H)	111.9830	0.000	1	111.9830	0.000	1	109.6840	3.387	4	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)2(H)2	H(C[5,5]C[3x5,6,6]2H)	H(C[5,5]C[3x5,6,6]2H)	C[5,5](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)2(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[5,5]C[3x5,6,6]2H)	H(C[5,5]C[3x5,6,6]2H)	110.2850	0.000	1	108.9177	1.557	3	109.6840	3.387	4	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)2(H)2	H(C[5,5]C[3x5,6,6]2H)	H(C[5,5]C[3x5,6,6]2H)	C[5,5](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)2(H)2{3|H<1>,5|C<4>}	H(C[5,5]C[3x5,6,6]2H)	H(C[5,5]C[3x5,6,6]2H)	107.8410	0.000	1	108.9177	1.557	3	109.6840	3.387	4	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)2(H)2	H(C[5,5]C[3x5,6,6]2H)	H(C[5,5]C[3x5,6,6]2H)	C[5,5](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)2(H)2{4|C<4>,4|H<1>}	H(C[5,5]C[3x5,6,6]2H)	H(C[5,5]C[3x5,6,6]2H)	108.6270	0.000	1	108.9177	1.557	3	109.6840	3.387	4	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:C[3x5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[3x5,6]C[3,5,5,6]2H)2(H)2	H(C[5,5]C[3x5,6]2H)	H(C[5,5]C[3x5,6]2H)	C[5,5](C[3x5,6]C[3,5,5,6]2H)2(H)2{2|C<4>,4|H<1>}	H(C[5,5]C[3x5,6]2H)	H(C[5,5]C[3x5,6]2H)	110.5332	0.521	5	110.5332	0.271	5	110.2353	0.053	35	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:C[3x5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[3x5,6]C[3x5,6,6]C[4,5,5,6]H)2(H)2	H(C[5,5]C[3x5,6]2H)	H(C[5,5]C[3x5,6]2H)	C[5,5](C[3x5,6]C[3x5,6,6]C[4,5,5,6]H)2(H)2{4|C<4>,4|H<1>}	H(C[5,5]C[3x5,6]2H)	H(C[5,5]C[3x5,6]2H)	110.1660	0.039	3	110.1660	0.002	3	110.2353	0.053	35	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:C[3x5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,3x6]H)2(H)2	H(C[5,5]C[3x5,6]2H)	H(C[5,5]C[3x5,6]2H)	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,3x6]H)2(H)2{4|C<4>,4|H<1>}	H(C[5,5]C[3x5,6]2H)	H(C[5,5]C[3x5,6]2H)	110.1975	0.052	2	110.1975	0.003	2	110.2353	0.053	35	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:C[3x5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2	H(C[5,5]C[3x5,6]2H)	H(C[5,5]C[3x5,6]2H)	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,5]C[3x5,6]2H)	H(C[5,5]C[3x5,6]2H)	110.1717	0.010	3	110.1871	0.008	25	110.2353	0.053	35	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:C[3x5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2	H(C[5,5]C[3x5,6]2H)	H(C[5,5]C[3x5,6]2H)	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[5,5]C[3x5,6]2H)	H(C[5,5]C[3x5,6]2H)	110.2007	0.025	4	110.1871	0.008	25	110.2353	0.053	35	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:C[3x5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2	H(C[5,5]C[3x5,6]2H)	H(C[5,5]C[3x5,6]2H)	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5,5]C[3x5,6]2H)	H(C[5,5]C[3x5,6]2H)	110.1489	0.052	10	110.1871	0.008	25	110.2353	0.053	35	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:C[3x5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2	H(C[5,5]C[3x5,6]2H)	H(C[5,5]C[3x5,6]2H)	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(H)2{4|C<4>,4|H<1>}	H(C[5,5]C[3x5,6]2H)	H(C[5,5]C[3x5,6]2H)	110.2338	0.140	8	110.1871	0.008	25	110.2353	0.053	35	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[3x5,6]B[4x3,4,6x5,21x6]C[5,5,6]C[5,6])(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5]C[3x5,6]C[5,5,6]H)	H(C[5,5]C[3x5,6]C[5,5,6]H)	C[5,5](C[3x5,6]B[4x3,4,6x5,21x6]C[5,5,6]C[5,6])(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,1|S<2>,2|C<5>,3|B<6>,4|H<1>}	H(C[5,5]C[3x5,6]C[5,5,6]H)	H(C[5,5]C[3x5,6]C[5,5,6]H)	110.2750	0.048	3	110.2707	0.002	4	110.1341	0.643	27	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[3x5,6]B[4x3,4,6x5,21x6]C[5,5,6]C[5,6])(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5]C[3x5,6]C[5,5,6]H)	H(C[5,5]C[3x5,6]C[5,5,6]H)	C[5,5](C[3x5,6]B[4x3,4,6x5,21x6]C[5,5,6]C[5,6])(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,1|S<3>,2|C<5>,3|B<6>,4|H<1>}	H(C[5,5]C[3x5,6]C[5,5,6]H)	H(C[5,5]C[3x5,6]C[5,5,6]H)	110.2580	0.000	1	110.2707	0.002	4	110.1341	0.643	27	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[3x5,6]B[5x3,6x5,20x6]C[5,5,6]C[5,6])(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5]C[3x5,6]C[5,5,6]H)	H(C[5,5]C[3x5,6]C[5,5,6]H)	C[5,5](C[3x5,6]B[5x3,6x5,20x6]C[5,5,6]C[5,6])(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,1|S<2>,2|C<6>,3|B<6>,4|H<1>}	H(C[5,5]C[3x5,6]C[5,5,6]H)	H(C[5,5]C[3x5,6]C[5,5,6]H)	110.3875	0.128	2	110.3137	0.008	6	110.1341	0.643	27	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[3x5,6]B[5x3,6x5,20x6]C[5,5,6]C[5,6])(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5]C[3x5,6]C[5,5,6]H)	H(C[5,5]C[3x5,6]C[5,5,6]H)	C[5,5](C[3x5,6]B[5x3,6x5,20x6]C[5,5,6]C[5,6])(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,1|S<3>,2|C<6>,3|B<6>,4|H<1>}	H(C[5,5]C[3x5,6]C[5,5,6]H)	H(C[5,5]C[3x5,6]C[5,5,6]H)	110.2767	0.050	4	110.3137	0.008	6	110.1341	0.643	27	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	H(C[5,5]C[3x5,6]C[5,5,6]H)	H(C[5,5]C[3x5,6]C[5,5,6]H)	C[5,5](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{1|N<2>,2|C<4>,5|H<1>}	H(C[5,5]C[3x5,6]C[5,5,6]H)	H(C[5,5]C[3x5,6]C[5,5,6]H)	110.3630	0.000	1	110.3630	0.000	1	110.1341	0.643	27	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[3x5,6]C[3x5,6]C[5,5,6]O)(C[5,5,6]C[5,5,6]C[5,6]C)(H)2	H(C[5,5]C[3x5,6]C[5,5,6]H)	H(C[5,5]C[3x5,6]C[5,5,6]H)	C[5,5](C[3x5,6]C[3x5,6]C[5,5,6]O)(C[5,5,6]C[5,5,6]C[5,6]C)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[5,5]C[3x5,6]C[5,5,6]H)	H(C[5,5]C[3x5,6]C[5,5,6]H)	110.1800	0.000	1	110.1800	0.000	1	110.1341	0.643	27	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6]H)(C[5,5,6]C[4,5,6]C[5,6]H)(H)2	H(C[5,5]C[3x5,6]C[5,5,6]H)	H(C[5,5]C[3x5,6]C[5,5,6]H)	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6]H)(C[5,5,6]C[4,5,6]C[5,6]H)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,5]C[3x5,6]C[5,5,6]H)	H(C[5,5]C[3x5,6]C[5,5,6]H)	110.1560	0.000	1	110.1560	0.000	1	110.1341	0.643	27	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5,6]2C)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5]C[3x5,6]C[5,5,6]H)	H(C[5,5]C[3x5,6]C[5,5,6]H)	C[5,5](C[3x5,6]C[5,5,6]2C)(C[5,5,6]C[5,6]2H)(H)2{1|C<4>,2|C<3>,2|O<2>,3|H<1>}	H(C[5,5]C[3x5,6]C[5,5,6]H)	H(C[5,5]C[3x5,6]C[5,5,6]H)	110.1370	0.033	2	110.1370	0.001	2	110.1341	0.643	27	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5]C[3x5,6]C[5,5,6]H)	H(C[5,5]C[3x5,6]C[5,5,6]H)	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(H)2{1|Br<1>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5,5]C[3x5,6]C[5,5,6]H)	H(C[5,5]C[3x5,6]C[5,5,6]H)	106.8160	0.000	1	109.6771	1.611	7	110.1341	0.643	27	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5]C[3x5,6]C[5,5,6]H)	H(C[5,5]C[3x5,6]C[5,5,6]H)	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,1|N<3>,1|O<2>,5|H<1>}	H(C[5,5]C[3x5,6]C[5,5,6]H)	H(C[5,5]C[3x5,6]C[5,5,6]H)	110.2610	0.000	1	109.6771	1.611	7	110.1341	0.643	27	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5]C[3x5,6]C[5,5,6]H)	H(C[5,5]C[3x5,6]C[5,5,6]H)	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5,5]C[3x5,6]C[5,5,6]H)	H(C[5,5]C[3x5,6]C[5,5,6]H)	110.2220	0.000	1	109.6771	1.611	7	110.1341	0.643	27	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5]C[3x5,6]C[5,5,6]H)	H(C[5,5]C[3x5,6]C[5,5,6]H)	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(H)2{1|N<3>,1|O<2>,2|C<3>,4|H<1>}	H(C[5,5]C[3x5,6]C[5,5,6]H)	H(C[5,5]C[3x5,6]C[5,5,6]H)	109.9740	0.000	1	109.6771	1.611	7	110.1341	0.643	27	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5]C[3x5,6]C[5,5,6]H)	H(C[5,5]C[3x5,6]C[5,5,6]H)	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(H)2{1|N<3>,2|C<3>,5|H<1>}	H(C[5,5]C[3x5,6]C[5,5,6]H)	H(C[5,5]C[3x5,6]C[5,5,6]H)	109.9500	0.000	1	109.6771	1.611	7	110.1341	0.643	27	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5]C[3x5,6]C[5,5,6]H)	H(C[5,5]C[3x5,6]C[5,5,6]H)	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(H)2{1|Se<2>,1|C<3>,1|O<2>,5|H<1>}	H(C[5,5]C[3x5,6]C[5,5,6]H)	H(C[5,5]C[3x5,6]C[5,5,6]H)	110.2240	0.000	1	109.6771	1.611	7	110.1341	0.643	27	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5]C[3x5,6]C[5,5,6]H)	H(C[5,5]C[3x5,6]C[5,5,6]H)	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(H)2{2|C<3>,2|O<2>,4|H<1>}	H(C[5,5]C[3x5,6]C[5,5,6]H)	H(C[5,5]C[3x5,6]C[5,5,6]H)	110.2930	0.000	1	109.6771	1.611	7	110.1341	0.643	27	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[3,5,6]C[5,6]O)(H)2	H(C[5,5]C[3x5,6]C[5,5,6]H)	H(C[5,5]C[3x5,6]C[5,5,6]H)	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[3,5,6]C[5,6]O)(H)2{4|C<4>,5|H<1>}	H(C[5,5]C[3x5,6]C[5,5,6]H)	H(C[5,5]C[3x5,6]C[5,5,6]H)	110.8520	1.571	2	110.8520	2.469	2	110.1341	0.643	27	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	H(C[5,5]C[3x5,6]C[5,5,6]H)	H(C[5,5]C[3x5,6]C[5,5,6]H)	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{1|C<3>,2|C<4>,2|O<2>,6|H<1>}	H(C[5,5]C[3x5,6]C[5,5,6]H)	H(C[5,5]C[3x5,6]C[5,5,6]H)	109.0150	0.000	1	109.0150	0.000	1	110.1341	0.643	27	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5,6]N[5,5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(H)2	H(C[5,5]C[3x5,6]C[5,5,6]H)	H(C[5,5]C[3x5,6]C[5,5,6]H)	C[5,5](C[3x5,6]C[5,5,6]N[5,5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(H)2{2|C<4>,4|H<1>}	H(C[5,5]C[3x5,6]C[5,5,6]H)	H(C[5,5]C[3x5,6]C[5,5,6]H)	110.5280	0.000	1	110.5280	0.000	1	110.1341	0.643	27	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[3x5,6]N[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]N[5,6]H)(H)2	H(C[5,5]C[3x5,6]C[5,5,6]H)	H(C[5,5]C[3x5,6]C[5,5,6]H)	C[5,5](C[3x5,6]N[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]N[5,6]H)(H)2{1|C<3>,1|N<2>,2|C<4>,3|H<1>}	H(C[5,5]C[3x5,6]C[5,5,6]H)	H(C[5,5]C[3x5,6]C[5,5,6]H)	110.6960	0.000	1	110.6960	0.000	1	110.1341	0.643	27	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:P[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5,6]2C)(P[5,5,6]C[5,6]2S)(H)2	H(C[5,5]C[3x5,6]P[5,5,6]H)	H(C[5,5]C[3x5,6]P[5,5,6]H)	C[5,5](C[3x5,6]C[5,5,6]2C)(P[5,5,6]C[5,6]2S)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,5]C[3x5,6]P[5,5,6]H)	H(C[5,5]C[3x5,6]P[5,5,6]H)	109.7120	2.247	2	110.3761	3.886	7	110.3761	3.886	7	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:P[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5,6]2C)(P[5,5,6]C[5,6]2S)(H)2	H(C[5,5]C[3x5,6]P[5,5,6]H)	H(C[5,5]C[3x5,6]P[5,5,6]H)	C[5,5](C[3x5,6]C[5,5,6]2C)(P[5,5,6]C[5,6]2S)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[5,5]C[3x5,6]P[5,5,6]H)	H(C[5,5]C[3x5,6]P[5,5,6]H)	110.6418	2.063	5	110.3761	3.886	7	110.3761	3.886	7	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[3x5]-4:C[3,5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]O[5,5]H)(C[3,5,5]C[3,5,5]2H)(H)2	H(C[5,5]C[3,5,5]C[3x5]H)	H(C[5,5]C[3,5,5]C[3x5]H)	C[5,5](C[3x5]C[5,5]O[5,5]H)(C[3,5,5]C[3,5,5]2H)(H)2{1|C<3>,3|H<1>}	H(C[5,5]C[3,5,5]C[3x5]H)	H(C[5,5]C[3,5,5]C[3x5]H)	110.0780	0.000	1	110.0780	0.000	1	110.0780	0.000	1	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[4,5,5,6,6]-4:C[4,5,5,6,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[4,5,5,6,6]C[4,4,5,3x6]2H)(C[4,5,5,6,6]C[4,4,5,3x6]2O)(H)2	H(C[5,5]C[4,5,5,6,6]2H)	H(C[5,5]C[4,5,5,6,6]2H)	C[5,5](C[4,5,5,6,6]C[4,4,5,3x6]2H)(C[4,5,5,6,6]C[4,4,5,3x6]2O)(H)2{2|C<4>,4|H<1>}	H(C[5,5]C[4,5,5,6,6]2H)	H(C[5,5]C[4,5,5,6,6]2H)	110.1990	0.000	1	110.1990	0.000	1	110.1990	0.000	1	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[4,5,5,6]-4:C[5,5,6,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[4,5,5,6]C[4,5,5,6,6]C[4,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6,6]H)(H)2	H(C[5,5]C[4,5,5,6]C[5,5,6,6]H)	H(C[5,5]C[4,5,5,6]C[5,5,6,6]H)	C[5,5](C[4,5,5,6]C[4,5,5,6,6]C[4,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6,6]H)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5,5]C[4,5,5,6]C[5,5,6,6]H)	H(C[5,5]C[4,5,5,6]C[5,5,6,6]H)	110.1730	0.000	1	110.1730	0.000	1	109.7420	0.372	2	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[4,5,5,6]-4:C[5,5,6,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[4,5,5,6]P[4,5,6,6]2C[6a])(C[5,5,6,6]S[5,6,6]2C[6a])(H)2	H(C[5,5]C[4,5,5,6]C[5,5,6,6]H)	H(C[5,5]C[4,5,5,6]C[5,5,6,6]H)	C[5,5](C[4,5,5,6]P[4,5,6,6]2C[6a])(C[5,5,6,6]S[5,6,6]2C[6a])(H)2{1|S<2>,2|S<1>,4|C<3>}	H(C[5,5]C[4,5,5,6]C[5,5,6,6]H)	H(C[5,5]C[4,5,5,6]C[5,5,6,6]H)	109.3110	0.000	1	109.3110	0.000	1	109.7420	0.372	2	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[4,5,5,6]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[4,5,5,6]C[4,5,6]C[4,5]C[6])(C[5,5]C[4,5,5]HH)(H)2	H(C[5,5]C[4,5,5,6]C[5,5]H)	H(C[5,5]C[4,5,5,6]C[5,5]H)	C[5,5](C[4,5,5,6]C[4,5,6]C[4,5]C[6])(C[5,5]C[4,5,5]HH)(H)2{1|C<2>,1|O<1>,2|C<4>,3|H<1>}	H(C[5,5]C[4,5,5,6]C[5,5]H)	H(C[5,5]C[4,5,5,6]C[5,5]H)	109.7510	0.000	1	109.7510	0.000	1	109.7510	0.000	1	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[4,5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[4,5,5]C[4,5,6]C[4,5]H)(C[5,5]C[4,5,5,6]HH)(H)2	H(C[5,5]C[4,5,5]C[5,5]H)	H(C[5,5]C[4,5,5]C[5,5]H)	C[5,5](C[4,5,5]C[4,5,6]C[4,5]H)(C[5,5]C[4,5,5,6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,2|H<1>}	H(C[5,5]C[4,5,5]C[5,5]H)	H(C[5,5]C[4,5,5]C[5,5]H)	109.5840	0.000	1	109.5840	0.000	1	109.8646	0.414	5	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[4,5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[4,5,5]C[4,5,6]C[4,5]H)(C[5,5]C[4,5,5,6]HO)(H)2	H(C[5,5]C[4,5,5]C[5,5]H)	H(C[5,5]C[4,5,5]C[5,5]H)	C[5,5](C[4,5,5]C[4,5,6]C[4,5]H)(C[5,5]C[4,5,5,6]HO)(H)2{1|O<1>,3|C<4>}	H(C[5,5]C[4,5,5]C[5,5]H)	H(C[5,5]C[4,5,5]C[5,5]H)	110.9900	0.000	1	110.9900	0.000	1	109.8646	0.414	5	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[4,5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[4,5,5]C[4,5]2H)(C[5,5]C[4,5,5]CH)(H)2	H(C[5,5]C[4,5,5]C[5,5]H)	H(C[5,5]C[4,5,5]C[5,5]H)	C[5,5](C[4,5,5]C[4,5]2H)(C[5,5]C[4,5,5]CH)(H)2{1|O<2>,4|H<1>}	H(C[5,5]C[4,5,5]C[5,5]H)	H(C[5,5]C[4,5,5]C[5,5]H)	109.5790	0.000	1	109.5790	0.000	1	109.8646	0.414	5	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[4,5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[4,5,5]C[4,5]2H)(C[5,5]C[4,5,5]HH)(H)2	H(C[5,5]C[4,5,5]C[5,5]H)	H(C[5,5]C[4,5,5]C[5,5]H)	C[5,5](C[4,5,5]C[4,5]2H)(C[5,5]C[4,5,5]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5,5]C[4,5,5]C[5,5]H)	H(C[5,5]C[4,5,5]C[5,5]H)	109.5850	0.270	2	109.5850	0.073	2	109.8646	0.414	5	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[4,5,5]-4:N[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]HH)(H)2	H(C[5,5]C[4,5,5]N[5,5]H)	H(C[5,5]C[4,5,5]N[5,5]H)	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]HH)(H)2{1|C<2>,4|H<1>}	H(C[5,5]C[4,5,5]N[5,5]H)	H(C[5,5]C[4,5,5]N[5,5]H)	109.6930	0.000	1	109.7237	0.001	6	109.7237	0.001	6	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[4,5,5]-4:N[5,5]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]HH)(H)2	H(C[5,5]C[4,5,5]N[5,5]H)	H(C[5,5]C[4,5,5]N[5,5]H)	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]HH)(H)2{1|C<4>,4|H<1>}	H(C[5,5]C[4,5,5]N[5,5]H)	H(C[5,5]C[4,5,5]N[5,5]H)	109.7298	0.034	5	109.7237	0.001	6	109.7237	0.001	6	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6,6]N[5,6,6]S[5,6]C[6])(C[5,5,6,6]C[5,6,6]2O)(H)2	H(C[5,5]C[5,5,6,6]2H)	H(C[5,5]C[5,5,6,6]2H)	C[5,5](C[5,5,6,6]N[5,6,6]S[5,6]C[6])(C[5,5,6,6]C[5,6,6]2O)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5,6,6]2H)	H(C[5,5]C[5,5,6,6]2H)	110.2015	0.110	2	110.2015	0.012	2	110.2015	0.012	2	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6,6]C[5,6,6]2H)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	C[5,5](C[5,5,6,6]C[5,6,6]2H)(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	110.1525	0.018	2	110.1525	0.000	2	110.2403	0.359	14	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6,6]C[5,6,6]2O)(C[5,5,6]C[5,6]2C)(H)2	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	C[5,5](C[5,5,6,6]C[5,6,6]2O)(C[5,5,6]C[5,6]2C)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	110.2325	0.098	2	110.2008	0.004	5	110.2403	0.359	14	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6,6]C[5,6,6]2O)(C[5,5,6]C[5,6]2C)(H)2	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	C[5,5](C[5,5,6,6]C[5,6,6]2O)(C[5,5,6]C[5,6]2C)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	110.1797	0.043	3	110.2008	0.004	5	110.2403	0.359	14	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	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)(H)2	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	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)(H)2{1|C<3>,5|C<4>,5|H<1>}	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	110.2090	0.000	1	110.2548	0.001	4	110.2403	0.359	14	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	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)(H)2	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	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)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	110.2670	0.000	1	110.2548	0.001	4	110.2403	0.359	14	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	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)(H)2	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	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)(H)2{2|O<2>,4|C<4>,5|H<1>}	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	110.2715	0.008	2	110.2548	0.001	4	110.2403	0.359	14	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6,6]C[5,6,6]C[6,6]O[5,6])(C[5,5,6]C[5,6]2C)(H)2	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	C[5,5](C[5,5,6,6]C[5,6,6]C[6,6]O[5,6])(C[5,5,6]C[5,6]2C)(H)2{1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	111.9140	0.000	1	111.9140	0.000	1	110.2403	0.359	14	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6,6]C[5,6,6]C[6,6a]C[5,6])(C[5,5,6]C[5,6]2C)(H)2	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	C[5,5](C[5,5,6,6]C[5,6,6]C[6,6a]C[5,6])(C[5,5,6]C[5,6]2C)(H)2{1|C<2>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	110.2330	0.000	1	110.2330	0.000	1	110.2403	0.359	14	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[6])(C[5,5,6]C[5,6,6a]C[5,6]H)(H)2	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	C[5,5](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[6])(C[5,5,6]C[5,6,6a]C[5,6]H)(H)2{1|H<1>,5|C<3>}	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	108.8890	0.000	1	108.8890	0.000	1	110.2403	0.359	14	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5,6,6]C[5,6,6]2H)(H)2	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5,6,6]C[5,6,6]2H)(H)2{1|C<4>,1|N<3>,4|H<1>}	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	110.7750	0.000	1	110.6676	0.005	5	110.6676	0.005	5	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5,6,6]C[5,6,6]2H)(H)2	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5,6,6]C[5,6,6]2H)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	H(C[5,5]C[5,5,6,6]C[5,5,6]H)	110.6407	0.037	4	110.6676	0.005	5	110.6676	0.005	5	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]B[5x3,5x5,20x6]C[5,6]2)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]B[5x3,5x5,20x6]C[5,6]2)(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,2|C<6>,3|B<6>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.6230	0.000	1	110.6230	0.000	1	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[3,5,6]C[5,5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[3,5,6]C[5,5,6]H)2(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.2130	0.000	1	110.2655	0.006	2	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[3,5,6]C[5,5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[3,5,6]C[5,5,6]H)2(H)2{1|N<3>,2|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.3180	0.000	1	110.2655	0.006	2	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[3,5,6]C[5,6]C[6a])(C[5,5,6]C[3,5,6]C[5,6]H)(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[3,5,6]C[5,6]C[6a])(C[5,5,6]C[3,5,6]C[5,6]H)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.0944	0.090	5	110.0944	0.008	5	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)(C[5,5,6]C[3,5,6]N[5,6]H)(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)(C[5,5,6]C[3,5,6]N[5,6]H)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	114.2950	0.000	1	114.2950	0.000	1	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.3540	0.000	1	110.3033	0.005	3	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.3340	0.000	1	110.3033	0.005	3	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{1|O<1>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.2220	0.000	1	110.3033	0.005	3	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)2(H)2{1|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.4940	0.000	1	110.2980	0.026	7	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)2(H)2{1|C<4>,6|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.2247	0.022	3	110.2980	0.026	7	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)2(H)2{1|N<3>,6|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.1230	0.000	1	110.2980	0.026	7	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)2(H)2{1|P<4>,6|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.2380	0.000	1	110.2980	0.026	7	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)2(H)2{2|H<1>,3|C<4>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.5570	0.000	1	110.2980	0.026	7	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[3x5,6,6]C[5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[3x5,6,6]C[5,6]H)2(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.4100	0.000	1	110.4100	0.000	1	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.4150	0.000	1	110.6420	0.214	3	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	111.1740	0.000	1	110.6420	0.214	3	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.3370	0.000	1	110.6420	0.214	3	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[4,5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[4,5,6]2H)2(H)2{4|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.0810	0.000	1	110.0810	0.000	1	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[4,5,6]C[5,5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[4,5,6]C[5,5,6]H)2(H)2{2|C<4>,2|N<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	109.4895	0.032	2	109.7782	0.112	4	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[4,5,6]C[5,5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[4,5,6]C[5,5,6]H)2(H)2{4|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.0670	0.007	2	109.7782	0.112	4	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[4,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[4,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{1|O<1>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	113.3250	0.000	1	113.3250	0.000	1	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[4,5,6]C[5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[4,5,6]C[5,6]H)2(H)2{1|C<3>,1|N<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.3280	0.000	1	109.5890	4.715	11	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[4,5,6]C[5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[4,5,6]C[5,6]H)2(H)2{1|O<1>,2|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.1260	0.000	1	109.5890	4.715	11	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[4,5,6]C[5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[4,5,6]C[5,6]H)2(H)2{1|O<2>,2|C<3>,5|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.3100	0.000	1	109.5890	4.715	11	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[4,5,6]C[5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[4,5,6]C[5,6]H)2(H)2{2|C<3>,6|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.1940	0.049	5	109.5890	4.715	11	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[4,5,6]C[5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[4,5,6]C[5,6]H)2(H)2{2|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.3490	0.034	2	109.5890	4.715	11	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[4,5,6]C[5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[4,5,6]C[5,6]H)2(H)2{2|C<4>,6|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	103.0470	0.000	1	109.5890	4.715	11	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,3x6]C[5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,3x6]C[5,6]H)2(H)2{2|B<4>,6|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.2650	0.000	1	110.3070	0.006	4	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,3x6]C[5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,3x6]C[5,6]H)2(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.3530	0.098	2	110.3070	0.006	4	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,3x6]C[5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,3x6]C[5,6]H)2(H)2{2|C<4>,6|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.2570	0.000	1	110.3070	0.006	4	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,3x6]C[5,6,6a]C)(C[5,5,6]C[5,5,3x6]C[5,6,6a]H)(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,3x6]C[5,6,6a]C)(C[5,5,6]C[5,5,3x6]C[5,6,6a]H)(H)2{6|C<3>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.0645	0.145	2	110.0645	0.021	2	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6,6]C[5,5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6,6]C[5,5,6]H)2(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.2464	0.103	5	110.2294	0.007	10	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6,6]C[5,5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6,6]C[5,5,6]H)2(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.2124	0.066	5	110.2294	0.007	10	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6,6a]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6,6a]H)2(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	109.2640	0.000	1	109.2640	0.000	1	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	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]H)(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	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]H)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.4240	0.000	1	110.4240	0.000	1	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)2(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.3360	0.000	1	110.3669	0.127	11	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)2(H)2{2|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.1990	0.000	1	110.3669	0.127	11	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)2(H)2{2|C<4>,6|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.3890	0.393	9	110.3669	0.127	11	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]2H)2(H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.2050	0.000	1	110.2105	0.000	4	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]2H)2(H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.2240	0.000	1	110.2105	0.000	4	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]2H)2(H)2{2|Si<4>,2|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.1940	0.000	1	110.2105	0.000	4	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]2H)2(H)2{4|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.2190	0.000	1	110.2105	0.000	4	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	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)(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	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)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	109.0790	0.000	1	109.5545	0.452	2	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	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)(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	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)(H)2{2|Cl<1>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.0300	0.000	1	109.5545	0.452	2	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	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]O)(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	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]O)(H)2{2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.2860	0.000	1	110.2860	0.000	1	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.2818	0.088	5	110.2658	0.008	6	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.1860	0.000	1	110.2658	0.008	6	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{1|Cr<9>,1|C<4>,3|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	106.8060	0.000	1	106.8060	0.000	1	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C[6a])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C[6a])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{3|H<1>,5|C<3>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	109.8805	0.996	2	109.8805	0.993	2	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]N[5,6]H)(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]N[5,6]H)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.4200	0.000	1	110.4200	0.000	1	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C)(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.4550	0.000	1	110.4550	0.000	1	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{1|C<2>,1|O<1>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.2050	0.000	1	110.3423	0.009	10	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.4010	0.038	2	110.3423	0.009	10	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.4330	0.000	1	110.3423	0.009	10	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{1|Cl<1>,1|C<3>,1|N<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.4440	0.000	1	110.3423	0.009	10	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{1|Cl<1>,1|N<3>,1|O<2>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.3287	0.118	3	110.3423	0.009	10	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{2|C<3>,6|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.2765	0.012	2	110.3423	0.009	10	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|B<4>,1|P<4>,6|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.1650	0.000	1	110.2483	0.352	125	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.2584	0.385	20	110.2483	0.352	125	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|C<4>,6|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.1835	0.002	2	110.2483	0.352	125	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|N<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.4260	0.000	1	110.2483	0.352	125	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|N<3>,6|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.2358	0.069	5	110.2483	0.352	125	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,1|O<2>,6|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.2777	0.040	4	110.2483	0.352	125	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.3762	0.065	5	110.2483	0.352	125	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<3>,2|S<2>,5|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	112.0630	0.000	1	110.2483	0.352	125	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<4>,1|N<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	109.4885	0.066	2	110.2483	0.352	125	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<4>,1|N<3>,6|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.3175	0.042	2	110.2483	0.352	125	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.8603	0.741	3	110.2483	0.352	125	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|C<4>,2|O<2>,5|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	109.0230	0.000	1	110.2483	0.352	125	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|Cr<10>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.1550	0.000	1	110.2483	0.352	125	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|Fe<10>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.1220	0.000	1	110.2483	0.352	125	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|N<3>,1|P<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.2780	0.129	2	110.2483	0.352	125	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|Pd<5>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.3320	0.045	3	110.2483	0.352	125	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|Si<4>,2|C<3>,5|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	109.4675	0.006	2	110.2483	0.352	125	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{1|Ti<8>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.0300	0.363	4	110.2483	0.352	125	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{2|C<3>,2|O<2>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.1780	0.143	2	110.2483	0.352	125	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{2|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.4293	0.395	41	110.2483	0.352	125	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{2|C<3>,6|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	109.8246	1.178	15	110.2483	0.352	125	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{2|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.3407	0.045	4	110.2483	0.352	125	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{2|C<4>,6|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.3450	0.000	1	110.2483	0.352	125	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{2|N<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	109.3290	0.000	1	110.2483	0.352	125	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(H)2{2|O<2>,6|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.2100	0.000	1	110.2483	0.352	125	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]N[5,6]H)(C[5,5,6]C[5,5,6]O[5,6]H)(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]N[5,6]H)(C[5,5,6]C[5,5,6]O[5,6]H)(H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.5350	0.000	1	110.5580	0.001	2	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]N[5,6]H)(C[5,5,6]C[5,5,6]O[5,6]H)(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5,6]N[5,6]H)(C[5,5,6]C[5,5,6]O[5,6]H)(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.5810	0.000	1	110.5580	0.001	2	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5a,6]C[5,5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5a,6]C[5,5,6]H)2(H)2{2|H<1>,4|C<3>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.1210	0.000	1	110.1210	0.000	1	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5a,6]C[5,6]C[6a])(C[5,5,6]C[5,5a,6]C[5,6]H)(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,5a,6]C[5,6]C[6a])(C[5,5,6]C[5,5a,6]C[5,6]H)(H)2{3|H<1>,5|C<3>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.1020	0.000	1	110.1020	0.000	1	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	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)(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	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)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.2445	0.090	2	110.2445	0.008	2	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	108.0860	0.000	1	109.5373	1.595	3	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(H)2{2|C<4>,2|N<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.2630	0.173	2	109.5373	1.595	3	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.3220	0.000	1	110.3615	0.003	2	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.4010	0.000	1	110.3615	0.003	2	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,6]S[5,6]H)(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,6]S[5,6]H)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.0850	0.000	1	110.0850	0.000	1	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|B<4>,1|P<4>,6|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.2140	0.000	1	110.6290	1.559	47	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.3687	0.031	7	110.6290	1.559	47	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|C<3>,1|C<4>,6|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.3045	0.022	2	110.6290	1.559	47	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|C<3>,1|N<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.3410	0.021	5	110.6290	1.559	47	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|C<4>,1|N<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	112.2870	1.705	3	110.6290	1.559	47	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|C<4>,1|O<2>,6|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	109.4110	0.000	1	110.6290	1.559	47	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|C<4>,1|S<3>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.3210	0.000	1	110.6290	1.559	47	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|Cr<9>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	113.0140	0.000	1	110.6290	1.559	47	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|Cr<9>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	111.4150	0.614	2	110.6290	1.559	47	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|N<3>,1|O<2>,6|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.2740	0.000	1	110.6290	1.559	47	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|N<3>,1|P<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.3690	0.021	2	110.6290	1.559	47	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{1|S<2>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.3470	0.000	1	110.6290	1.559	47	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{2|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.7362	2.132	10	110.6290	1.559	47	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{2|C<3>,6|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.4050	0.000	1	110.6290	1.559	47	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{2|C<4>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.6000	0.000	1	110.6290	1.559	47	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{2|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.4023	0.855	7	110.6290	1.559	47	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(H)2{2|S<2>,6|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	109.4750	0.000	1	110.6290	1.559	47	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6a]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6a]2H)2(H)2{2|C<3>,2|N<2>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.2355	0.027	4	110.2527	0.002	6	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6a]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6a]2H)2(H)2{4|C<3>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.2870	0.064	2	110.2527	0.002	6	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6a]C[4,5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6a]C[4,5,6]H)2(H)2{2|H<1>,4|C<3>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.1070	0.000	1	110.1070	0.000	1	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,5,6]C[5,6,6a]C[5,6]Cl)(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,5,6]C[5,6,6a]C[5,6]Cl)(H)2{1|Cl<1>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.4000	0.000	1	110.4000	0.000	1	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)2(H)2{2|C<3>,2|H<1>,2|N<3>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.2540	0.000	1	110.2568	0.000	4	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)2(H)2{2|H<1>,4|C<3>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.2577	0.019	3	110.2568	0.000	4	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2{1|Pt<7>,1|O<3>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.3150	0.000	1	110.3473	1.624	29	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2{2|C<3>,2|H<1>,2|O<2>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.3880	0.000	1	110.3473	1.624	29	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2{2|C<3>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.6492	0.296	4	110.3473	1.624	29	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2{2|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.5686	0.702	21	110.3473	1.624	29	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2{2|C<4>,2|N<2>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.3110	0.000	1	110.3473	1.624	29	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2{3|Br<1>,1|H<1>,2|C<3>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	104.5210	0.000	1	110.3473	1.624	29	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.2199	0.180	20	110.2783	0.211	29	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	112.5110	0.000	1	110.2783	0.211	29	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,5|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.2430	0.000	1	110.2783	0.211	29	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.1495	0.009	2	110.2783	0.211	29	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(H)2{1|O<2>,2|C<4>,5|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.1240	0.137	5	110.2783	0.211	29	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2C)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2C)2(H)2{1|C<4>,1|O<2>,6|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.0290	0.000	1	110.0290	0.000	1	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2C[6a])(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2C[6a])(C[5,5,6]C[5,6]2H)(H)2{1|C<2>,2|H<1>,5|C<3>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.2640	0.000	1	110.2640	0.000	1	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2Cl)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2Cl)(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,7|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.4280	0.000	1	110.4280	0.000	1	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)(C[5,5,6]C[5,6]2O)(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)(C[5,5,6]C[5,6]2O)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.3587	0.024	3	110.3587	0.001	3	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Ag<6>,6|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.2620	0.000	1	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Au<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.3900	0.000	1	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|B<3>,1|P<3>,6|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.2950	0.000	1	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|B<4>,1|P<3>,6|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.1760	0.000	1	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|B<4>,1|P<4>,6|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.2540	0.000	1	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<2>,1|I<1>,6|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.3710	0.000	1	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<2>,1|O<2>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	126.3530	0.000	1	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<2>,1|S<3>,2|C<3>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.2610	0.000	1	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.3195	0.139	2	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	109.3307	0.625	4	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,1|N<2>,1|S<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.2740	0.000	1	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,1|N<3>,1|S<2>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.3950	0.000	1	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,1|N<3>,1|S<2>,5|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.3250	0.000	1	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,1|N<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	111.5780	1.732	2	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,1|N<4>,6|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.3150	0.000	1	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,1|O<2>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.3595	0.037	2	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,1|O<2>,6|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.2297	0.130	4	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,1|S<2>,6|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	107.7470	0.000	1	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,5|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	109.9031	0.499	11	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,7|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.1781	0.202	7	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<4>,1|N<4>,6|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	112.0680	0.000	1	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<4>,1|O<1>,5|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	112.4500	0.000	1	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.4870	0.317	9	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<4>,2|O<2>,5|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.3315	0.045	2	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<4>,7|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	109.9323	0.409	6	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Cl<1>,1|C<3>,1|S<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.3310	0.000	1	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Cl<1>,1|N<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.8640	0.000	1	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Cu<4>,6|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.3370	0.049	3	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Cu<6>,6|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.2150	0.000	1	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Ir<5>,6|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.9745	0.695	2	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Mg<7>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.6100	0.000	1	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|N<3>,1|O<2>,6|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.2450	0.000	1	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|N<3>,1|P<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.3790	0.000	1	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|N<3>,1|P<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.5675	0.139	2	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|N<3>,2|C<3>,5|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.6050	4.032	2	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|N<3>,6|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.2690	0.013	2	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|N<3>,7|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.3000	0.000	1	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|N<4>,7|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.2740	0.000	2	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Ni<5>,6|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.3300	0.013	2	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|O<2>,7|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	108.0640	0.000	1	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|P<4>,5|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.2970	0.000	1	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Pd<3>,1|C<3>,1|C<4>,5|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.3280	0.018	3	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Pd<4>,1|C<3>,6|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.2180	0.000	1	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Pd<4>,1|C<4>,6|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.2807	0.042	4	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Pd<4>,1|N<3>,6|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.2750	0.000	1	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Pd<5>,1|C<4>,6|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.2810	0.105	2	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Pd<5>,6|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.1540	0.000	1	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Pt<5>,6|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.3570	0.000	1	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Pt<6>,1|O<2>,6|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.3740	0.000	1	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Pt<6>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.2757	0.060	3	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Pt<7>,1|O<3>,6|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.2040	0.000	1	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Rh<10>,1|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	113.4620	0.000	1	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Rh<5>,5|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.4225	0.042	2	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Rh<5>,6|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.3170	0.000	1	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Rh<7>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.2900	0.000	1	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Ru<8>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.3480	0.000	1	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|S<4>,5|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.2430	0.000	1	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|Si<4>,1|O<2>,6|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	113.5500	0.000	1	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|W<11>,6|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.3020	0.000	1	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|Br<1>,1|C<2>,1|N<3>,1|O<2>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.1940	0.000	1	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|Br<1>,1|C<3>,1|N<3>,1|O<2>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.3240	0.006	2	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|Br<1>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.2640	0.000	1	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|C<2>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	109.0015	1.736	2	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.2280	0.000	1	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|C<3>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	107.0540	0.000	1	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|C<3>,2|O<2>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.3275	0.047	2	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.3830	0.044	2	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.4893	1.020	14	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|C<3>,5|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.2850	0.049	3	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|C<3>,6|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.2891	1.046	8	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|C<4>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.5605	0.025	2	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|C<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.2590	0.323	6	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|N<3>,6|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.3080	0.000	1	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|N<4>,6|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	107.2540	0.000	1	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|P<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	111.0400	0.000	1	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|P<4>,6|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.1950	0.000	1	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{2|S<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	108.3285	1.180	2	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{3|C<4>,5|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.4990	0.178	2	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{4|Br<1>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.6880	0.000	1	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2H)2(H)2{4|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.3425	0.037	2	110.3546	2.311	171	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2Ni)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2Ni)(C[5,5,6]C[5,6]2H)(H)2{7|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.0450	0.000	1	110.0450	0.000	1	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2Pd)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2Pd)(C[5,5,6]C[5,6]2H)(H)2{1|O<2>,7|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.2110	0.000	1	110.2110	0.000	1	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.5825	0.023	2	110.1574	4.375	5	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,1|O<2>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.4950	0.000	1	110.1574	4.375	5	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{1|O<1>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	112.4200	0.000	1	110.1574	4.375	5	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{2|C<3>,5|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	106.7070	0.000	1	110.1574	4.375	5	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	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)(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	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)(H)2{1|C<3>,1|O<1>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.6355	0.013	2	110.6328	0.001	4	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	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)(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	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)(H)2{1|C<3>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.6670	0.000	1	110.6328	0.001	4	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	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)(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	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)(H)2{1|C<3>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.5930	0.000	1	110.6328	0.001	4	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]P[5,6]H)(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]P[5,6]H)(H)2{1|C<3>,1|O<1>,1|S<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.0580	0.139	2	110.0420	0.010	3	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]P[5,6]H)(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]P[5,6]H)(H)2{1|C<3>,1|S<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.0100	0.000	1	110.0420	0.010	3	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]S[5,6]H)(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]S[5,6]H)(H)2{1|C<3>,1|O<1>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.1330	0.132	2	110.1330	0.017	2	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]N[5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)2(H)2{1|C<3>,1|S<4>,4|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.4840	0.000	1	110.4365	0.005	2	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]N[5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)2(H)2{7|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.3890	0.000	1	110.4365	0.005	2	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5,6]C[5,6]2C[6a])(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5,6]C[5,6]2C[6a])(H)2{1|I<1>,1|O<1>,2|C<3>,3|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.3345	0.028	2	110.3345	0.001	2	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]P[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]P[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,1|O<1>,6|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	109.8650	0.000	1	109.8650	0.000	1	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]S[5,6]H)(C[5,5,6]C[5,6]2H)(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]S[5,6]H)(C[5,5,6]C[5,6]2H)(H)2{2|C<4>,5|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	109.9150	0.000	1	109.9150	0.000	1	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]Ga[5,6]C[5,6]H)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]Ga[5,6]C[5,6]H)2(H)2{2|C<3>,2|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	109.3470	0.000	1	109.3470	0.000	1	110.3075	1.253	551	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:P[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(P[5,5,6]C[5,5,6]C[5,6]S)(H)2	H(C[5,5]C[5,5,6]P[5,5,6]H)	H(C[5,5]C[5,5,6]P[5,5,6]H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(P[5,5,6]C[5,5,6]C[5,6]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5,6]P[5,5,6]H)	H(C[5,5]C[5,5,6]P[5,5,6]H)	114.5380	0.000	1	114.5380	0.000	1	113.6807	0.723	3	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:P[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2C)(P[5,5,6]C[5,6]2S)(H)2	H(C[5,5]C[5,5,6]P[5,5,6]H)	H(C[5,5]C[5,5,6]P[5,5,6]H)	C[5,5](C[5,5,6]C[5,6]2C)(P[5,5,6]C[5,6]2S)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,5]C[5,5,6]P[5,5,6]H)	H(C[5,5]C[5,5,6]P[5,5,6]H)	112.8380	0.000	1	113.2520	0.343	2	113.6807	0.723	3	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:P[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2C)(P[5,5,6]C[5,6]2S)(H)2	H(C[5,5]C[5,5,6]P[5,5,6]H)	H(C[5,5]C[5,5,6]P[5,5,6]H)	C[5,5](C[5,5,6]C[5,6]2C)(P[5,5,6]C[5,6]2S)(H)2{3|C<4>,3|H<1>}	H(C[5,5]C[5,5,6]P[5,5,6]H)	H(C[5,5]C[5,5,6]P[5,5,6]H)	113.6660	0.000	1	113.2520	0.343	2	113.6807	0.723	3	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	N[5,5,6]-4:N[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](N[5,5,6]Ga[5,6]C[5,6]C)2(H)2	H(C[5,5]N[5,5,6]2H)	H(C[5,5]N[5,5,6]2H)	C[5,5](N[5,5,6]Ga[5,6]C[5,6]C)2(H)2{4|C<4>,4|H<1>}	H(C[5,5]N[5,5,6]2H)	H(C[5,5]N[5,5,6]2H)	107.3080	0.000	1	107.3080	0.000	1	107.3080	0.000	1	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	P[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](P[5,5,6]C[5,6]2Pd)(C[5,5,6]C[5,6]2C)(H)2	H(C[5,5]C[5,5,6]P[5,5,6]H)	H(C[5,5]C[5,5,6]P[5,5,6]H)	C[5,5](P[5,5,6]C[5,6]2Pd)(C[5,5,6]C[5,6]2C)(H)2{1|C<4>,3|C<3>}	H(C[5,5]C[5,5,6]P[5,5,6]H)	H(C[5,5]C[5,5,6]P[5,5,6]H)	110.1295	0.011	2	110.1295	0.000	2	110.1100	0.001	4	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	4:4:1:1:	4:	4:	P[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](P[5,5,6]C[5,6]2Rh)(C[5,5,6]C[5,6]2C)(H)2	H(C[5,5]C[5,5,6]P[5,5,6]H)	H(C[5,5]C[5,5,6]P[5,5,6]H)	C[5,5](P[5,5,6]C[5,6]2Rh)(C[5,5,6]C[5,6]2C)(H)2{1|C<4>,3|C<3>}	H(C[5,5]C[5,5,6]P[5,5,6]H)	H(C[5,5]C[5,5,6]P[5,5,6]H)	110.0905	0.026	2	110.0905	0.001	2	110.1100	0.001	4	110.2742	1.302	684	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,5]	H	H	5:5:1:1:	4:	4:	C[5,5,6]-5:C[5,5,6]-5:H-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2RhH)2(H)2	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[5,6]2RhH)2(H)2{4|H<1>}	H(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2H)	110.5870	0.000	1	110.5870	0.000	1	110.5870	0.000	1	110.5870	0.000	1	110.2633	1.282	704	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6,6]	H	H	4:4:1:1:	4:	4:	C[3x5,3x6]-4:C[5,5,6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6]-4:	C[5,6,6](C[3x5,3x6]C[4x5,6,6]C[5,6,6]C[5])(C[5,5,6,6]C[3x5,6]C[5,6]C)(H)2	H(C[5,6,6]C[3x5,3x6]C[5,5,6,6]H)	H(C[5,6,6]C[3x5,3x6]C[5,5,6,6]H)	C[5,6,6](C[3x5,3x6]C[4x5,6,6]C[5,6,6]C[5])(C[5,5,6,6]C[3x5,6]C[5,6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,6,6]C[3x5,3x6]C[5,5,6,6]H)	H(C[5,6,6]C[3x5,3x6]C[5,5,6,6]H)	109.5350	0.000	1	109.5350	0.000	1	109.5350	0.000	1	108.9864	0.452	10	108.9864	0.452	10	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6,6]	H	H	4:4:1:1:	4:	4:	C[3x5,6,6]-4:C[5,5,6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6]-4:	C[5,6,6](C[3x5,6,6]C[4x5,6,6]C[5,5,6,6]H)(C[5,5,6,6]C[3x5,6,6]C[5,6]H)(H)2	H(C[5,6,6]C[3x5,6,6]C[5,5,6,6]H)	H(C[5,6,6]C[3x5,6,6]C[5,5,6,6]H)	C[5,6,6](C[3x5,6,6]C[4x5,6,6]C[5,5,6,6]H)(C[5,5,6,6]C[3x5,6,6]C[5,6]H)(H)2{4|C<4>,4|H<1>}	H(C[5,6,6]C[3x5,6,6]C[5,5,6,6]H)	H(C[5,6,6]C[3x5,6,6]C[5,5,6,6]H)	107.3170	0.000	1	107.3170	0.000	1	107.3170	0.000	1	108.9864	0.452	10	108.9864	0.452	10	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6,6]	H	H	4:4:1:1:	4:	4:	C[4,5,6,6]-4:C[5,5,6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6]-4:	C[5,6,6](C[4,5,6,6]C[4,5,5,6]C[4,6,6]H)(C[5,5,6,6]C[5,6,6]C[5,5]H)(H)2	H(C[5,6,6]C[4,5,6,6]C[5,5,6,6]H)	H(C[5,6,6]C[4,5,6,6]C[5,5,6,6]H)	C[5,6,6](C[4,5,6,6]C[4,5,5,6]C[4,6,6]H)(C[5,5,6,6]C[5,6,6]C[5,5]H)(H)2{1|Cl<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6,6]C[4,5,6,6]C[5,5,6,6]H)	H(C[5,6,6]C[4,5,6,6]C[5,5,6,6]H)	109.1380	0.023	2	109.1380	0.001	2	108.9540	0.102	3	108.9864	0.452	10	108.9864	0.452	10	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6,6]	H	H	4:4:1:1:	4:	4:	C[4,5,6,6]-4:C[5,5,6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6]-4:	C[5,6,6](C[4,5,6,6]C[4,5,5,6]O[4,6]H)(C[5,5,6,6]C[5,6,6]O[5,5]H)(H)2	H(C[5,6,6]C[4,5,6,6]C[5,5,6,6]H)	H(C[5,6,6]C[4,5,6,6]C[5,5,6,6]H)	C[5,6,6](C[4,5,6,6]C[4,5,5,6]O[4,6]H)(C[5,5,6,6]C[5,6,6]O[5,5]H)(H)2{1|C<4>,3|H<1>}	H(C[5,6,6]C[4,5,6,6]C[5,5,6,6]H)	H(C[5,6,6]C[4,5,6,6]C[5,5,6,6]H)	108.5860	0.000	1	108.5860	0.000	1	108.9540	0.102	3	108.9864	0.452	10	108.9864	0.452	10	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[3x5,6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[4,5,5,6,6]C[4,5,3x6]H)(C[3x5,6,6]C[5,5,3x6]C[4,3x5]H)(H)2	H(C[5,6,6]C[3x5,6,6]C[5,3x6]H)	H(C[5,6,6]C[3x5,6,6]C[5,3x6]H)	C[5,6,6](C[5,3x6]C[4,5,5,6,6]C[4,5,3x6]H)(C[3x5,6,6]C[5,5,3x6]C[4,3x5]H)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[5,6,6]C[3x5,6,6]C[5,3x6]H)	H(C[5,6,6]C[3x5,6,6]C[5,3x6]H)	109.5250	0.035	2	109.5250	0.001	2	109.5250	0.001	2	108.9864	0.452	10	108.9864	0.452	10	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6,6]N[3x5,6]C[5,6]C)(H)2	H(C[5,6,6]C[5,5,6,6]2H)	H(C[5,6,6]C[5,5,6,6]2H)	C[5,6,6](C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6,6]N[3x5,6]C[5,6]C)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,6,6]C[5,5,6,6]2H)	H(C[5,6,6]C[5,5,6,6]2H)	109.3830	0.000	1	109.3830	0.000	1	109.0333	0.093	3	108.9864	0.452	10	108.9864	0.452	10	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6,6]P[3x5,6]C[5,6]H)(H)2	H(C[5,6,6]C[5,5,6,6]2H)	H(C[5,6,6]C[5,5,6,6]2H)	C[5,6,6](C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6,6]P[3x5,6]C[5,6]H)(H)2{1|C<3>,1|C<4>,1|O<2>,1|S<1>,3|H<1>}	H(C[5,6,6]C[5,5,6,6]2H)	H(C[5,6,6]C[5,5,6,6]2H)	108.8870	0.000	1	108.8585	0.002	2	109.0333	0.093	3	108.9864	0.452	10	108.9864	0.452	10	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:H-1:	C[5,6,6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6,6]P[3x5,6]C[5,6]H)(H)2	H(C[5,6,6]C[5,5,6,6]2H)	H(C[5,6,6]C[5,5,6,6]2H)	C[5,6,6](C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6,6]P[3x5,6]C[5,6]H)(H)2{1|C<3>,1|S<1>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,5,6,6]2H)	H(C[5,6,6]C[5,5,6,6]2H)	108.8300	0.000	1	108.8585	0.002	2	109.0333	0.093	3	108.9864	0.452	10	108.9864	0.452	10	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	3:3:1:1:	4:	4:	N[5,5,6]-3:C[5,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](N[5,5,6]C[5,5,6]C[5,6])(C[5,6]C[5,5,6,6]C)(H)2	H(C[5,6]N[5,5,6]C[5,6]H)	H(C[5,6]N[5,5,6]C[5,6]H)	C[5,6](N[5,5,6]C[5,5,6]C[5,6])(C[5,6]C[5,5,6,6]C)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]N[5,5,6]C[5,6]H)	H(C[5,6]N[5,5,6]C[5,6]H)	108.7560	0.000	1	108.7560	0.000	1	108.7560	0.000	1	108.7560	0.000	1	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	3:4:1:1:	4:	4:	C[5,5,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6])(C[5,6]C[5,5,6]CO)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6])(C[5,6]C[5,5,6]CO)(H)2{2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	103.0480	0.000	1	103.0480	0.000	1	101.8010	3.110	2	107.6224	8.809	11	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	3:4:1:1:	4:	4:	C[5,5,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6])(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6])(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	100.5540	0.000	1	100.5540	0.000	1	101.8010	3.110	2	107.6224	8.809	11	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	3:4:1:1:	4:	4:	C[5,6,6]-3:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[6])(C[5,5,6]C[5,6]O[5,5]H)(H)2	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6])(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	109.6590	0.000	1	109.5780	0.006	3	109.5780	0.006	3	107.6224	8.809	11	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	3:4:1:1:	4:	4:	C[5,6,6]-3:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[6])(C[5,5,6]C[5,6]O[5,5]H)(H)2	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6])(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	109.5375	0.052	2	109.5780	0.006	3	109.5780	0.006	3	107.6224	8.809	11	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	3:4:1:1:	4:	4:	N[3x5,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](N[3x5,6]C[5,5,6,6]C[3x5,6])(C[5,6]C[5,5,6,6]HH)(H)2	H(C[5,6]N[3x5,6]C[5,6]H)	H(C[5,6]N[3x5,6]C[5,6]H)	C[5,6](N[3x5,6]C[5,5,6,6]C[3x5,6])(C[5,6]C[5,5,6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5,6]N[3x5,6]C[5,6]H)	H(C[5,6]N[3x5,6]C[5,6]H)	108.6600	0.000	1	108.6600	0.000	1	108.6600	0.000	1	107.6224	8.809	11	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	3:4:1:1:	4:	4:	N[5,5,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](N[5,5,6]C[5,5]S[5,6])(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]N[5,5,6]C[5,6]H)	H(C[5,6]N[5,5,6]C[5,6]H)	C[5,6](N[5,5,6]C[5,5]S[5,6])(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,2|O<1>,3|H<1>}	H(C[5,6]N[5,5,6]C[5,6]H)	H(C[5,6]N[5,5,6]C[5,6]H)	108.6870	0.000	1	108.6870	0.000	1	108.5800	0.051	4	107.6224	8.809	11	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	3:4:1:1:	4:	4:	N[5,5,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](N[5,5,6]C[5,6,6]O[5,5])(C[5,6]C[5,5,6]HS)(H)2	H(C[5,6]N[5,5,6]C[5,6]H)	H(C[5,6]N[5,5,6]C[5,6]H)	C[5,6](N[5,5,6]C[5,6,6]O[5,5])(C[5,6]C[5,5,6]HS)(H)2{1|S<4>,3|C<4>}	H(C[5,6]N[5,5,6]C[5,6]H)	H(C[5,6]N[5,5,6]C[5,6]H)	108.8430	0.000	1	108.8430	0.000	1	108.5800	0.051	4	107.6224	8.809	11	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	3:4:1:1:	4:	4:	N[5,5,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](N[5,5,6]C[5,6,6]S[5,5])(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]N[5,5,6]C[5,6]H)	H(C[5,6]N[5,5,6]C[5,6]H)	C[5,6](N[5,5,6]C[5,6,6]S[5,5])(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|O<1>}	H(C[5,6]N[5,5,6]C[5,6]H)	H(C[5,6]N[5,5,6]C[5,6]H)	108.3590	0.000	1	108.3590	0.000	1	108.5800	0.051	4	107.6224	8.809	11	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	3:4:1:1:	4:	4:	N[5,5,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](N[5,5,6]C[5,6]S[5,5])(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]N[5,5,6]C[5,6]H)	H(C[5,6]N[5,5,6]C[5,6]H)	C[5,6](N[5,5,6]C[5,6]S[5,5])(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,2|O<1>,3|H<1>}	H(C[5,6]N[5,5,6]C[5,6]H)	H(C[5,6]N[5,5,6]C[5,6]H)	108.4310	0.000	1	108.4310	0.000	1	108.5800	0.051	4	107.6224	8.809	11	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	3:4:1:1:	4:	4:	P[5,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](P[5,6]P[5,6]C[5])(C[5,6]C[5]C[6]C)(H)2	H(C[5,6]C[5,6]P[5,6]H)	H(C[5,6]C[5,6]P[5,6]H)	C[5,6](P[5,6]P[5,6]C[5])(C[5,6]C[5]C[6]C)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[5,6]C[5,6]P[5,6]H)	H(C[5,6]C[5,6]P[5,6]H)	108.5300	0.000	1	108.5300	0.000	1	108.5300	0.000	1	107.6224	8.809	11	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:2:1:1:	4:	4:	C[5,5,6,6]-4:O[5,6]-2:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]H)(O[5,6]P[3x5,6])(H)2	H(C[5,6]C[5,5,6,6]O[5,6]H)	H(C[5,6]C[5,5,6,6]O[5,6]H)	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]H)(O[5,6]P[3x5,6])(H)2{1|C<3>,1|C<4>,1|S<1>,3|H<1>}	H(C[5,6]C[5,5,6,6]O[5,6]H)	H(C[5,6]C[5,5,6,6]O[5,6]H)	108.8180	0.000	1	108.8180	0.000	1	108.9758	0.040	4	109.0438	0.490	36	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:2:1:1:	4:	4:	C[5,5,6,6]-4:O[5,6]-2:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6,6])(O[5,6]C[5,5,6])(H)2	H(C[5,6]C[5,5,6,6]O[5,6]H)	H(C[5,6]C[5,5,6,6]O[5,6]H)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6,6])(O[5,6]C[5,5,6])(H)2{1|C<3>,3|H<1>,5|C<4>}	H(C[5,6]C[5,5,6,6]O[5,6]H)	H(C[5,6]C[5,5,6,6]O[5,6]H)	108.9085	0.037	2	108.9085	0.001	2	108.9758	0.040	4	109.0438	0.490	36	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:2:1:1:	4:	4:	C[5,5,6,6]-4:O[5,6]-2:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6]O[5,6]C[6])(O[5,6]C[5,5,6])(H)2	H(C[5,6]C[5,5,6,6]O[5,6]H)	H(C[5,6]C[5,5,6,6]O[5,6]H)	C[5,6](C[5,5,6,6]C[5,5,6]O[5,6]C[6])(O[5,6]C[5,5,6])(H)2{2|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,5,6,6]O[5,6]H)	H(C[5,6]C[5,5,6,6]O[5,6]H)	109.2680	0.000	1	109.2680	0.000	1	108.9758	0.040	4	109.0438	0.490	36	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:2:1:1:	4:	4:	C[5,5,6]-4:O[5,6]-2:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5,5]C)(O[5,6]C[5,5,6])(H)2	H(C[5,6]C[5,5,6]O[5,6]H)	H(C[5,6]C[5,5,6]O[5,6]H)	C[5,6](C[5,5,6]C[3x5,6]C[5,5]C)(O[5,6]C[5,5,6])(H)2{1|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,5,6]O[5,6]H)	H(C[5,6]C[5,5,6]O[5,6]H)	110.2330	0.000	1	110.2330	0.000	1	109.0788	0.887	20	109.0438	0.490	36	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:2:1:1:	4:	4:	C[5,5,6]-4:O[5,6]-2:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(O[5,6]C[5,5,6,6])(H)2	H(C[5,6]C[5,5,6]O[5,6]H)	H(C[5,6]C[5,5,6]O[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(O[5,6]C[5,5,6,6])(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]O[5,6]H)	H(C[5,6]C[5,5,6]O[5,6]H)	108.9720	0.000	1	108.9720	0.000	1	109.0788	0.887	20	109.0438	0.490	36	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:2:1:1:	4:	4:	C[5,5,6]-4:O[5,6]-2:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(O[5,6]C[5,5,6])(H)2	H(C[5,6]C[5,5,6]O[5,6]H)	H(C[5,6]C[5,5,6]O[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(O[5,6]C[5,5,6])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]C[5,5,6]O[5,6]H)	H(C[5,6]C[5,5,6]O[5,6]H)	110.3160	1.519	2	109.7242	1.244	4	109.0788	0.887	20	109.0438	0.490	36	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:2:1:1:	4:	4:	C[5,5,6]-4:O[5,6]-2:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(O[5,6]C[5,5,6])(H)2	H(C[5,6]C[5,5,6]O[5,6]H)	H(C[5,6]C[5,5,6]O[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(O[5,6]C[5,5,6])(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,5,6]O[5,6]H)	H(C[5,6]C[5,5,6]O[5,6]H)	109.1325	0.156	2	109.7242	1.244	4	109.0788	0.887	20	109.0438	0.490	36	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:2:1:1:	4:	4:	C[5,5,6]-4:O[5,6]-2:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(O[5,6]C[5,5,6])(H)2	H(C[5,6]C[5,5,6]O[5,6]H)	H(C[5,6]C[5,5,6]O[5,6]H)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(O[5,6]C[5,5,6])(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]O[5,6]H)	H(C[5,6]C[5,5,6]O[5,6]H)	109.1070	0.000	1	109.1317	0.002	3	109.0788	0.887	20	109.0438	0.490	36	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:2:1:1:	4:	4:	C[5,5,6]-4:O[5,6]-2:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(O[5,6]C[5,5,6])(H)2	H(C[5,6]C[5,5,6]O[5,6]H)	H(C[5,6]C[5,5,6]O[5,6]H)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(O[5,6]C[5,5,6])(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]O[5,6]H)	H(C[5,6]C[5,5,6]O[5,6]H)	109.1060	0.000	1	109.1317	0.002	3	109.0788	0.887	20	109.0438	0.490	36	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:2:1:1:	4:	4:	C[5,5,6]-4:O[5,6]-2:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(O[5,6]C[5,5,6])(H)2	H(C[5,6]C[5,5,6]O[5,6]H)	H(C[5,6]C[5,5,6]O[5,6]H)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(O[5,6]C[5,5,6])(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,5,6]O[5,6]H)	H(C[5,6]C[5,5,6]O[5,6]H)	109.1820	0.000	1	109.1317	0.002	3	109.0788	0.887	20	109.0438	0.490	36	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:2:1:1:	4:	4:	C[5,5,6]-4:O[5,6]-2:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(O[5,6]C[5,5,6])(H)2	H(C[5,6]C[5,5,6]O[5,6]H)	H(C[5,6]C[5,5,6]O[5,6]H)	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(O[5,6]C[5,5,6])(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[5,6]C[5,5,6]O[5,6]H)	H(C[5,6]C[5,5,6]O[5,6]H)	109.1730	0.000	1	109.1362	0.020	6	109.0788	0.887	20	109.0438	0.490	36	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:2:1:1:	4:	4:	C[5,5,6]-4:O[5,6]-2:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(O[5,6]C[5,5,6])(H)2	H(C[5,6]C[5,5,6]O[5,6]H)	H(C[5,6]C[5,5,6]O[5,6]H)	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(O[5,6]C[5,5,6])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]C[5,5,6]O[5,6]H)	H(C[5,6]C[5,5,6]O[5,6]H)	109.1338	0.181	4	109.1362	0.020	6	109.0788	0.887	20	109.0438	0.490	36	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:2:1:1:	4:	4:	C[5,5,6]-4:O[5,6]-2:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(O[5,6]C[5,5,6])(H)2	H(C[5,6]C[5,5,6]O[5,6]H)	H(C[5,6]C[5,5,6]O[5,6]H)	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(O[5,6]C[5,5,6])(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,5,6]O[5,6]H)	H(C[5,6]C[5,5,6]O[5,6]H)	109.1090	0.000	1	109.1362	0.020	6	109.0788	0.887	20	109.0438	0.490	36	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:2:1:1:	4:	4:	C[5,5,6]-4:O[5,6]-2:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(O[5,6]P[5,5,6])(H)2	H(C[5,6]C[5,5,6]O[5,6]H)	H(C[5,6]C[5,5,6]O[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(O[5,6]P[5,5,6])(H)2{1|Ru<6>,1|O<2>,2|H<1>}	H(C[5,6]C[5,5,6]O[5,6]H)	H(C[5,6]C[5,5,6]O[5,6]H)	108.8325	0.050	2	108.8250	0.003	4	109.0788	0.887	20	109.0438	0.490	36	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:2:1:1:	4:	4:	C[5,5,6]-4:O[5,6]-2:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(O[5,6]P[5,5,6])(H)2	H(C[5,6]C[5,5,6]O[5,6]H)	H(C[5,6]C[5,5,6]O[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(O[5,6]P[5,5,6])(H)2{1|Ru<9>,1|O<2>,2|H<1>}	H(C[5,6]C[5,5,6]O[5,6]H)	H(C[5,6]C[5,5,6]O[5,6]H)	108.8175	0.084	2	108.8250	0.003	4	109.0788	0.887	20	109.0438	0.490	36	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:2:1:1:	4:	4:	C[5,5,6]-4:O[5,6]-2:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(O[5,6]C[5,5,6,6])(H)2	H(C[5,6]C[5,5,6]O[5,6]H)	H(C[5,6]C[5,5,6]O[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(O[5,6]C[5,5,6,6])(H)2{2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]O[5,6]H)	H(C[5,6]C[5,5,6]O[5,6]H)	105.9620	0.000	1	105.9620	0.000	1	109.0788	0.887	20	109.0438	0.490	36	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:2:1:1:	4:	4:	C[5,5,6]-4:S[5,6]-2:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(S[5,6]C[5,5,6])(H)2	H(C[5,6]C[5,5,6]S[5,6]H)	H(C[5,6]C[5,5,6]S[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(S[5,6]C[5,5,6])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]C[5,5,6]S[5,6]H)	H(C[5,6]C[5,5,6]S[5,6]H)	108.9460	0.000	1	108.9460	0.000	1	109.0082	0.011	12	109.0438	0.490	36	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:2:1:1:	4:	4:	C[5,5,6]-4:S[5,6]-2:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,5]S[5,6]H)(S[5,6]C[5,5,6])(H)2	H(C[5,6]C[5,5,6]S[5,6]H)	H(C[5,6]C[5,5,6]S[5,6]H)	C[5,6](C[5,5,6]N[5,5]S[5,6]H)(S[5,6]C[5,5,6])(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5,6]C[5,5,6]S[5,6]H)	H(C[5,6]C[5,5,6]S[5,6]H)	109.0139	0.107	11	109.0139	0.012	11	109.0082	0.011	12	109.0438	0.490	36	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:3:1:1:	4:	4:	C[3x5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]C)(H)2	H(C[5,6]C[3x5,6]C[5,6]H)	H(C[5,6]C[3x5,6]C[5,6]H)	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]C)(H)2{2|Cl<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[3x5,6]C[5,6]H)	H(C[5,6]C[3x5,6]C[5,6]H)	107.4890	0.000	1	107.4890	0.000	1	107.4890	0.000	1	109.2709	0.973	182	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:3:1:1:	4:	4:	C[5,5,6,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,3x6]C[5,6,6]C[6])(C[5,6]C[5,5,3x6]O)(H)2	H(C[5,6]C[5,5,6,6]C[5,6]H)	H(C[5,6]C[5,5,6,6]C[5,6]H)	C[5,6](C[5,5,6,6]C[5,5,3x6]C[5,6,6]C[6])(C[5,6]C[5,5,3x6]O)(H)2{1|H<1>,1|O<1>,1|O<2>,5|C<4>}	H(C[5,6]C[5,5,6,6]C[5,6]H)	H(C[5,6]C[5,5,6,6]C[5,6]H)	109.3250	0.000	1	109.3250	0.000	1	109.0860	0.114	2	109.2709	0.973	182	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:3:1:1:	4:	4:	C[5,5,6,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[3x5,6]O)(H)2	H(C[5,6]C[5,5,6,6]C[5,6]H)	H(C[5,6]C[5,5,6,6]C[5,6]H)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[3x5,6]O)(H)2{1|O<2>,2|C<3>,3|C<4>}	H(C[5,6]C[5,5,6,6]C[5,6]H)	H(C[5,6]C[5,5,6,6]C[5,6]H)	108.8470	0.000	1	108.8470	0.000	1	109.0860	0.114	2	109.2709	0.973	182	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[3x5,6]N[5])(H)2	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[3x5,6]N[5])(H)2{1|S<4>,2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	114.9510	0.000	1	114.9510	0.000	1	114.9510	0.000	1	109.2709	0.973	182	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]O)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]O)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1930	0.000	1	109.1930	0.000	1	109.1665	0.611	126	109.2709	0.973	182	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]O)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]O)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.2220	0.000	1	109.1825	0.003	2	109.1665	0.611	126	109.2709	0.973	182	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]O)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]O)(H)2{1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1430	0.000	1	109.1825	0.003	2	109.1665	0.611	126	109.2709	0.973	182	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(H)2{2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	105.4490	0.000	1	105.4490	0.000	1	109.1665	0.611	126	109.2709	0.973	182	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)2{1|Sn<2>,1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0232	0.084	4	109.0232	0.007	4	109.1665	0.611	126	109.2709	0.973	182	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1740	0.000	1	108.9456	3.093	17	109.1665	0.611	126	109.2709	0.973	182	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(H)2{1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.3830	0.024	2	108.9456	3.093	17	109.1665	0.611	126	109.2709	0.973	182	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(H)2{2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.8668	1.941	14	108.9456	3.093	17	109.1665	0.611	126	109.2709	0.973	182	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N[6])(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N[6])(H)2{1|Ga<4>,1|C<4>,1|O<2>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.3890	0.000	1	109.3890	0.000	1	109.1665	0.611	126	109.2709	0.973	182	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1705	0.042	2	109.2371	0.120	88	109.1665	0.611	126	109.2709	0.973	182	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(H)2{1|N<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.3145	0.094	2	109.2371	0.120	88	109.1665	0.611	126	109.2709	0.973	182	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(H)2{2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.2368	0.353	84	109.2371	0.120	88	109.1665	0.611	126	109.2709	0.973	182	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]C)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]C)(H)2{1|C<4>,2|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.4260	0.000	1	108.4260	0.000	1	109.1665	0.611	126	109.2709	0.973	182	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]C)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]C)(H)2{1|Si<4>,1|C<4>,1|N<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.2490	0.000	3	109.2490	0.000	3	109.1665	0.611	126	109.2709	0.973	182	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]C)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]C)(H)2{1|Si<4>,1|C<4>,1|N<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.2660	0.000	2	109.2660	0.000	2	109.1665	0.611	126	109.2709	0.973	182	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]O)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]O)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.5130	0.000	1	109.5130	0.000	1	109.1665	0.611	126	109.2709	0.973	182	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]O)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]O)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.3770	0.000	1	109.3770	0.000	1	109.1665	0.611	126	109.2709	0.973	182	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]O)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]O)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.4888	0.115	4	109.4888	0.013	4	109.1665	0.611	126	109.2709	0.973	182	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:N[5,5,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5,5,6]C[3x5,6]C[5])(H)2	H(C[5,6]C[5,5,6]N[5,5,6]H)	H(C[5,6]C[5,5,6]N[5,5,6]H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5,5,6]C[3x5,6]C[5])(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]N[5,5,6]H)	H(C[5,6]C[5,5,6]N[5,5,6]H)	109.1170	0.000	1	109.1170	0.000	1	109.1170	0.000	1	109.2709	0.973	182	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5]C[5]C[6])(N[5,6]C[5,5]C[6])(H)2	H(C[5,6]C[5,5,6]N[5,6]H)	H(C[5,6]C[5,5,6]N[5,6]H)	C[5,6](C[5,5,6]C[3x5]C[5]C[6])(N[5,6]C[5,5]C[6])(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	H(C[5,6]C[5,5,6]N[5,6]H)	H(C[5,6]C[5,5,6]N[5,6]H)	109.0476	0.127	14	109.0476	0.016	14	109.2710	1.501	30	109.2709	0.973	182	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(N[5,6]C[5,5,3x6]C)(H)2	H(C[5,6]C[5,5,6]N[5,6]H)	H(C[5,6]C[5,5,6]N[5,6]H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(N[5,6]C[5,5,3x6]C)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]N[5,6]H)	H(C[5,6]C[5,5,6]N[5,6]H)	107.0665	2.809	2	107.0665	7.892	2	109.2710	1.501	30	109.2709	0.973	182	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(N[5,6]C[5,5,6]C)(H)2	H(C[5,6]C[5,5,6]N[5,6]H)	H(C[5,6]C[5,5,6]N[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(N[5,6]C[5,5,6]C)(H)2{1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]N[5,6]H)	H(C[5,6]C[5,5,6]N[5,6]H)	113.7730	0.000	1	113.7730	0.000	1	109.2710	1.501	30	109.2709	0.973	182	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(N[5,6]C[5,5,6]C[6a])(H)2	H(C[5,6]C[5,5,6]N[5,6]H)	H(C[5,6]C[5,5,6]N[5,6]H)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(N[5,6]C[5,5,6]C[6a])(H)2{1|C<4>,1|S<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]N[5,6]H)	H(C[5,6]C[5,5,6]N[5,6]H)	109.3260	0.000	1	109.3260	0.000	1	109.2710	1.501	30	109.2709	0.973	182	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(N[5,6]C[5,5,6]H)(H)2	H(C[5,6]C[5,5,6]N[5,6]H)	H(C[5,6]C[5,5,6]N[5,6]H)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(N[5,6]C[5,5,6]H)(H)2{1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]N[5,6]H)	H(C[5,6]C[5,5,6]N[5,6]H)	109.1945	0.019	2	109.1945	0.000	2	109.2710	1.501	30	109.2709	0.973	182	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(N[5,6]C[5,5,6]S)(H)2	H(C[5,6]C[5,5,6]N[5,6]H)	H(C[5,6]C[5,5,6]N[5,6]H)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(N[5,6]C[5,5,6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]N[5,6]H)	H(C[5,6]C[5,5,6]N[5,6]H)	109.5250	0.000	1	109.5250	0.000	1	109.2710	1.501	30	109.2709	0.973	182	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5,6]C[5,5,6]C)(H)2	H(C[5,6]C[5,5,6]N[5,6]H)	H(C[5,6]C[5,5,6]N[5,6]H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5,6]C[5,5,6]C)(H)2{1|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]N[5,6]H)	H(C[5,6]C[5,5,6]N[5,6]H)	109.5795	0.050	2	109.5477	0.004	3	109.2710	1.501	30	109.2709	0.973	182	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5,6]C[5,5,6]C)(H)2	H(C[5,6]C[5,5,6]N[5,6]H)	H(C[5,6]C[5,5,6]N[5,6]H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5,6]C[5,5,6]C)(H)2{1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]N[5,6]H)	H(C[5,6]C[5,5,6]N[5,6]H)	109.4840	0.000	1	109.5477	0.004	3	109.2710	1.501	30	109.2709	0.973	182	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5,6]C[5,5,6]H)(H)2	H(C[5,6]C[5,5,6]N[5,6]H)	H(C[5,6]C[5,5,6]N[5,6]H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5,6]C[5,5,6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5,6]C[5,5,6]N[5,6]H)	H(C[5,6]C[5,5,6]N[5,6]H)	111.3610	0.000	1	111.3610	0.000	1	109.2710	1.501	30	109.2709	0.973	182	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]P[5,6]H)(N[5,6]C[5,5,6]S)(H)2	H(C[5,6]C[5,5,6]N[5,6]H)	H(C[5,6]C[5,5,6]N[5,6]H)	C[5,6](C[5,5,6]C[5,5]P[5,6]H)(N[5,6]C[5,5,6]S)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5,6]C[5,5,6]N[5,6]H)	H(C[5,6]C[5,5,6]N[5,6]H)	109.2193	0.146	3	109.2318	0.015	4	109.2710	1.501	30	109.2709	0.973	182	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]P[5,6]H)(N[5,6]C[5,5,6]S)(H)2	H(C[5,6]C[5,5,6]N[5,6]H)	H(C[5,6]C[5,5,6]N[5,6]H)	C[5,6](C[5,5,6]C[5,5]P[5,6]H)(N[5,6]C[5,5,6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]N[5,6]H)	H(C[5,6]C[5,5,6]N[5,6]H)	109.2690	0.000	1	109.2318	0.015	4	109.2710	1.501	30	109.2709	0.973	182	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]S[5,6]H)(N[5,6]C[5,5,6]C)(H)2	H(C[5,6]C[5,5,6]N[5,6]H)	H(C[5,6]C[5,5,6]N[5,6]H)	C[5,6](C[5,5,6]C[5,5]S[5,6]H)(N[5,6]C[5,5,6]C)(H)2{1|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]N[5,6]H)	H(C[5,6]C[5,5,6]N[5,6]H)	109.3880	0.000	1	109.3880	0.000	1	109.2710	1.501	30	109.2709	0.973	182	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:P[5,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(P[5,6]C[5,5,6]C[6a])(H)2	H(C[5,6]C[5,5,6]P[5,6]H)	H(C[5,6]C[5,5,6]P[5,6]H)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(P[5,6]C[5,5,6]C[6a])(H)2{1|C<4>,1|S<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]P[5,6]H)	H(C[5,6]C[5,5,6]P[5,6]H)	108.9830	0.000	1	108.9830	0.000	1	108.9830	0.000	1	109.2709	0.973	182	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:N[5,5,6,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,3x6]C[6]C)(N[5,5,6,6]C[5,5,6,6]2)(H)2	H(C[5,6]N[5,5,6,6]C[5,6,6]H)	H(C[5,6]N[5,5,6,6]C[5,6,6]H)	C[5,6](C[5,6,6]C[5,5,3x6]C[6]C)(N[5,5,6,6]C[5,5,6,6]2)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]N[5,5,6,6]C[5,6,6]H)	H(C[5,6]N[5,5,6,6]C[5,6,6]H)	109.4740	0.206	2	109.4740	0.043	2	109.4740	0.043	2	109.2709	0.973	182	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(N[5,6]C[6,6]N[5])(H)2	H(C[5,6]C[5,6,6]N[5,6]H)	H(C[5,6]C[5,6,6]N[5,6]H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(N[5,6]C[6,6]N[5])(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6,6]N[5,6]H)	H(C[5,6]C[5,6,6]N[5,6]H)	111.1550	0.000	2	111.1550	0.000	2	111.1550	0.000	2	109.2709	0.973	182	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(N[5,6]C[5]C[6])(H)2	H(C[5,6]C[5,6]N[5,6]H)	H(C[5,6]C[5,6]N[5,6]H)	C[5,6](C[5,6]C[5]C[6]O)(N[5,6]C[5]C[6])(H)2{1|C<3>,1|C<4>,6|H<1>}	H(C[5,6]C[5,6]N[5,6]H)	H(C[5,6]C[5,6]N[5,6]H)	110.7040	0.000	1	110.7040	0.000	1	109.9659	0.765	10	109.2709	0.973	182	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5,6]H)(N[5,6]C[5,6]C[6])(H)2	H(C[5,6]C[5,6]N[5,6]H)	H(C[5,6]C[5,6]N[5,6]H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(N[5,6]C[5,6]C[6])(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]N[5,6]H)	H(C[5,6]C[5,6]N[5,6]H)	109.1470	0.000	1	109.7710	0.296	3	109.9659	0.765	10	109.2709	0.973	182	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5,6]H)(N[5,6]C[5,6]C[6])(H)2	H(C[5,6]C[5,6]N[5,6]H)	H(C[5,6]C[5,6]N[5,6]H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(N[5,6]C[5,6]C[6])(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]N[5,6]H)	H(C[5,6]C[5,6]N[5,6]H)	110.0830	0.093	2	109.7710	0.296	3	109.9659	0.765	10	109.2709	0.973	182	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]C)(N[5,6]C[5]S[6])(H)2	H(C[5,6]C[5,6]N[5,6]H)	H(C[5,6]C[5,6]N[5,6]H)	C[5,6](C[5,6]C[6,6a]C[5]C)(N[5,6]C[5]S[6])(H)2{2|C<3>,2|H<1>,2|O<1>}	H(C[5,6]C[5,6]N[5,6]H)	H(C[5,6]C[5,6]N[5,6]H)	109.1790	0.065	2	109.1790	0.004	2	109.9659	0.765	10	109.2709	0.973	182	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5]S[6])(H)2	H(C[5,6]C[5,6]N[5,6]H)	H(C[5,6]C[5,6]N[5,6]H)	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5]S[6])(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<1>}	H(C[5,6]C[5,6]N[5,6]H)	H(C[5,6]C[5,6]N[5,6]H)	111.4610	0.000	1	110.6380	1.339	3	109.9659	0.765	10	109.2709	0.973	182	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5]S[6])(H)2	H(C[5,6]C[5,6]N[5,6]H)	H(C[5,6]C[5,6]N[5,6]H)	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5]S[6])(H)2{1|C<4>,2|C<3>,2|O<1>,3|H<1>}	H(C[5,6]C[5,6]N[5,6]H)	H(C[5,6]C[5,6]N[5,6]H)	111.1380	0.000	1	110.6380	1.339	3	109.9659	0.765	10	109.2709	0.973	182	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5]S[6])(H)2	H(C[5,6]C[5,6]N[5,6]H)	H(C[5,6]C[5,6]N[5,6]H)	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5]S[6])(H)2{2|Br<1>,2|C<3>,2|H<1>,2|O<1>}	H(C[5,6]C[5,6]N[5,6]H)	H(C[5,6]C[5,6]N[5,6]H)	109.3150	0.000	1	110.6380	1.339	3	109.9659	0.765	10	109.2709	0.973	182	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(N[5,6]C[5]C[6])(H)2	H(C[5,6]C[5,6]N[5,6]H)	H(C[5,6]C[5,6]N[5,6]H)	C[5,6](C[5,6]C[6]N[5]H)(N[5,6]C[5]C[6])(H)2{1|C<4>,1|O<1>,1|O<2>,1|S<3>,3|H<1>}	H(C[5,6]C[5,6]N[5,6]H)	H(C[5,6]C[5,6]N[5,6]H)	109.3700	0.000	1	109.3700	0.000	1	109.9659	0.765	10	109.2709	0.973	182	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:3:1:1:	4:	4:	N[5,6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(H)2	H(C[5,6]N[5,6]2H)	H(C[5,6]N[5,6]2H)	C[5,6](N[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(H)2{1|C<4>,8|H<1>}	H(C[5,6]N[5,6]2H)	H(C[5,6]N[5,6]2H)	109.0953	0.089	6	109.0953	0.008	6	109.0953	0.008	6	109.2709	0.973	182	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	B[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](B[5,5,6]C[5,5]O[5,6]C[6a])(C[5,6]P[5,5,6]HH)(H)2	H(C[5,6]B[5,5,6]C[5,6]H)	H(C[5,6]B[5,5,6]C[5,6]H)	C[5,6](B[5,5,6]C[5,5]O[5,6]C[6a])(C[5,6]P[5,5,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[5,6]B[5,5,6]C[5,6]H)	H(C[5,6]B[5,5,6]C[5,6]H)	108.6077	0.089	3	108.6077	0.008	3	108.6077	0.008	3	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	B[5,5,6]-4:N[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](B[5,5,6]N[5,5,6]2H)(N[5,5,6]B[5,5,6]2H)(H)2	H(C[5,6]B[5,5,6]N[5,5,6]H)	H(C[5,6]B[5,5,6]N[5,5,6]H)	C[5,6](B[5,5,6]N[5,5,6]2H)(N[5,5,6]B[5,5,6]2H)(H)2{1|B<4>,1|N<4>,3|C<4>,4|H<1>}	H(C[5,6]B[5,5,6]N[5,5,6]H)	H(C[5,6]B[5,5,6]N[5,5,6]H)	107.8570	0.305	2	107.8570	0.093	2	107.8570	0.093	2	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[3,5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[3,5,5,6]C[3,5,5,6]C[5,6]C[3])(C[5,6,6]C[5,6]C[6,6]C)(H)2	H(C[5,6]C[3,5,5,6]C[5,6,6]H)	H(C[5,6]C[3,5,5,6]C[5,6,6]H)	C[5,6](C[3,5,5,6]C[3,5,5,6]C[5,6]C[3])(C[5,6,6]C[5,6]C[6,6]C)(H)2{2|C<4>,8|H<1>}	H(C[5,6]C[3,5,5,6]C[5,6,6]H)	H(C[5,6]C[3,5,5,6]C[5,6,6]H)	110.0585	1.135	2	110.0585	1.288	2	109.0340	1.845	4	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[3,5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[3,5,5,6]C[3,5,5,6]C[5,6]C[3])(C[5,6,6]C[5,6]C[6,6]H)(H)2	H(C[5,6]C[3,5,5,6]C[5,6,6]H)	H(C[5,6]C[3,5,5,6]C[5,6,6]H)	C[5,6](C[3,5,5,6]C[3,5,5,6]C[5,6]C[3])(C[5,6,6]C[5,6]C[6,6]H)(H)2{2|C<4>,8|H<1>}	H(C[5,6]C[3,5,5,6]C[5,6,6]H)	H(C[5,6]C[3,5,5,6]C[5,6,6]H)	108.0095	0.220	2	108.0095	0.048	2	109.0340	1.845	4	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[3,5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[3,5,6,6]C[3,3x6]C[3,5,6]C[6])(C[5,6,6]C[5,6]C[6,6]H)(H)2	H(C[5,6]C[3,5,6,6]C[5,6,6]H)	H(C[5,6]C[3,5,6,6]C[5,6,6]H)	C[5,6](C[3,5,6,6]C[3,3x6]C[3,5,6]C[6])(C[5,6,6]C[5,6]C[6,6]H)(H)2{1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,6]C[3,5,6,6]C[5,6,6]H)	H(C[5,6]C[3,5,6,6]C[5,6,6]H)	109.0760	0.000	1	108.9600	0.008	4	108.2291	1.968	10	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[3,5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[3,5,6,6]C[3,3x6]C[3,5,6]C[6])(C[5,6,6]C[5,6]C[6,6]H)(H)2	H(C[5,6]C[3,5,6,6]C[5,6,6]H)	H(C[5,6]C[3,5,6,6]C[5,6,6]H)	C[5,6](C[3,5,6,6]C[3,3x6]C[3,5,6]C[6])(C[5,6,6]C[5,6]C[6,6]H)(H)2{1|O<1>,4|C<4>,4|H<1>}	H(C[5,6]C[3,5,6,6]C[5,6,6]H)	H(C[5,6]C[3,5,6,6]C[5,6,6]H)	108.9213	0.048	3	108.9600	0.008	4	108.2291	1.968	10	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[3,5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[5,6])(C[5,6,6]C[5,6]C[6,6]H)(H)2	H(C[5,6]C[3,5,6,6]C[5,6,6]H)	H(C[5,6]C[3,5,6,6]C[5,6,6]H)	C[5,6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[5,6])(C[5,6,6]C[5,6]C[6,6]H)(H)2{1|C<2>,1|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[3,5,6,6]C[5,6,6]H)	H(C[5,6]C[3,5,6,6]C[5,6,6]H)	107.7150	1.233	2	107.7150	1.521	2	108.2291	1.968	10	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[3,5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[6])(C[5,6,6]C[5,6]C[6,6]H)(H)2	H(C[5,6]C[3,5,6,6]C[5,6,6]H)	H(C[5,6]C[3,5,6,6]C[5,6,6]H)	C[5,6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[6])(C[5,6,6]C[5,6]C[6,6]H)(H)2{1|C<2>,3|C<3>,5|H<1>}	H(C[5,6]C[3,5,6,6]C[5,6,6]H)	H(C[5,6]C[3,5,6,6]C[5,6,6]H)	106.3810	2.247	2	107.7553	4.203	4	108.2291	1.968	10	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[3,5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[6])(C[5,6,6]C[5,6]C[6,6]H)(H)2	H(C[5,6]C[3,5,6,6]C[5,6,6]H)	H(C[5,6]C[3,5,6,6]C[5,6,6]H)	C[5,6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[6])(C[5,6,6]C[5,6]C[6,6]H)(H)2{1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[5,6]C[3,5,6,6]C[5,6,6]H)	H(C[5,6]C[3,5,6,6]C[5,6,6]H)	109.1710	0.000	1	107.7553	4.203	4	108.2291	1.968	10	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[3,5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[6])(C[5,6,6]C[5,6]C[6,6]H)(H)2	H(C[5,6]C[3,5,6,6]C[5,6,6]H)	H(C[5,6]C[3,5,6,6]C[5,6,6]H)	C[5,6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[6])(C[5,6,6]C[5,6]C[6,6]H)(H)2{4|C<3>,5|H<1>}	H(C[5,6]C[3,5,6,6]C[5,6,6]H)	H(C[5,6]C[3,5,6,6]C[5,6,6]H)	109.0880	0.000	1	107.7553	4.203	4	108.2291	1.968	10	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[3,5,6]-4:C[5,3x6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]C)(C[5,3x6]C[3x6]C[5,6]C[6])(H)2	H(C[5,6]C[3,5,6]C[5,3x6]H)	H(C[5,6]C[3,5,6]C[5,3x6]H)	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]C)(C[5,3x6]C[3x6]C[5,6]C[6])(H)2{3|C<4>,7|H<1>}	H(C[5,6]C[3,5,6]C[5,3x6]H)	H(C[5,6]C[3,5,6]C[5,3x6]H)	108.8170	0.000	1	108.8170	0.000	1	108.9090	0.017	2	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[3,5,6]-4:C[5,3x6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,6,6]N[3,5,6]C)(C[5,3x6]C[3x6]C[5,6]C[6])(H)2	H(C[5,6]C[3,5,6]C[5,3x6]H)	H(C[5,6]C[3,5,6]C[5,3x6]H)	C[5,6](C[3,5,6]C[3,6,6]N[3,5,6]C)(C[5,3x6]C[3x6]C[5,6]C[6])(H)2{3|C<4>,7|H<1>}	H(C[5,6]C[3,5,6]C[5,3x6]H)	H(C[5,6]C[3,5,6]C[5,3x6]H)	109.0010	0.000	1	109.0010	0.000	1	108.9090	0.017	2	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[3,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	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)(H)2	H(C[5,6]C[3,5,6]C[5,6,6]H)	H(C[5,6]C[3,5,6]C[5,6,6]H)	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)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[3,5,6]C[5,6,6]H)	H(C[5,6]C[3,5,6]C[5,6,6]H)	109.1030	0.000	1	109.1030	0.000	1	109.0167	0.007	6	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[3,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]C)(C[5,6,6]C[6,6,6a]C[5,6]H)(H)2	H(C[5,6]C[3,5,6]C[5,6,6]H)	H(C[5,6]C[3,5,6]C[5,6,6]H)	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]C)(C[5,6,6]C[6,6,6a]C[5,6]H)(H)2{1|N<3>,2|C<3>,3|H<1>}	H(C[5,6]C[3,5,6]C[5,6,6]H)	H(C[5,6]C[3,5,6]C[5,6,6]H)	109.0560	0.000	1	109.0560	0.000	1	109.0167	0.007	6	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[3,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]C[6a])(C[5,6,6]C[4,5,3x6]C[5,6]H)(H)2	H(C[5,6]C[3,5,6]C[5,6,6]H)	H(C[5,6]C[3,5,6]C[5,6,6]H)	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]C[6a])(C[5,6,6]C[4,5,3x6]C[5,6]H)(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[3,5,6]C[5,6,6]H)	H(C[5,6]C[3,5,6]C[5,6,6]H)	108.9610	0.011	2	108.9610	0.000	2	109.0167	0.007	6	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[3,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]C[6a])(C[5,6,6]C[4,6,6]C[5,6]H)(H)2	H(C[5,6]C[3,5,6]C[5,6,6]H)	H(C[5,6]C[3,5,6]C[5,6,6]H)	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]C[6a])(C[5,6,6]C[4,6,6]C[5,6]H)(H)2{1|C<4>,3|H<1>,5|C<3>}	H(C[5,6]C[3,5,6]C[5,6,6]H)	H(C[5,6]C[3,5,6]C[5,6,6]H)	108.9110	0.000	1	108.9110	0.000	1	109.0167	0.007	6	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[3,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,6,6]C[4,5,3x6]C[5,6]H)(H)2	H(C[5,6]C[3,5,6]C[5,6,6]H)	H(C[5,6]C[3,5,6]C[5,6,6]H)	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,6,6]C[4,5,3x6]C[5,6]H)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[3,5,6]C[5,6,6]H)	H(C[5,6]C[3,5,6]C[5,6,6]H)	109.1080	0.000	1	109.1080	0.000	1	109.0167	0.007	6	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[3x5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[3x5,6,6]C[5,5,6,6]C[3x5,6]C[5])(C[5,5,6]C[3x5,6]C[5]N[6])(H)2	H(C[5,6]C[3x5,6,6]C[5,5,6]H)	H(C[5,6]C[3x5,6,6]C[5,5,6]H)	C[5,6](C[3x5,6,6]C[5,5,6,6]C[3x5,6]C[5])(C[5,5,6]C[3x5,6]C[5]N[6])(H)2{1|C<3>,1|O<1>,2|H<1>,2|O<2>,7|C<4>}	H(C[5,6]C[3x5,6,6]C[5,5,6]H)	H(C[5,6]C[3x5,6,6]C[5,5,6]H)	109.7590	0.000	1	109.7590	0.000	1	109.7590	0.000	1	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[3x5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]H)(C[5,6]C[3x5,6,6]C[6a]O)(H)2	H(C[5,6]C[3x5,6,6]C[5,6]H)	H(C[5,6]C[3x5,6,6]C[5,6]H)	C[5,6](C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]H)(C[5,6]C[3x5,6,6]C[6a]O)(H)2{2|H<1>,3|C<3>,3|C<4>}	H(C[5,6]C[3x5,6,6]C[5,6]H)	H(C[5,6]C[3x5,6,6]C[5,6]H)	108.9580	0.000	1	108.9580	0.000	1	108.9580	0.000	1	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:C[3,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[3,5,6]C[5,5,6]C[3]2)(H)2	H(C[5,6]C[3,5,6]C[3x5,6]H)	H(C[5,6]C[3,5,6]C[3x5,6]H)	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[3,5,6]C[5,5,6]C[3]2)(H)2{3|Cl<1>,1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,6]C[3,5,6]C[3x5,6]H)	H(C[5,6]C[3,5,6]C[3x5,6]H)	113.1985	2.922	2	113.1985	8.541	2	113.1985	8.541	2	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,5,6]C[3x5,6]O[5]O)(H)2	H(C[5,6]C[3x5,6]C[5,5,6]H)	H(C[5,6]C[3x5,6]C[5,5,6]H)	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,5,6]C[3x5,6]O[5]O)(H)2{1|H<1>,2|O<2>,7|C<4>}	H(C[5,6]C[3x5,6]C[5,5,6]H)	H(C[5,6]C[3x5,6]C[5,5,6]H)	109.1275	0.026	2	109.1275	0.001	2	109.2753	0.066	3	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,5,6]C[5,5,6]O[5]2)(H)2	H(C[5,6]C[3x5,6]C[5,5,6]H)	H(C[5,6]C[3x5,6]C[5,5,6]H)	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,5,6]C[5,5,6]O[5]2)(H)2{5|C<4>,6|H<1>}	H(C[5,6]C[3x5,6]C[5,5,6]H)	H(C[5,6]C[3x5,6]C[5,5,6]H)	109.5710	0.000	1	109.5710	0.000	1	109.2753	0.066	3	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5,6,6]C[5,6,6]C[6,6]H)(H)2	H(C[5,6]C[3x5,6]C[5,6,6]H)	H(C[5,6]C[3x5,6]C[5,6,6]H)	C[5,6](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5,6,6]C[5,6,6]C[6,6]H)(H)2{1|O<2>,4|H<1>,7|C<4>}	H(C[5,6]C[3x5,6]C[5,6,6]H)	H(C[5,6]C[3x5,6]C[5,6,6]H)	109.4120	0.000	1	109.4120	0.000	1	109.6356	0.017	5	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5,6,6]C[6,6]O[5,6]H)(H)2	H(C[5,6]C[3x5,6]C[5,6,6]H)	H(C[5,6]C[3x5,6]C[5,6,6]H)	C[5,6](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5,6,6]C[6,6]O[5,6]H)(H)2{4|H<1>,6|C<4>}	H(C[5,6]C[3x5,6]C[5,6,6]H)	H(C[5,6]C[3x5,6]C[5,6,6]H)	109.6420	0.000	1	109.6420	0.000	1	109.6356	0.017	5	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[3x5,6]C[3x5,6]C[5,6]O[5])(C[5,6,6]C[5,6]C[6,6]H)(H)2	H(C[5,6]C[3x5,6]C[5,6,6]H)	H(C[5,6]C[3x5,6]C[5,6,6]H)	C[5,6](C[3x5,6]C[3x5,6]C[5,6]O[5])(C[5,6,6]C[5,6]C[6,6]H)(H)2{1|O<2>,1|S<4>,2|C<4>,6|H<1>}	H(C[5,6]C[3x5,6]C[5,6,6]H)	H(C[5,6]C[3x5,6]C[5,6,6]H)	109.7080	0.031	3	109.7080	0.001	3	109.6356	0.017	5	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[3x5,6]C[3x5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[3x5,6]C[5,6]H)	H(C[5,6]C[3x5,6]C[5,6]H)	C[5,6](C[3x5,6]C[3x5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,1|S<4>,2|C<4>,3|H<1>}	H(C[5,6]C[3x5,6]C[5,6]H)	H(C[5,6]C[3x5,6]C[5,6]H)	106.6080	0.000	1	106.9700	0.262	2	109.0351	0.761	87	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[3x5,6]C[3x5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[3x5,6]C[5,6]H)	H(C[5,6]C[3x5,6]C[5,6]H)	C[5,6](C[3x5,6]C[3x5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2{1|N<3>,1|O<2>,1|S<4>,3|C<4>,3|H<1>}	H(C[5,6]C[3x5,6]C[5,6]H)	H(C[5,6]C[3x5,6]C[5,6]H)	107.3320	0.000	1	106.9700	0.262	2	109.0351	0.761	87	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[3x5,6]C[5,6]H)	H(C[5,6]C[3x5,6]C[5,6]H)	C[5,6](C[3x5,6]C[5,5,6,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,1|S<4>,2|C<4>,3|H<1>}	H(C[5,6]C[3x5,6]C[5,6]H)	H(C[5,6]C[3x5,6]C[5,6]H)	109.4930	0.000	1	108.9115	0.676	2	109.0351	0.761	87	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[3x5,6]C[5,6]H)	H(C[5,6]C[3x5,6]C[5,6]H)	C[5,6](C[3x5,6]C[5,5,6,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2{1|N<3>,1|O<2>,1|S<4>,3|C<4>,3|H<1>}	H(C[5,6]C[3x5,6]C[5,6]H)	H(C[5,6]C[3x5,6]C[5,6]H)	108.3300	0.000	1	108.9115	0.676	2	109.0351	0.761	87	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[3x5,6]C[5,6]H)	H(C[5,6]C[3x5,6]C[5,6]H)	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2{1|N<2>,1|S<4>,3|C<4>,3|H<1>}	H(C[5,6]C[3x5,6]C[5,6]H)	H(C[5,6]C[3x5,6]C[5,6]H)	107.6990	1.827	2	109.1589	0.245	68	109.0351	0.761	87	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[3x5,6]C[5,6]H)	H(C[5,6]C[3x5,6]C[5,6]H)	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2{1|N<3>,1|S<4>,3|C<4>,4|H<1>}	H(C[5,6]C[3x5,6]C[5,6]H)	H(C[5,6]C[3x5,6]C[5,6]H)	109.2538	0.193	59	109.1589	0.245	68	109.0351	0.761	87	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[3x5,6]C[5,6]H)	H(C[5,6]C[3x5,6]C[5,6]H)	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2{1|N<3>,1|S<4>,3|H<1>,4|C<4>}	H(C[5,6]C[3x5,6]C[5,6]H)	H(C[5,6]C[3x5,6]C[5,6]H)	109.0350	0.000	1	109.1589	0.245	68	109.0351	0.761	87	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[3x5,6]C[5,6]H)	H(C[5,6]C[3x5,6]C[5,6]H)	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2{1|O<1>,2|H<1>,2|N<3>,3|C<4>}	H(C[5,6]C[3x5,6]C[5,6]H)	H(C[5,6]C[3x5,6]C[5,6]H)	106.7130	0.000	1	109.1589	0.245	68	109.0351	0.761	87	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[3x5,6]C[5,6]H)	H(C[5,6]C[3x5,6]C[5,6]H)	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,1|S<3>,3|C<4>,4|H<1>}	H(C[5,6]C[3x5,6]C[5,6]H)	H(C[5,6]C[3x5,6]C[5,6]H)	109.3830	0.000	1	109.1589	0.245	68	109.0351	0.761	87	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[3x5,6]C[5,6]H)	H(C[5,6]C[3x5,6]C[5,6]H)	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,1|S<4>,3|C<4>,4|H<1>}	H(C[5,6]C[3x5,6]C[5,6]H)	H(C[5,6]C[3x5,6]C[5,6]H)	109.2080	0.000	1	109.1589	0.245	68	109.0351	0.761	87	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[3x5,6]C[5,6]H)	H(C[5,6]C[3x5,6]C[5,6]H)	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2{2|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[3x5,6]C[5,6]H)	H(C[5,6]C[3x5,6]C[5,6]H)	109.0310	0.058	3	109.1589	0.245	68	109.0351	0.761	87	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,6]O[5]H)(H)2	H(C[5,6]C[3x5,6]C[5,6]H)	H(C[5,6]C[3x5,6]C[5,6]H)	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,6]O[5]H)(H)2{1|H<1>,2|C<3>,3|O<2>,4|C<4>}	H(C[5,6]C[3x5,6]C[5,6]H)	H(C[5,6]C[3x5,6]C[5,6]H)	109.6000	0.000	1	108.6275	1.892	2	109.0351	0.761	87	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,6]O[5]H)(H)2	H(C[5,6]C[3x5,6]C[5,6]H)	H(C[5,6]C[3x5,6]C[5,6]H)	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,6]O[5]H)(H)2{1|O<2>,2|C<3>,3|H<1>,4|C<4>}	H(C[5,6]C[3x5,6]C[5,6]H)	H(C[5,6]C[3x5,6]C[5,6]H)	107.6550	0.000	1	108.6275	1.892	2	109.0351	0.761	87	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]C[5,5]N[5])(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[3x5,6]C[5,6]H)	H(C[5,6]C[3x5,6]C[5,6]H)	C[5,6](C[3x5,6]C[5,5,6]C[5,5]N[5])(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<2>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[3x5,6]C[5,6]H)	H(C[5,6]C[3x5,6]C[5,6]H)	107.8782	2.662	5	107.8782	7.087	5	109.0351	0.761	87	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]C[5,5]O[5,5])(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[3x5,6]C[5,6]H)	H(C[5,6]C[3x5,6]C[5,6]H)	C[5,6](C[3x5,6]C[5,5,6]C[5,5]O[5,5])(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[5,6]C[3x5,6]C[5,6]H)	H(C[5,6]C[3x5,6]C[5,6]H)	109.4863	0.050	3	109.4863	0.002	3	109.0351	0.761	87	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[3x5,6]C[5,6]H)	H(C[5,6]C[3x5,6]C[5,6]H)	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5,6]C[3x5,6]C[5,6]H)	H(C[5,6]C[3x5,6]C[5,6]H)	109.4230	0.000	1	109.4690	0.004	2	109.0351	0.761	87	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[3x5,6]C[5,6]H)	H(C[5,6]C[3x5,6]C[5,6]H)	C[5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[5,6]C[3x5,6]C[5,6]H)	H(C[5,6]C[3x5,6]C[5,6]H)	109.5150	0.000	1	109.4690	0.004	2	109.0351	0.761	87	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]O[5,5]N[5])(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[3x5,6]C[5,6]H)	H(C[5,6]C[3x5,6]C[5,6]H)	C[5,6](C[3x5,6]C[5,5,6]O[5,5]N[5])(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[5,6]C[3x5,6]C[5,6]H)	H(C[5,6]C[3x5,6]C[5,6]H)	109.5350	0.000	1	109.5350	0.000	1	109.0351	0.761	87	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5a,6]C[3x5]C[5])(C[5,6]C[5,5,6]C[6a]H)(H)2	H(C[5,6]C[3x5,6]C[5,6]H)	H(C[5,6]C[3x5,6]C[5,6]H)	C[5,6](C[3x5,6]C[5,5a,6]C[3x5]C[5])(C[5,6]C[5,5,6]C[6a]H)(H)2{2|C<4>,3|H<1>,5|C<3>}	H(C[5,6]C[3x5,6]C[5,6]H)	H(C[5,6]C[3x5,6]C[5,6]H)	108.9555	0.073	2	108.9555	0.005	2	109.0351	0.761	87	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[4,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[4,5,6]C[5,5,6]C[4]O[4])(C[5,5,6]C[5,5]C[5,6]H)(H)2	H(C[5,6]C[4,5,6]C[5,5,6]H)	H(C[5,6]C[4,5,6]C[5,5,6]H)	C[5,6](C[4,5,6]C[5,5,6]C[4]O[4])(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|P<5>,3|H<1>,5|C<4>}	H(C[5,6]C[4,5,6]C[5,5,6]H)	H(C[5,6]C[4,5,6]C[5,5,6]H)	109.0260	0.000	1	109.0260	0.000	1	109.0260	0.000	1	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[4x5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[4x5,6,6]C[3x5,6,6]2C[5,6])(C[5,6]C[5,5,6,6]HH)(H)2	H(C[5,6]C[4x5,6,6]C[5,6]H)	H(C[5,6]C[4x5,6,6]C[5,6]H)	C[5,6](C[4x5,6,6]C[3x5,6,6]2C[5,6])(C[5,6]C[5,5,6,6]HH)(H)2{4|C<4>,5|H<1>}	H(C[5,6]C[4x5,6,6]C[5,6]H)	H(C[5,6]C[4x5,6,6]C[5,6]H)	108.0970	1.889	2	108.0970	3.570	2	108.0970	3.570	2	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[4,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,3x6]C[6,6a]C[5,6])(C[4,5,6]C[4,5,6]2C)(H)2	H(C[5,6]C[4,5,6]C[5,3x6]H)	H(C[5,6]C[4,5,6]C[5,3x6]H)	C[5,6](C[5,3x6]C[5,3x6]C[6,6a]C[5,6])(C[4,5,6]C[4,5,6]2C)(H)2{2|H<1>,3|C<3>,5|C<4>}	H(C[5,6]C[4,5,6]C[5,3x6]H)	H(C[5,6]C[4,5,6]C[5,3x6]H)	107.0122	3.457	4	107.0122	11.948	4	107.0122	11.948	4	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]C)(H)2	H(C[5,6]C[5,3x6]C[5,5,6]H)	H(C[5,6]C[5,3x6]C[5,5,6]H)	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]C)(H)2{1|C<3>,3|C<4>,7|H<1>}	H(C[5,6]C[5,3x6]C[5,5,6]H)	H(C[5,6]C[5,3x6]C[5,5,6]H)	109.1520	0.000	1	109.1520	0.000	1	108.9828	1.357	20	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	H(C[5,6]C[5,3x6]C[5,5,6]H)	H(C[5,6]C[5,3x6]C[5,5,6]H)	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	H(C[5,6]C[5,3x6]C[5,5,6]H)	H(C[5,6]C[5,3x6]C[5,5,6]H)	109.2610	0.000	1	109.3314	0.005	5	108.9828	1.357	20	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	H(C[5,6]C[5,3x6]C[5,5,6]H)	H(C[5,6]C[5,3x6]C[5,5,6]H)	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[5,6]C[5,3x6]C[5,5,6]H)	H(C[5,6]C[5,3x6]C[5,5,6]H)	109.3995	0.043	2	109.3314	0.005	5	108.9828	1.357	20	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	H(C[5,6]C[5,3x6]C[5,5,6]H)	H(C[5,6]C[5,3x6]C[5,5,6]H)	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{1|O<2>,4|C<4>,7|H<1>}	H(C[5,6]C[5,3x6]C[5,5,6]H)	H(C[5,6]C[5,3x6]C[5,5,6]H)	109.2740	0.000	1	109.3314	0.005	5	108.9828	1.357	20	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	H(C[5,6]C[5,3x6]C[5,5,6]H)	H(C[5,6]C[5,3x6]C[5,5,6]H)	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{2|O<2>,4|C<4>,6|H<1>}	H(C[5,6]C[5,3x6]C[5,5,6]H)	H(C[5,6]C[5,3x6]C[5,5,6]H)	109.3230	0.000	1	109.3314	0.005	5	108.9828	1.357	20	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]O[5,6]C)(H)2	H(C[5,6]C[5,3x6]C[5,5,6]H)	H(C[5,6]C[5,3x6]C[5,5,6]H)	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]O[5,6]C)(H)2{1|C<3>,3|C<4>,5|H<1>}	H(C[5,6]C[5,3x6]C[5,5,6]H)	H(C[5,6]C[5,3x6]C[5,5,6]H)	109.3965	0.077	2	109.3270	0.008	4	108.9828	1.357	20	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]O[5,6]C)(H)2	H(C[5,6]C[5,3x6]C[5,5,6]H)	H(C[5,6]C[5,3x6]C[5,5,6]H)	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]O[5,6]C)(H)2{2|C<3>,2|C<4>,6|H<1>}	H(C[5,6]C[5,3x6]C[5,5,6]H)	H(C[5,6]C[5,3x6]C[5,5,6]H)	109.2500	0.000	1	109.3270	0.008	4	108.9828	1.357	20	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]O[5,6]C)(H)2	H(C[5,6]C[5,3x6]C[5,5,6]H)	H(C[5,6]C[5,3x6]C[5,5,6]H)	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]O[5,6]C)(H)2{4|C<4>,6|H<1>}	H(C[5,6]C[5,3x6]C[5,5,6]H)	H(C[5,6]C[5,3x6]C[5,5,6]H)	109.2650	0.000	1	109.3270	0.008	4	108.9828	1.357	20	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,4x6]C[5,5,6]H)(H)2	H(C[5,6]C[5,3x6]C[5,5,6]H)	H(C[5,6]C[5,3x6]C[5,5,6]H)	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,4x6]C[5,5,6]H)(H)2{1|C<3>,1|H<1>,1|N<3>,6|C<4>}	H(C[5,6]C[5,3x6]C[5,5,6]H)	H(C[5,6]C[5,3x6]C[5,5,6]H)	108.9385	0.052	2	108.9253	0.002	3	108.9828	1.357	20	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,4x6]C[5,5,6]H)(H)2	H(C[5,6]C[5,3x6]C[5,5,6]H)	H(C[5,6]C[5,3x6]C[5,5,6]H)	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,4x6]C[5,5,6]H)(H)2{1|H<1>,1|N<3>,2|C<3>,5|C<4>}	H(C[5,6]C[5,3x6]C[5,5,6]H)	H(C[5,6]C[5,3x6]C[5,5,6]H)	108.8990	0.000	1	108.9253	0.002	3	108.9828	1.357	20	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,5,6,6]C[5,6]H)(H)2	H(C[5,6]C[5,3x6]C[5,5,6]H)	H(C[5,6]C[5,3x6]C[5,5,6]H)	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,5,6,6]C[5,6]H)(H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,3x6]C[5,5,6]H)	H(C[5,6]C[5,3x6]C[5,5,6]H)	106.5760	3.504	2	106.5760	12.281	2	108.9828	1.357	20	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,5,6]C[5,6,6]H)(H)2	H(C[5,6]C[5,3x6]C[5,5,6]H)	H(C[5,6]C[5,3x6]C[5,5,6]H)	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,5,6]C[5,6,6]H)(H)2{1|C<3>,1|N<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,3x6]C[5,5,6]H)	H(C[5,6]C[5,3x6]C[5,5,6]H)	108.9790	0.000	1	108.9790	0.000	1	108.9828	1.357	20	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,5,6,6]C[5,3x6]O)(C[5,5,6]C[3x5,6]C[5,6]H)(H)2	H(C[5,6]C[5,3x6]C[5,5,6]H)	H(C[5,6]C[5,3x6]C[5,5,6]H)	C[5,6](C[5,3x6]C[5,5,6,6]C[5,3x6]O)(C[5,5,6]C[3x5,6]C[5,6]H)(H)2{2|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,3x6]C[5,5,6]H)	H(C[5,6]C[5,3x6]C[5,5,6]H)	109.4080	0.080	4	109.4080	0.006	4	108.9828	1.357	20	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,3x6]C[5,6]H)	H(C[5,6]C[5,3x6]C[5,6]H)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,3|C<4>,3|O<2>,4|H<1>}	H(C[5,6]C[5,3x6]C[5,6]H)	H(C[5,6]C[5,3x6]C[5,6]H)	109.4135	0.009	2	109.4570	0.006	3	109.4747	0.004	7	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,3x6]C[5,6]H)	H(C[5,6]C[5,3x6]C[5,6]H)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(H)2{2|C<3>,2|C<4>,3|O<2>,4|H<1>}	H(C[5,6]C[5,3x6]C[5,6]H)	H(C[5,6]C[5,3x6]C[5,6]H)	109.5440	0.000	1	109.4570	0.006	3	109.4747	0.004	7	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]O)(H)2	H(C[5,6]C[5,3x6]C[5,6]H)	H(C[5,6]C[5,3x6]C[5,6]H)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]O)(H)2{1|C<3>,3|C<4>,3|O<2>,4|H<1>}	H(C[5,6]C[5,3x6]C[5,6]H)	H(C[5,6]C[5,3x6]C[5,6]H)	109.4070	0.000	1	109.4070	0.000	1	109.4747	0.004	7	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,3x6]C[5,6]C[6])(C[5,6]C[5]O[6]O)(H)2	H(C[5,6]C[5,3x6]C[5,6]H)	H(C[5,6]C[5,3x6]C[5,6]H)	C[5,6](C[5,3x6]C[5,3x6]C[5,6]C[6])(C[5,6]C[5]O[6]O)(H)2{1|C<4>,1|N<3>,3|C<3>,5|H<1>}	H(C[5,6]C[5,3x6]C[5,6]H)	H(C[5,6]C[5,3x6]C[5,6]H)	109.4620	0.000	1	109.4620	0.000	1	109.4747	0.004	7	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,6,6]C[6,6]C[6])(C[5,6]O[5]O[6]H)(H)2	H(C[5,6]C[5,3x6]C[5,6]H)	H(C[5,6]C[5,3x6]C[5,6]H)	C[5,6](C[5,3x6]C[5,6,6]C[6,6]C[6])(C[5,6]O[5]O[6]H)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,3x6]C[5,6]H)	H(C[5,6]C[5,3x6]C[5,6]H)	109.5530	0.000	1	109.5530	0.000	1	109.4747	0.004	7	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,6]C[6,6]2)(C[5,6]C[6,6]O[5]H)(H)2	H(C[5,6]C[5,3x6]C[5,6]H)	H(C[5,6]C[5,3x6]C[5,6]H)	C[5,6](C[5,3x6]C[5,6]C[6,6]2)(C[5,6]C[6,6]O[5]H)(H)2{1|C<3>,2|H<1>,6|C<4>}	H(C[5,6]C[5,3x6]C[5,6]H)	H(C[5,6]C[5,3x6]C[5,6]H)	109.5300	0.000	1	109.5300	0.000	1	109.4747	0.004	7	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,3x6]C[5,5,3x6]C[5,4x6]O[5])(C[5,5,6]C[5,6]O[5,5]H)(H)2	H(C[5,6]C[5,5,3x6]C[5,5,6]H)	H(C[5,6]C[5,5,3x6]C[5,5,6]H)	C[5,6](C[5,5,3x6]C[5,5,3x6]C[5,4x6]O[5])(C[5,5,6]C[5,6]O[5,5]H)(H)2{2|O<2>,6|C<4>}	H(C[5,6]C[5,5,3x6]C[5,5,6]H)	H(C[5,6]C[5,5,3x6]C[5,5,6]H)	109.4950	0.000	1	109.4950	0.000	1	109.4950	0.000	1	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[4,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	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)(H)2	H(C[5,6]C[5,5,6,6]C[4,5,6]H)	H(C[5,6]C[5,5,6,6]C[4,5,6]H)	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)(H)2{4|C<4>,4|H<1>}	H(C[5,6]C[5,5,6,6]C[4,5,6]H)	H(C[5,6]C[5,5,6,6]C[4,5,6]H)	107.5740	0.000	1	107.5740	0.000	1	107.5740	0.000	1	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,6]C[6])(C[5,5,6,6]C[5,6,6]O[5,6]C[5])(H)2	H(C[5,6]C[5,5,6,6]2H)	H(C[5,6]C[5,5,6,6]2H)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,6]C[6])(C[5,5,6,6]C[5,6,6]O[5,6]C[5])(H)2{1|O<1>,1|O<2>,4|H<1>,6|C<4>}	H(C[5,6]C[5,5,6,6]2H)	H(C[5,6]C[5,5,6,6]2H)	109.7310	0.000	1	109.7310	0.000	1	109.7310	0.000	1	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[3x5,6]C[5,3x6]C[6a])(C[5,5,6]C[3x5,6]C[5,6]C)(H)2	H(C[5,6]C[5,5,6,6]C[5,5,6]H)	H(C[5,6]C[5,5,6,6]C[5,5,6]H)	C[5,6](C[5,5,6,6]C[3x5,6]C[5,3x6]C[6a])(C[5,5,6]C[3x5,6]C[5,6]C)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6,6]C[5,5,6]H)	H(C[5,6]C[5,5,6,6]C[5,5,6]H)	109.0853	0.086	4	109.0853	0.007	4	109.1616	0.020	7	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[3x5,6]C[5,3x6]H)(C[5,5,6]C[3x5,6]C[5,6]H)(H)2	H(C[5,6]C[5,5,6,6]C[5,5,6]H)	H(C[5,6]C[5,5,6,6]C[5,5,6]H)	C[5,6](C[5,5,6,6]C[3x5,6]C[5,3x6]H)(C[5,5,6]C[3x5,6]C[5,6]H)(H)2{1|C<3>,3|C<4>,5|H<1>}	H(C[5,6]C[5,5,6,6]C[5,5,6]H)	H(C[5,6]C[5,5,6,6]C[5,5,6]H)	109.3470	0.031	2	109.3470	0.001	2	109.1616	0.020	7	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6]C[6])(C[5,5,6]C[5,6]O[5,5]H)(H)2	H(C[5,6]C[5,5,6,6]C[5,5,6]H)	H(C[5,6]C[5,5,6,6]C[5,5,6]H)	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6]C[6])(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|O<2>,2|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6,6]C[5,5,6]H)	H(C[5,6]C[5,5,6,6]C[5,5,6]H)	109.0960	0.000	1	109.0960	0.000	1	109.1616	0.020	7	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,6]C[6])(C[5,6,6]C[5,6,6]O[5,6]C)(H)2	H(C[5,6]C[5,5,6,6]C[5,6,6]H)	H(C[5,6]C[5,5,6,6]C[5,6,6]H)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,6]C[6])(C[5,6,6]C[5,6,6]O[5,6]C)(H)2{1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,5,6,6]C[5,6,6]H)	H(C[5,6]C[5,5,6,6]C[5,6,6]H)	109.5350	0.000	1	109.5350	0.000	1	109.3270	0.087	2	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6,6]C[5,5,6,6]C[6]F)(H)2	H(C[5,6]C[5,5,6,6]C[5,6,6]H)	H(C[5,6]C[5,5,6,6]C[5,6,6]H)	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6,6]C[5,5,6,6]C[6]F)(H)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,5,6,6]C[5,6,6]H)	H(C[5,6]C[5,5,6,6]C[5,6,6]H)	109.1190	0.000	1	109.1190	0.000	1	109.3270	0.087	2	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[3x5,6,6]C[5,6,6]H)(C[5,6]C[4x5,6,6]HH)(H)2	H(C[5,6]C[5,5,6,6]C[5,6]H)	H(C[5,6]C[5,5,6,6]C[5,6]H)	C[5,6](C[5,5,6,6]C[3x5,6,6]C[5,6,6]H)(C[5,6]C[4x5,6,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6,6]C[5,6]H)	H(C[5,6]C[5,5,6,6]C[5,6]H)	110.0600	0.000	1	107.7785	10.410	2	108.8411	1.129	22	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[3x5,6,6]C[5,6,6]H)(C[5,6]C[4x5,6,6]HH)(H)2	H(C[5,6]C[5,5,6,6]C[5,6]H)	H(C[5,6]C[5,5,6,6]C[5,6]H)	C[5,6](C[5,5,6,6]C[3x5,6,6]C[5,6,6]H)(C[5,6]C[4x5,6,6]HH)(H)2{3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6,6]C[5,6]H)	H(C[5,6]C[5,5,6,6]C[5,6]H)	105.4970	0.000	1	107.7785	10.410	2	108.8411	1.129	22	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]H)(C[5,6]N[3x5,6]HH)(H)2	H(C[5,6]C[5,5,6,6]C[5,6]H)	H(C[5,6]C[5,5,6,6]C[5,6]H)	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]H)(C[5,6]N[3x5,6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]C[5,5,6,6]C[5,6]H)	H(C[5,6]C[5,5,6,6]C[5,6]H)	109.4210	0.000	1	109.4210	0.000	1	108.8411	1.129	22	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]H)(C[5,6]P[3x5,6]HH)(H)2	H(C[5,6]C[5,5,6,6]C[5,6]H)	H(C[5,6]C[5,5,6,6]C[5,6]H)	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]H)(C[5,6]P[3x5,6]HH)(H)2{1|C<3>,1|C<4>,1|S<1>,3|H<1>}	H(C[5,6]C[5,5,6,6]C[5,6]H)	H(C[5,6]C[5,5,6,6]C[5,6]H)	108.7510	0.000	1	108.7510	0.000	1	108.8411	1.129	22	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[4x5,6]C[5,6,6]H)(C[5,6]C[4,4x5,6]HO)(H)2	H(C[5,6]C[5,5,6,6]C[5,6]H)	H(C[5,6]C[5,5,6,6]C[5,6]H)	C[5,6](C[5,5,6,6]C[4x5,6]C[5,6,6]H)(C[5,6]C[4,4x5,6]HO)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6,6]C[5,6]H)	H(C[5,6]C[5,5,6,6]C[5,6]H)	108.5760	0.000	1	108.5760	0.000	1	108.8411	1.129	22	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6,6]C[5,6]H)	H(C[5,6]C[5,5,6,6]C[5,6]H)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,5,6,6]C[5,6]H)	H(C[5,6]C[5,5,6,6]C[5,6]H)	106.0000	0.000	1	106.0000	0.000	1	108.8411	1.129	22	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6,6]C[5,6]H)	H(C[5,6]C[5,5,6,6]C[5,6]H)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6,6]C[5,6]H)	H(C[5,6]C[5,5,6,6]C[5,6]H)	108.8520	0.000	1	108.8520	0.000	1	108.8411	1.129	22	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6,6]C[5,6]H)	H(C[5,6]C[5,5,6,6]C[5,6]H)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,2|O<2>,3|H<1>}	H(C[5,6]C[5,5,6,6]C[5,6]H)	H(C[5,6]C[5,5,6,6]C[5,6]H)	108.9200	0.000	1	108.9200	0.000	1	108.8411	1.129	22	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6,6])(C[5,6]C[5,5,6]HO)(H)2	H(C[5,6]C[5,5,6,6]C[5,6]H)	H(C[5,6]C[5,5,6,6]C[5,6]H)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6,6])(C[5,6]C[5,5,6]HO)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,5,6,6]C[5,6]H)	H(C[5,6]C[5,5,6,6]C[5,6]H)	109.0625	0.019	2	109.0625	0.000	2	108.8411	1.129	22	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6,6]C[5,6]H)	H(C[5,6]C[5,5,6,6]C[5,6]H)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[5,6]C[5,5,6,6]C[5,6]H)	H(C[5,6]C[5,5,6,6]C[5,6]H)	108.9860	0.000	1	108.9860	0.000	1	108.8411	1.129	22	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[6,6a]O[5]H)(H)2	H(C[5,6]C[5,5,6,6]C[5,6]H)	H(C[5,6]C[5,5,6,6]C[5,6]H)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[6,6a]O[5]H)(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6,6]C[5,6]H)	H(C[5,6]C[5,5,6,6]C[5,6]H)	109.6780	0.000	1	109.6780	0.000	1	108.8411	1.129	22	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]N[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6,6]C[5,6]H)	H(C[5,6]C[5,5,6,6]C[5,6]H)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]N[5,5,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[5,6]C[5,5,6,6]C[5,6]H)	H(C[5,6]C[5,5,6,6]C[5,6]H)	109.2840	0.000	1	109.2840	0.000	1	108.8411	1.129	22	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6,6]C[5,6]H)	H(C[5,6]C[5,5,6,6]C[5,6]H)	C[5,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,4|C<4>,4|H<1>}	H(C[5,6]C[5,5,6,6]C[5,6]H)	H(C[5,6]C[5,5,6,6]C[5,6]H)	108.9710	0.000	1	108.9335	0.004	4	108.8411	1.129	22	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6,6]C[5,6]H)	H(C[5,6]C[5,5,6,6]C[5,6]H)	C[5,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6,6]C[5,6]H)	H(C[5,6]C[5,5,6,6]C[5,6]H)	108.8630	0.000	1	108.9335	0.004	4	108.8411	1.129	22	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6,6]C[5,6]H)	H(C[5,6]C[5,5,6,6]C[5,6]H)	C[5,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]HH)(H)2{2|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,5,6,6]C[5,6]H)	H(C[5,6]C[5,5,6,6]C[5,6]H)	108.9500	0.074	2	108.9335	0.004	4	108.8411	1.129	22	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,6,6]C[5,6]N[5])(C[5,6]C[6,6]O[5]H)(H)2	H(C[5,6]C[5,5,6,6]C[5,6]H)	H(C[5,6]C[5,5,6,6]C[5,6]H)	C[5,6](C[5,5,6,6]C[5,6,6]C[5,6]N[5])(C[5,6]C[6,6]O[5]H)(H)2{1|C<3>,1|O<2>,6|C<4>}	H(C[5,6]C[5,5,6,6]C[5,6]H)	H(C[5,6]C[5,5,6,6]C[5,6]H)	109.7930	0.000	1	109.7930	0.000	1	108.8411	1.129	22	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6,6]HH)(H)2	H(C[5,6]C[5,5,6,6]C[5,6]H)	H(C[5,6]C[5,5,6,6]C[5,6]H)	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6,6]HH)(H)2{2|Cl<1>,2|C<4>,3|C<3>}	H(C[5,6]C[5,5,6,6]C[5,6]H)	H(C[5,6]C[5,5,6,6]C[5,6]H)	109.3700	0.000	1	109.3700	0.000	1	108.8411	1.129	22	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	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)(H)2	H(C[5,6]C[5,5,6,6]C[5,6]H)	H(C[5,6]C[5,5,6,6]C[5,6]H)	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)(H)2{3|C<4>,4|H<1>}	H(C[5,6]C[5,5,6,6]C[5,6]H)	H(C[5,6]C[5,5,6,6]C[5,6]H)	109.1650	0.000	1	109.1650	0.000	1	108.8411	1.129	22	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6]HS)(H)2	H(C[5,6]C[5,5,6,6]C[5,6]H)	H(C[5,6]C[5,5,6,6]C[5,6]H)	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6]HS)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[5,6]C[5,5,6,6]C[5,6]H)	H(C[5,6]C[5,5,6,6]C[5,6]H)	109.1570	0.000	1	109.1570	0.000	1	108.8411	1.129	22	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6,6]N[5,5,6]N[5,6,6]C[5a,6])(C[5,6]C[5,5,6,6]CC)(H)2	H(C[5,6]C[5,5,6,6]C[5,6]H)	H(C[5,6]C[5,5,6,6]C[5,6]H)	C[5,6](C[5,5,6,6]N[5,5,6]N[5,6,6]C[5a,6])(C[5,6]C[5,5,6,6]CC)(H)2{1|N<3>,2|C<4>,3|C<3>}	H(C[5,6]C[5,5,6,6]C[5,6]H)	H(C[5,6]C[5,5,6,6]C[5,6]H)	109.1350	0.000	1	109.1350	0.000	1	108.8411	1.129	22	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:N[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,3x6]C[5,5,6]C)(N[5,6]C[5,5,6]CH)(H)2	H(C[5,6]C[5,5,6,6]N[5,6]H)	H(C[5,6]C[5,5,6,6]N[5,6]H)	C[5,6](C[5,5,6,6]C[5,3x6]C[5,5,6]C)(N[5,6]C[5,5,6]CH)(H)2{3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6,6]N[5,6]H)	H(C[5,6]C[5,5,6,6]N[5,6]H)	108.8500	0.000	1	108.8500	0.000	1	108.8500	0.000	1	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,3x6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[3,5,5,6]C[5,5,6]H)(C[5,3x6]C[5,5,3x6]C[6,6]H)(H)2	H(C[5,6]C[5,3x6]C[5,5,6]H)	H(C[5,6]C[5,3x6]C[5,5,6]H)	C[5,6](C[5,5,6]C[3,5,5,6]C[5,5,6]H)(C[5,3x6]C[5,5,3x6]C[6,6]H)(H)2{1|N<3>,2|H<1>,6|C<4>}	H(C[5,6]C[5,3x6]C[5,5,6]H)	H(C[5,6]C[5,3x6]C[5,5,6]H)	109.0645	0.098	2	109.0645	0.010	2	109.4513	0.232	11	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,3x6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[4,5,6,6]C[5,5,6]H)(C[5,3x6]C[5,5,3x6]C[6,6]H)(H)2	H(C[5,6]C[5,3x6]C[5,5,6]H)	H(C[5,6]C[5,3x6]C[5,5,6]H)	C[5,6](C[5,5,6]C[4,5,6,6]C[5,5,6]H)(C[5,3x6]C[5,5,3x6]C[6,6]H)(H)2{1|N<3>,2|H<1>,6|C<4>}	H(C[5,6]C[5,3x6]C[5,5,6]H)	H(C[5,6]C[5,3x6]C[5,5,6]H)	108.9950	0.130	2	108.9950	0.017	2	109.4513	0.232	11	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,3x6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]C)(C[5,3x6]C[5,3x6]C[4x6]H)(H)2	H(C[5,6]C[5,3x6]C[5,5,6]H)	H(C[5,6]C[5,3x6]C[5,5,6]H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]C)(C[5,3x6]C[5,3x6]C[4x6]H)(H)2{4|C<4>,5|H<1>}	H(C[5,6]C[5,3x6]C[5,5,6]H)	H(C[5,6]C[5,3x6]C[5,5,6]H)	109.5250	0.000	1	109.5250	0.000	1	109.4513	0.232	11	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,3x6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,3x6]N[5,6,6]C[3x6]H)(H)2	H(C[5,6]C[5,3x6]C[5,5,6]H)	H(C[5,6]C[5,3x6]C[5,5,6]H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,3x6]N[5,6,6]C[3x6]H)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[5,6]C[5,3x6]C[5,5,6]H)	H(C[5,6]C[5,3x6]C[5,5,6]H)	109.7810	0.102	2	109.7548	0.277	5	109.4513	0.232	11	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,3x6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,3x6]N[5,6,6]C[3x6]H)(H)2	H(C[5,6]C[5,3x6]C[5,5,6]H)	H(C[5,6]C[5,3x6]C[5,5,6]H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,3x6]N[5,6,6]C[3x6]H)(H)2{1|C<3>,4|C<4>,4|H<1>}	H(C[5,6]C[5,3x6]C[5,5,6]H)	H(C[5,6]C[5,3x6]C[5,5,6]H)	109.7373	0.739	3	109.7548	0.277	5	109.4513	0.232	11	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,3x6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,3x6]C[5,6,6]N[4x6]H)(H)2	H(C[5,6]C[5,3x6]C[5,5,6]H)	H(C[5,6]C[5,3x6]C[5,5,6]H)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,3x6]C[5,6,6]N[4x6]H)(H)2{1|N<2>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,3x6]C[5,5,6]H)	H(C[5,6]C[5,3x6]C[5,5,6]H)	109.5460	0.000	1	109.5460	0.000	1	109.4513	0.232	11	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]B[3x5]C[5,6]C[6a])(C[5,5,6]N[3x5,6]C[5]H)(H)2	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]B[3x5]C[5,6]C[6a])(C[5,5,6]N[3x5,6]C[5]H)(H)2{1|S<2>,2|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	108.4990	0.000	1	108.4990	0.000	1	109.0574	1.027	129	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[3,5,6]O[5,5]H)(C[5,5,6]C[3x5,6]C[5]Br)(H)2	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3,5,6]O[5,5]H)(C[5,5,6]C[3x5,6]C[5]Br)(H)2{2|C<4>,2|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	109.6150	0.000	1	109.6150	0.000	1	109.0574	1.027	129	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[3,5,6]O[5,5]H)(C[5,5,6]C[3x5,6]C[5]Cl)(H)2	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3,5,6]O[5,5]H)(C[5,5,6]C[3x5,6]C[5]Cl)(H)2{1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	111.8280	0.000	1	111.8280	0.000	1	109.0574	1.027	129	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]Br)(C[5,5,6]C[5,6]O[5,5]H)(H)2	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]C[5]Br)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	109.4840	0.055	2	109.4865	0.001	4	109.0574	1.027	129	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]Br)(C[5,5,6]C[5,6]O[5,5]H)(H)2	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]C[5]Br)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	109.5120	0.000	1	109.4865	0.001	4	109.0574	1.027	129	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]Br)(C[5,5,6]C[5,6]O[5,5]H)(H)2	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]C[5]Br)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<3>,1|C<4>,1|S<4>,3|H<1>}	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	109.4660	0.000	1	109.4865	0.001	4	109.0574	1.027	129	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]H)(H)2	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|Br<1>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	105.6180	0.000	1	105.6180	0.000	1	109.0574	1.027	129	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]C)(C[5,5,6]C[5,6]O[5,5]H)(H)2	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]C[5]C)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	109.4190	0.000	1	109.3040	0.012	3	109.0574	1.027	129	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]C)(C[5,5,6]C[5,6]O[5,5]H)(H)2	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]C[5]C)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	109.1960	0.000	1	109.3040	0.012	3	109.0574	1.027	129	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]C)(C[5,5,6]C[5,6]O[5,5]H)(H)2	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]C[5]C)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|N<3>,2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	109.2970	0.000	1	109.3040	0.012	3	109.0574	1.027	129	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]Cl)(C[5,5,6]C[5,6]O[5,5]C)(H)2	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]C[5]Cl)(C[5,5,6]C[5,6]O[5,5]C)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	109.4625	0.120	2	109.4625	0.014	2	109.0574	1.027	129	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]Cl)(C[5,5,6]C[5,6]O[5,5]H)(H)2	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]C[5]Cl)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	109.4950	0.000	1	107.8200	8.635	3	109.0574	1.027	129	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]Cl)(C[5,5,6]C[5,6]O[5,5]H)(H)2	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]C[5]Cl)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	104.4270	0.000	1	107.8200	8.635	3	109.0574	1.027	129	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]Cl)(C[5,5,6]C[5,6]O[5,5]H)(H)2	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]C[5]Cl)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<3>,1|C<4>,1|S<4>,3|H<1>}	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	109.5380	0.000	1	107.8200	8.635	3	109.0574	1.027	129	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	107.3190	0.000	1	108.4344	5.834	7	109.0574	1.027	129	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|C<4>,1|N<3>,1|O<1>,5|H<1>}	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	109.0700	0.000	1	108.4344	5.834	7	109.0574	1.027	129	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|O<1>,2|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	109.1790	0.091	2	108.4344	5.834	7	109.0574	1.027	129	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|Se<2>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	109.0010	0.000	1	108.4344	5.834	7	109.0574	1.027	129	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{4|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	107.6465	5.539	2	108.4344	5.834	7	109.0574	1.027	129	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]N[5,5]H)(H)2	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]N[5,5]H)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	107.5920	0.000	1	107.5920	0.000	1	109.0574	1.027	129	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(H)2	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	109.3815	0.037	2	109.3815	0.001	2	109.0574	1.027	129	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(H)2	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|Br<1>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	109.4525	0.039	2	109.5472	0.093	6	109.0574	1.027	129	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(H)2	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	109.7810	0.544	2	109.5472	0.093	6	109.0574	1.027	129	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(H)2	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	109.4250	0.000	1	109.5472	0.093	6	109.0574	1.027	129	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(H)2	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<4>,1|I<1>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	109.3910	0.000	1	109.5472	0.093	6	109.0574	1.027	129	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]O)(C[5,5,6]C[5,5]C[5,6]H)(H)2	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]C[5]O)(C[5,5,6]C[5,5]C[5,6]H)(H)2{4|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	107.8235	3.120	2	107.8235	9.737	2	109.0574	1.027	129	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|C<3>,1|S<4>,2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	109.2672	0.112	57	109.2261	0.081	62	109.0574	1.027	129	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	107.3700	0.000	1	109.2261	0.081	62	109.0574	1.027	129	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|S<2>,1|S<4>,2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	109.1730	0.000	1	109.2261	0.081	62	109.0574	1.027	129	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|S<4>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	108.9785	0.742	2	109.2261	0.081	62	109.0574	1.027	129	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	109.2880	0.000	1	109.2261	0.081	62	109.0574	1.027	129	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]N[5]O)(C[5,5,6]C[5,5]C[5,6]H)(H)2	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]N[5]O)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|C<4>,2|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	109.3560	0.000	1	109.3560	0.000	1	109.0574	1.027	129	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	108.3118	2.287	5	108.6387	3.810	7	109.0574	1.027	129	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|S<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	109.6440	0.000	1	108.6387	3.810	7	109.0574	1.027	129	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|S<4>,2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	109.2680	0.000	1	108.6387	3.810	7	109.0574	1.027	129	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[4,5,6]C[5,5]Br)(C[5,5,6]C[3x5,6]C[5]H)(H)2	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[4,5,6]C[5,5]Br)(C[5,5,6]C[3x5,6]C[5]H)(H)2{1|Br<1>,4|C<4>,4|O<2>}	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	109.0160	0.000	1	109.0160	0.000	1	109.0574	1.027	129	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,5,6]C[3x5,6]O[5]H)(H)2	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,5,6]C[3x5,6]O[5]H)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	109.0870	0.000	1	109.0870	0.000	1	109.0574	1.027	129	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6,6]O[5]2)(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[5,5,6,6]O[5]2)(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{2|C<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	107.6720	0.000	1	107.6720	0.000	1	109.0574	1.027	129	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[3x5,6]C[5]H)(H)2	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[3x5,6]C[5]H)(H)2{1|N<2>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	109.1670	0.000	1	109.1670	0.000	1	109.0574	1.027	129	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5]C[5,6]C)(H)2	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5]C[5,6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	109.0380	0.000	1	108.9410	0.019	2	109.0574	1.027	129	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5]C[5,6]C)(H)2	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5]C[5,6]C)(H)2{1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	108.8440	0.000	1	108.9410	0.019	2	109.0574	1.027	129	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5]C[5,6]H)(H)2	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	109.0043	0.044	3	109.0043	0.002	3	109.0574	1.027	129	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[5,5,6]C[5,5]C[5,6]H)(H)2	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	108.9980	0.000	1	108.9135	0.014	2	109.0574	1.027	129	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[5,5,6]C[5,5]C[5,6]H)(H)2	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[5,5,6]C[5,5]C[5,6]H)(H)2{2|C<4>,2|H<1>,3|C<3>,3|O<2>}	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	108.8290	0.000	1	108.9135	0.014	2	109.0574	1.027	129	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5,5,6]C[5,5]C[5,6]C)(H)2	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5,5,6]C[5,5]C[5,6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	109.0490	0.000	1	108.9070	0.016	4	109.0574	1.027	129	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5,5,6]C[5,5]C[5,6]C)(H)2	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5,5,6]C[5,5]C[5,6]C)(H)2{1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	108.8597	0.103	3	108.9070	0.016	4	109.0574	1.027	129	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5,5,6]C[5,5]C[5,6]H)(H)2	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	108.9625	0.004	2	109.0278	0.004	5	109.0574	1.027	129	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5,5,6]C[5,5]C[5,6]H)(H)2	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|C<3>,1|O<1>,3|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	109.0370	0.000	1	109.0278	0.004	5	109.0574	1.027	129	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5,5,6]C[5,5]C[5,6]H)(H)2	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|C<4>,2|O<1>,2|O<2>,5|H<1>}	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	109.0890	0.000	1	109.0278	0.004	5	109.0574	1.027	129	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5,5,6]C[5,5]C[5,6]H)(H)2	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|O<1>,2|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	109.0880	0.000	1	109.0278	0.004	5	109.0574	1.027	129	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5]S[5])(C[5,5,6]C[5,5]C[5,6]H)(H)2	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[5,5,6]C[5]S[5])(C[5,5,6]C[5,5]C[5,6]H)(H)2{2|O<1>,3|H<1>,7|C<4>}	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	108.8260	0.000	1	108.8260	0.000	1	109.0574	1.027	129	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5]2)(C[5,5,6]C[5,5]C[5,6]H)(H)2	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[5,5,6]O[5]2)(C[5,5,6]C[5,5]C[5,6]H)(H)2{2|H<1>,6|C<4>}	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	109.1380	0.000	1	109.1380	0.000	1	109.0574	1.027	129	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,5,6]C[3x5,6]C[5]H)(H)2	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,5,6]C[3x5,6]C[5]H)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	109.2575	0.067	2	109.2575	0.005	2	109.0574	1.027	129	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,5,6]N[3x5,6]C[5]H)(H)2	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,5,6]N[3x5,6]C[5]H)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]2H)	H(C[5,6]C[5,5,6]2H)	109.5240	0.000	1	109.5240	0.000	1	109.0574	1.027	129	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[3,5,6]O[5,5]H)(C[5,6,6]C[5,5,6,6]C[6]H)(H)2	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[3,5,6]O[5,5]H)(C[5,6,6]C[5,5,6,6]C[6]H)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	109.9040	1.657	2	109.9040	2.747	2	109.5562	0.356	42	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,6,6]C[5,6,6]C[3x6]O)(H)2	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,6,6]C[5,6,6]C[3x6]O)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	111.3115	0.617	2	110.5262	0.935	5	109.5562	0.356	42	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,6,6]C[5,6,6]C[3x6]O)(H)2	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,6,6]C[5,6,6]C[3x6]O)(H)2{1|C<3>,1|N<4>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	110.0027	0.808	3	110.5262	0.935	5	109.5562	0.356	42	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]O)(C[5,6,6]C[5,5,6,6]C[6]H)(H)2	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]O)(C[5,6,6]C[5,5,6,6]C[6]H)(H)2{4|H<1>,5|C<4>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	110.2250	0.000	1	110.2250	0.000	1	109.5562	0.356	42	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6,6]O[5,6]H)(C[5,6,6]C[5,6,6]O[6,6]C)(H)2	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,5,6,6]O[5,6]H)(C[5,6,6]C[5,6,6]O[6,6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	109.5680	0.000	1	109.5680	0.000	1	109.5562	0.356	42	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[3x6]C[5,6]H)(H)2	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[3x6]C[5,6]H)(H)2{3|C<4>,6|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	109.1900	0.000	1	109.1900	0.000	1	109.5562	0.356	42	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[5,5,6,6]C[6]C)(H)2	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[5,5,6,6]C[6]C)(H)2{1|C<4>,2|C<3>,2|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	108.9340	0.000	1	108.9340	0.000	1	109.5562	0.356	42	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5a])(C[5,6,6]C[5,6]C[6,6]H)(H)2	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5a])(C[5,6,6]C[5,6]C[6,6]H)(H)2{1|N<2>,1|N<3>,2|C<4>,7|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	109.6015	0.128	2	109.6015	0.016	2	109.5562	0.356	42	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[3x6]C[5,6]H)(H)2	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[3x6]C[5,6]H)(H)2{4|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	109.2900	0.000	1	109.2900	0.000	1	109.5562	0.356	42	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[3x6]O[5,6]H)(H)2	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[3x6]O[5,6]H)(H)2{3|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	109.6367	0.018	3	109.6367	0.000	3	109.5562	0.356	42	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,5,6,6]O[6]H)(H)2	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,5,6,6]O[6]H)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	109.1280	0.000	1	109.1280	0.000	1	109.5562	0.356	42	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,6]C[6,6]H)(H)2	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,6]C[6,6]H)(H)2{1|C<3>,2|C<4>,6|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	109.4110	0.300	2	109.4110	0.090	2	109.5562	0.356	42	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,6]N[6,6]H)(H)2	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,6]N[6,6]H)(H)2{1|Fe<5>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	109.4780	0.006	2	109.4780	0.000	2	109.5562	0.356	42	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[6,6]O[5,6]C)(H)2	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[6,6]O[5,6]C)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	109.4105	0.097	2	109.4105	0.009	2	109.5562	0.356	42	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[6,6]O[5,6]H)(H)2	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[6,6]O[5,6]H)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	109.6840	0.000	1	109.6575	0.001	2	109.5562	0.356	42	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[6,6]O[5,6]H)(H)2	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[6,6]O[5,6]H)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	109.6310	0.000	1	109.6575	0.001	2	109.5562	0.356	42	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	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]C)(H)2	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	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]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	109.2300	0.000	1	109.2300	0.000	1	109.5562	0.356	42	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]O)(C[5,6,6]C[5,6]C[6,6]H)(H)2	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]O)(C[5,6,6]C[5,6]C[6,6]H)(H)2{1|O<2>,2|C<4>,6|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	109.5607	0.089	3	109.5607	0.008	3	109.5562	0.356	42	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6]C[3x5,6,6]C[6]C)(H)2	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6]C[3x5,6,6]C[6]C)(H)2{2|C<4>,2|N<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	109.1523	0.099	4	109.1523	0.010	4	109.5562	0.356	42	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6]C[3x5,6,6]C[6]H)(H)2	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6]C[3x5,6,6]C[6]H)(H)2{2|C<4>,2|N<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	109.0930	0.000	1	109.0930	0.000	1	109.5562	0.356	42	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6]C[5,5,6,6]C[6]C)(H)2	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6]C[5,5,6,6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<2>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	109.2370	0.000	1	109.3180	0.013	2	109.5562	0.356	42	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6]C[5,5,6,6]C[6]C)(H)2	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6]C[5,5,6,6]C[6]C)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	109.3990	0.000	1	109.3180	0.013	2	109.5562	0.356	42	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[5,6]C[6,6]C)(H)2	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[5,6]C[6,6]C)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	109.2520	0.000	1	109.1775	0.011	2	109.5562	0.356	42	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[5,6]C[6,6]C)(H)2	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[5,6]C[6,6]C)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	109.1030	0.000	1	109.1775	0.011	2	109.5562	0.356	42	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6]C[5,5,6,6]C[6]H)(H)2	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6]C[5,5,6,6]C[6]H)(H)2{1|S<4>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	109.1080	0.000	1	109.1080	0.000	1	109.5562	0.356	42	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6,6]N[5,5,6]C[6]2)(H)2	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6,6]N[5,5,6]C[6]2)(H)2{1|C<4>,2|O<2>,6|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	109.4620	0.000	1	109.4620	0.000	1	109.5562	0.356	42	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]S)(C[5,6,6]N[5,5,6]C[6]2)(H)2	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]S)(C[5,6,6]N[5,5,6]C[6]2)(H)2{1|S<4>,4|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	109.3830	0.000	1	109.3830	0.000	1	109.5562	0.356	42	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(H)2{1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.5505	0.090	4	108.5644	0.007	5	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(H)2{1|Pt<4>,1|C<4>,1|H<1>,2|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.6200	0.000	1	108.5644	0.007	5	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]B[5,5]C[5,6]Si)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]B[5,5]C[5,6]Si)(C[5,6]C[5,5,6]HH)(H)2{1|Si<4>,1|B<3>,2|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.5570	0.000	1	108.5560	0.000	2	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]B[5,5]C[5,6]Si)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]B[5,5]C[5,6]Si)(C[5,6]C[5,5,6]HH)(H)2{1|Si<4>,3|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.5550	0.000	1	108.5560	0.000	2	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[3,5,5]N[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[3,5,5]N[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.9260	0.000	1	108.9260	0.000	1	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[3,5,6]C[5,5]C[6a])(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[3,5,6]C[5,5]C[6a])(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.9894	0.090	5	108.9894	0.008	5	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1042	0.087	5	109.0859	0.005	19	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0830	0.027	2	109.0859	0.005	19	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0360	0.006	2	109.0859	0.005	19	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|P<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0830	0.115	2	109.0859	0.005	19	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0940	0.106	2	109.0859	0.005	19	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0892	0.076	5	109.0859	0.005	19	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0730	0.000	1	109.0859	0.005	19	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[3x5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|F<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0520	0.050	8	109.0491	0.003	14	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[3x5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|I<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0125	0.081	2	109.0491	0.003	14	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[3x5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0735	0.066	2	109.0491	0.003	14	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[3x5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0495	0.074	2	109.0491	0.003	14	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5,6]O)(C[5,6]C[5,5,6,6]CC)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[3x5,6]C[5,6]O)(C[5,6]C[5,5,6,6]CC)(H)2{1|O<1>,2|C<4>,2|O<2>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.9160	0.000	1	108.9160	0.000	1	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[3x5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.4400	0.085	12	109.4400	0.007	12	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5]C[5]C[6])(C[5,6]C[6,6a]C[5,5]H)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[3x5]C[5]C[6])(C[5,6]C[6,6a]C[5,5]H)(H)2{1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.2230	0.000	1	109.2230	0.000	1	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[4,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[4,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.9670	0.000	1	108.9670	0.000	1	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0452	0.080	10	108.6912	1.923	13	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	107.5960	0.000	1	108.6912	1.923	13	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	107.4690	4.193	2	108.6912	1.923	13	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0960	0.000	1	109.0960	0.000	1	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,3x6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,3x6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|B<4>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0830	0.051	2	109.0883	0.001	6	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,3x6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,3x6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0910	0.022	4	109.0883	0.001	6	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,3x6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,3x6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0840	0.139	2	109.0840	0.019	2	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0650	0.000	1	108.8794	0.282	16	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0750	0.042	2	108.8794	0.282	16	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|N<3>,5|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1930	0.003	2	108.8794	0.282	16	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	107.7740	0.977	2	108.8794	0.282	16	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.9913	0.225	9	108.8794	0.282	16	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]O)(C[5,6]C[5,5,6,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]O)(C[5,6]C[5,5,6,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.5100	0.000	1	108.5100	0.000	1	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.8665	4.328	4	109.8665	18.732	4	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]2H)(C[5,6]C[5,5,6,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]2H)(C[5,6]C[5,5,6,6]HH)(H)2{2|C<3>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0300	0.000	1	109.0300	0.000	1	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.8960	0.077	4	108.7894	0.634	19	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0390	0.000	1	108.7894	0.634	19	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.9360	0.000	1	108.7894	0.634	19	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|S<4>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1900	0.000	1	108.7894	0.634	19	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.9155	0.013	2	108.7894	0.634	19	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	107.2520	2.451	2	108.7894	0.634	19	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.9894	0.054	8	108.7894	0.634	19	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6]C[5,5,6]CH)(H)2{1|Cl<1>,1|C<3>,1|C<4>,3|O<2>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.8750	0.000	2	108.8750	0.000	2	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6]C[5,5,6]HO)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6]C[5,5,6]HO)(H)2{1|Cl<1>,1|C<3>,1|C<4>,3|O<2>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.9310	0.000	2	108.9310	0.000	2	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.7460	0.000	1	108.7460	0.000	1	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|B<4>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1680	0.000	1	108.8967	0.772	124	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.9330	0.000	1	108.8967	0.772	124	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1565	0.005	2	108.8967	0.772	124	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	106.3140	0.000	1	108.8967	0.772	124	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.8653	0.962	51	108.8967	0.772	124	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0730	0.065	2	108.8967	0.772	124	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0705	0.086	2	108.8967	0.772	124	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|P<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1535	0.063	2	108.8967	0.772	124	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	106.2470	0.000	1	108.8967	0.772	124	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0880	0.027	3	108.8967	0.772	124	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0653	0.055	9	108.8967	0.772	124	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0471	0.050	7	108.8967	0.772	124	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|P<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0340	0.000	1	108.8967	0.772	124	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|S<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.3440	0.000	1	108.8967	0.772	124	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0720	0.044	2	108.8967	0.772	124	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Cr<10>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.9835	0.097	2	108.8967	0.772	124	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Fe<10>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.9500	0.007	2	108.8967	0.772	124	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|N<3>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1405	0.067	8	108.8967	0.772	124	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Se<2>,1|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1110	0.000	1	108.8967	0.772	124	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Si<4>,1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0230	0.112	2	108.8967	0.772	124	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Ti<8>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1383	0.299	7	108.8967	0.772	124	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,2|O<2>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1600	0.000	1	108.8967	0.772	124	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.9535	0.013	4	108.8967	0.772	124	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.2170	0.000	1	108.8967	0.772	124	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1157	0.181	7	108.8967	0.772	124	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|O<2>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	107.2217	3.373	3	108.8967	0.772	124	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(H)2{1|C<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.4030	0.000	1	108.4030	0.000	1	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]SiH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]SiH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.4800	0.006	2	109.4800	0.000	2	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]O)(C[5,6]C[5,5,6]CC)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]O)(C[5,6]C[5,5,6]CC)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.8580	0.000	1	109.8580	0.000	1	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6]C[5,5,6,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6]C[5,5,6,6]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.9220	0.000	1	108.9220	0.000	1	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]HH)(H)2{1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.2070	0.000	1	109.1785	0.002	2	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]HH)(H)2{1|C<4>,1|P<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1500	0.000	1	109.1785	0.002	2	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6]CC)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6]CC)(H)2{1|C<3>,2|O<2>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.9340	0.000	1	108.9340	0.000	1	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.5043	0.086	3	109.5043	0.007	3	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5]C[6]H)(H)2{1|O<2>,2|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.3840	0.000	1	109.3840	0.000	1	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]O)(C[5,6]N[5,5,6,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]O)(C[5,6]N[5,5,6,6]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	107.2760	0.000	1	107.2760	0.000	1	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.6060	0.000	1	109.6060	0.000	1	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]N[5,5]C[6a])(C[5,6]P[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]N[5,5]C[6a])(C[5,6]P[5,5,6]HH)(H)2{1|C<4>,1|H<1>,1|W<6>,4|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.3415	0.040	2	108.3415	0.002	2	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.3125	0.094	4	109.3022	0.007	5	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.2610	0.000	1	109.3022	0.007	5	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C[6a])(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C[6a])(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.2010	0.000	1	109.2010	0.000	1	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1640	0.000	1	109.1640	0.000	1	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.5965	0.743	16	109.5513	0.472	19	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.3100	0.006	3	109.5513	0.472	19	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]2)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]2)(C[5,6]C[5,5,6]HH)(H)2{1|O<1>,1|S<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.8950	0.000	1	108.8950	0.000	1	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[3x5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[3x5,6]HH)(H)2{1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.9733	0.105	4	108.9733	0.011	4	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C[6a]H)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C[6a]H)(H)2{1|H<1>,1|O<1>,2|C<4>,3|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.7370	0.000	1	108.7370	0.000	1	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]Cl2)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]Cl2)(H)2{1|Cl<1>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	112.4670	8.051	2	112.4670	64.820	2	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<2>,1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.9504	0.073	11	108.8497	2.375	306	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<2>,1|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0100	0.000	1	108.8497	2.375	306	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.9810	0.000	1	108.8497	2.375	306	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.9272	0.184	16	108.8497	2.375	306	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	110.9340	0.000	1	108.8497	2.375	306	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.6790	0.000	1	108.8497	2.375	306	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.9324	0.232	9	108.8497	2.375	306	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.9235	0.100	12	108.8497	2.375	306	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.9843	1.372	13	108.8497	2.375	306	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|P<4>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.9890	0.000	1	108.8497	2.375	306	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|S<2>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0230	0.130	2	108.8497	2.375	306	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.9871	1.126	69	108.8497	2.375	306	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.9125	0.021	2	108.8497	2.375	306	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.8680	0.000	1	108.8497	2.375	306	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<1>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.9130	0.000	1	108.8497	2.375	306	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.3416	1.733	7	108.8497	2.375	306	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|N<2>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.5870	1.583	15	108.8497	2.375	306	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.9307	0.062	4	108.8497	2.375	306	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.9465	0.128	82	108.8497	2.375	306	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.9963	0.054	4	108.8497	2.375	306	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.9060	0.000	1	108.8497	2.375	306	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.8570	0.000	1	108.8497	2.375	306	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|N<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.9055	0.214	2	108.8497	2.375	306	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|N<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.9024	0.075	8	108.8497	2.375	306	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|N<4>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.4553	0.918	4	108.8497	2.375	306	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|O<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1390	0.000	1	108.8497	2.375	306	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1505	0.548	2	108.8497	2.375	306	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.9910	0.000	1	108.8497	2.375	306	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.5209	3.876	28	108.8497	2.375	306	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	104.2980	0.000	1	108.8497	2.375	306	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|S<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0780	0.000	1	108.8497	2.375	306	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|Sn<4>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	103.8131	8.067	2	108.8497	2.375	306	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.9350	0.000	1	108.8497	2.375	306	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HN)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HN)(H)2{1|C<3>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1122	0.039	5	109.1122	0.002	5	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]CH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]CH)(H)2{1|O<1>,5|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	110.7870	0.000	1	110.7870	0.000	1	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]C[6a]H)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]C[6a]H)(H)2{1|O<1>,7|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.7783	0.056	3	108.7783	0.003	3	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]HI)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]HI)(H)2{1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1290	0.045	2	109.1290	0.002	2	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]CH)(H)2{4|Cl<1>,1|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.8060	0.000	1	109.8060	0.000	1	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.2180	0.000	1	109.2180	0.000	1	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2{1|Br<1>,1|C<3>,1|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.9410	0.000	1	108.8937	0.562	76	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.6353	1.602	3	108.8937	0.562	76	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2{1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	105.4480	1.058	2	108.8937	0.562	76	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2{1|N<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.5097	0.571	6	108.8937	0.562	76	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2{1|O<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	107.5795	0.934	2	108.8937	0.562	76	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2{2|Cl<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.9830	0.000	1	108.8937	0.562	76	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1012	0.208	59	108.8937	0.562	76	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(H)2{2|O<2>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0020	0.008	2	108.8937	0.562	76	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1440	0.076	4	109.1440	0.006	4	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CC)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CC)(H)2{1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.8320	0.136	2	108.9103	0.028	3	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CC)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CC)(H)2{1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0670	0.000	1	108.9103	0.028	3	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0250	0.000	1	109.1178	0.143	32	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.3947	0.092	3	109.1178	0.143	32	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.2906	0.322	8	109.1178	0.143	32	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0603	0.115	3	109.1178	0.143	32	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.9821	0.493	13	109.1178	0.143	32	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2{1|Pd<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1295	0.071	2	109.1178	0.143	32	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2{2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0330	0.000	1	109.1178	0.143	32	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(H)2{2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.9960	0.000	1	109.1178	0.143	32	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CN)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CN)(H)2{1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0550	0.000	1	108.1125	1.777	2	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CN)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CN)(H)2{1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	107.1700	0.000	1	108.1125	1.777	2	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CO)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CO)(H)2{1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	105.0680	0.000	1	108.9417	0.741	28	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CO)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CO)(H)2{1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.9950	0.000	1	108.9417	0.741	28	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CO)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CO)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.8465	0.223	2	108.9417	0.741	28	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CO)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CO)(H)2{2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1089	0.431	24	108.9417	0.741	28	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CS)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CS)(H)2{1|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.9700	0.000	1	108.9700	0.000	1	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[4]O)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[4]O)(H)2{1|Co<9>,2|H<1>,6|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0150	0.044	2	109.0150	0.002	2	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[5a]H)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[5a]H)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0020	0.000	1	109.0250	0.001	2	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[5a]H)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[5a]H)(H)2{1|N<3>,2|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0480	0.000	1	109.0250	0.001	2	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[5a]O)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[5a]O)(H)2{1|N<2>,1|N<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.9375	0.101	2	108.9375	0.010	2	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6]H)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6]H)(H)2{1|N<3>,2|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.1860	0.000	1	108.1860	0.000	1	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6]O)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6]O)(H)2{3|H<1>,6|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.8330	0.000	1	108.8330	0.000	1	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.8780	0.000	1	109.0769	0.017	10	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2{1|C<3>,1|C<4>,1|N<2>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1850	0.000	1	109.0769	0.017	10	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2{1|C<4>,2|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0910	0.000	1	109.0769	0.017	10	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2{1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.9040	0.000	1	109.0769	0.017	10	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0397	0.033	3	109.0769	0.017	10	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2{3|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1973	0.112	3	109.0769	0.017	10	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]O)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]O)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	105.8280	0.000	1	105.8280	0.000	1	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]Cl2)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]Cl2)(H)2{2|Cl<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0440	0.000	1	109.0440	0.000	1	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]ClH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]ClH)(H)2{2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	113.5785	7.312	2	113.5785	53.468	2	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Ag<6>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0805	0.012	2	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|B<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1330	0.000	1	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|B<4>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0140	0.079	2	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0408	0.028	4	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Br<1>,1|C<3>,1|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0745	0.021	2	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<2>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.2240	0.175	2	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0230	0.072	2	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|I<1>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0245	0.088	4	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.7428	5.740	4	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.9930	0.000	1	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	107.7437	2.359	7	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.4588	1.650	31	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.9295	0.076	2	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|P<4>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1635	0.033	2	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1310	0.000	1	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<2>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0803	0.023	3	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0465	0.060	2	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.9392	0.204	5	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0577	0.062	3	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0747	0.080	4	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	107.8610	0.870	2	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|O<2>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1330	0.000	1	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|P<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.2330	0.000	1	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|P<4>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1857	0.037	3	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|P<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.9705	0.097	2	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|S<2>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1290	0.163	2	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|S<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1530	0.000	1	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|S<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1310	0.000	1	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0694	0.083	9	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0691	1.350	102	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.2220	0.180	2	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.9830	0.000	1	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|I<1>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.9755	0.026	2	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0995	0.039	2	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1040	0.044	5	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	107.9776	1.725	5	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<1>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.8863	0.586	3	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.5501	1.763	9	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|P<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0670	0.110	2	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|P<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1540	0.000	1	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|S<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.9920	0.000	1	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|S<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0570	0.000	1	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0780	0.054	3	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1546	0.313	19	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Cl<1>,1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0923	0.007	3	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Cu<4>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1800	0.056	6	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Cu<6>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0590	0.057	2	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|N<3>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0320	0.003	2	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|S<3>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.5987	1.102	3	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1960	0.004	2	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1700	0.000	1	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,5|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.3593	0.148	3	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Ir<5>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	107.8317	2.417	6	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|N<4>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.8840	0.000	1	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Ni<5>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1073	0.025	3	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.2280	0.027	2	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|P<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.9050	0.000	1	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Pd<4>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1154	0.068	7	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Pd<5>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0930	0.022	4	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Pd<5>,1|C<5>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.9930	0.000	1	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Pd<5>,2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1700	0.000	1	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Pt<5>,1|C<4>,1|O<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0250	0.000	1	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Pt<5>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0780	0.000	1	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Pt<5>,1|C<5>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.2620	0.000	1	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Pt<6>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1830	0.000	1	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Pt<7>,1|C<4>,1|O<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.9350	0.000	1	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Pt<7>,1|C<5>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0740	0.000	1	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Rh<5>,1|C<3>,1|C<4>,1|P<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.4510	0.000	1	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Rh<5>,1|C<4>,1|P<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.4105	0.052	2	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Rh<5>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0950	0.000	1	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|S<3>,2|C<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0570	0.153	2	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Se<3>,1|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.4420	0.000	1	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|Si<4>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.2100	0.000	1	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|W<11>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1320	0.042	2	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|Br<1>,1|C<3>,1|C<4>,1|O<2>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1950	0.000	1	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1255	0.001	2	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1731	0.086	13	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0777	1.009	12	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0023	0.030	3	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.9981	0.228	18	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1134	2.049	103	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1900	0.000	1	108.9951	1.995	481	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0800	0.000	1	109.4414	1.120	14	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(H)2{1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0773	0.122	3	109.4414	1.120	14	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(H)2{2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.5868	1.238	10	109.4414	1.120	14	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2{1|C<3>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.2160	0.000	1	108.4914	8.994	27	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0050	0.072	2	108.4914	8.994	27	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2{1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.5817	0.571	3	108.4914	8.994	27	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2{1|Pd<4>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1100	0.000	1	108.4914	8.994	27	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2{2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.3594	3.490	20	108.4914	8.994	27	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(H)2{1|C<4>,1|P<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1745	0.059	2	109.1745	0.003	2	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HS)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HS)(H)2{1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	107.0930	0.000	1	108.1310	2.155	2	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HS)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HS)(H)2{2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1690	0.000	1	108.1310	2.155	2	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N[5]C)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N[5]C)(H)2{3|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.5130	0.000	1	109.5130	0.000	1	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N[5a]H)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N[5a]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1730	0.000	1	109.1730	0.000	1	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N[6]H)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N[6]H)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1555	0.155	2	109.1555	0.024	2	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]NiH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]NiH)(H)2{1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.3110	0.000	1	109.3110	0.000	1	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]RhH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]RhH)(H)2{1|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.9880	0.008	2	108.9880	0.000	2	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]SnH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]SnH)(H)2{2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	116.9780	10.448	2	116.9780	109.165	2	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.3850	0.059	2	109.4190	0.005	3	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(H)2{3|H<1>,5|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.4870	0.000	1	109.4190	0.005	3	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]N[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]N[5,5,6]HH)(H)2{1|B<4>,1|C<4>,1|O<1>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0760	0.000	1	109.0760	0.000	1	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]N)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]N)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.9775	0.036	2	108.9775	0.001	2	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]N[5,6])(C[5,6]C[5,6]C[6]C)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]N[5,6])(C[5,6]C[5,6]C[6]C)(H)2{1|C<3>,2|O<2>,3|H<1>,5|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.2420	0.000	1	109.2420	0.000	1	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]Ni)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]Ni)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.4210	0.000	1	109.4210	0.000	1	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1660	0.062	2	109.0450	0.025	4	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<1>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0070	0.000	1	109.0450	0.025	4	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[5,5,6]HH)(H)2{2|Br<1>,1|C<3>,1|H<1>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.8410	0.000	1	109.0450	0.025	4	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]Pd)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]Pd)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.9120	0.000	1	108.9120	0.000	1	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,2|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.4710	0.000	1	109.4710	0.000	1	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,4|H<1>,6|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.4670	0.132	2	106.9131	10.173	7	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|O<2>,2|C<3>,4|H<1>,5|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	102.9095	1.436	2	106.9131	10.173	7	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|O<2>,4|H<1>,7|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	107.2555	2.952	2	106.9131	10.173	7	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|P<4>,4|H<1>,7|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1280	0.000	1	106.9131	10.173	7	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[5,6]C[6]O[5]C)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[5,6]C[6]O[5]C)(H)2{1|C<3>,3|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	110.4300	0.000	1	110.4300	0.000	1	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.3340	0.881	73	109.2507	1.209	76	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1940	0.000	1	109.2507	1.209	76	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0800	0.000	1	109.2507	1.209	76	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	103.4000	0.000	1	109.2507	1.209	76	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[5,6]N[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[5,6]N[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.2960	0.000	1	109.2960	0.000	1	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]P[5,6]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]P[5,6]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.8645	0.067	2	108.8645	0.005	2	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]P[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]P[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.9850	0.000	1	108.9850	0.000	1	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]S[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]S[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0180	0.000	1	109.0180	0.000	1	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5a,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5a,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.8905	0.221	11	108.8905	0.049	11	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5a,6]C[5,5]H)(C[5,6]C[5,5,6]C[6a]H)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5a,6]C[5,5]H)(C[5,6]C[5,5,6]C[6a]H)(H)2{2|H<1>,5|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.9620	0.000	1	108.9620	0.000	1	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5a,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5a,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0383	0.169	11	109.0383	0.029	11	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	106.2355	3.784	2	108.8827	0.809	39	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1416	0.238	16	108.8827	0.809	39	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,2|N<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.9625	0.363	2	108.8827	0.809	39	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|N<2>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.8755	0.056	12	108.8827	0.809	39	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0369	0.158	7	108.8827	0.809	39	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|B<4>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.2080	0.000	1	109.1417	0.262	57	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1217	0.042	4	109.1417	0.262	57	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1098	0.058	13	109.1417	0.262	57	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1050	0.000	2	109.1417	0.262	57	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|P<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0895	0.101	2	109.1417	0.262	57	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0900	0.000	1	109.1417	0.262	57	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.4060	0.344	2	109.1417	0.262	57	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|P<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1470	0.171	2	109.1417	0.262	57	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|S<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.5040	0.095	2	109.1417	0.262	57	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Cr<9>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.7127	2.025	4	109.1417	0.262	57	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|N<3>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.2260	0.000	1	109.1417	0.262	57	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|P<3>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1375	0.023	2	109.1417	0.262	57	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|P<4>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1730	0.000	1	109.1417	0.262	57	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,5|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.5380	0.000	1	109.1417	0.262	57	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|N<2>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1866	0.231	16	109.1417	0.262	57	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1050	0.052	3	109.1417	0.262	57	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]N[5,5]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]N[5,5]H)(C[5,6]C[5,5,6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	107.9920	0.000	1	107.9920	0.000	1	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]O[5,5]C[6a])(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]O[5,5]C[6a])(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.2313	0.022	4	109.2313	0.000	4	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]S[5,5]H)(C[5,6]N[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6]S[5,5]H)(C[5,6]N[5,5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|O<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.8240	0.000	1	108.8240	0.000	1	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.9065	0.051	6	108.9065	0.003	6	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<2>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0382	0.076	5	108.8905	0.769	56	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0930	0.000	1	108.8905	0.769	56	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.8657	0.946	48	108.8905	0.769	56	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,3|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0145	0.050	2	108.8905	0.769	56	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HO)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HO)(H)2{2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1440	0.000	1	109.1440	0.000	1	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]CH)(H)2{1|H<1>,1|S<4>,2|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1350	0.000	1	109.1350	0.000	1	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]HP)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]HP)(H)2{1|H<1>,3|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1595	0.005	2	109.1595	0.000	2	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]CH)(H)2{1|H<1>,2|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.3440	0.000	1	109.3440	0.000	1	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,2|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.3500	0.000	1	109.3500	0.000	1	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]CH)(H)2{1|H<1>,2|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.2430	0.010	2	109.2430	0.000	2	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{3|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.2690	0.000	1	109.2690	0.000	1	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HP)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HP)(H)2{1|H<1>,2|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.3350	0.018	2	109.3350	0.000	2	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HS)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HS)(H)2{1|H<1>,2|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.3710	0.000	1	109.3710	0.000	1	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]S)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]S)(C[5,6]C[5,5,6]CH)(H)2{3|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1710	0.000	1	109.1710	0.000	1	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]C)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]C)(H)2{1|C<3>,1|O<1>,3|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.3823	0.011	3	109.3232	0.046	6	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]C)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]C)(H)2{1|C<3>,1|O<1>,3|C<4>,6|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1390	0.000	1	109.3232	0.046	6	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]C)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]C)(H)2{1|C<4>,1|O<1>,3|C<3>,6|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0210	0.000	1	109.3232	0.046	6	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]C)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]C)(H)2{1|O<1>,3|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.6320	0.000	1	109.3232	0.046	6	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]H)(H)2{1|C<3>,2|O<2>,3|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.3640	0.000	1	109.4758	0.011	5	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]H)(H)2{1|N<3>,1|S<4>,3|C<4>,7|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.4710	0.000	1	109.4758	0.011	5	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]H)(H)2{2|C<3>,3|C<4>,6|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.5245	0.159	2	109.4758	0.011	5	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]H)(H)2{2|C<3>,4|C<4>,6|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.4950	0.000	1	109.4758	0.011	5	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]O)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]O)(H)2{1|C<3>,1|F<1>,4|C<4>,6|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.5270	0.000	1	109.6508	0.063	5	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]O)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]O)(H)2{1|C<3>,1|O<2>,2|H<1>,2|O<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.4750	0.000	1	109.6508	0.063	5	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]O)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]O)(H)2{1|Cl<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	110.0910	0.000	1	109.6508	0.063	5	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]O)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]O)(H)2{2|C<3>,3|C<4>,6|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.5805	0.043	2	109.6508	0.063	5	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]Br)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]Br)(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.2360	0.018	2	109.2360	0.000	2	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]Br)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]Br)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.2460	0.178	2	109.2460	0.032	2	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]BrH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]BrH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1420	0.007	2	109.1420	0.000	2	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1033	0.038	3	109.1033	0.001	3	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.2390	0.000	1	109.0996	0.009	14	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0832	0.115	4	109.0996	0.009	14	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0808	0.105	5	109.0996	0.009	14	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|Si<4>,1|C<3>,1|N<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0690	0.000	3	109.0996	0.009	14	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.2120	0.000	1	109.0996	0.009	14	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]C[6a])(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]C[6a])(C[5,6]C[5,5,6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1380	0.000	1	109.1380	0.000	1	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1120	0.000	1	109.1339	0.002	7	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1375	0.042	6	109.1339	0.002	7	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]C[6a]H)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]C[6a]H)(H)2{1|C<4>,2|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	110.0460	0.000	1	110.0460	0.000	1	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.2650	0.000	1	108.3373	6.944	71	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1680	0.192	2	108.3373	6.944	71	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	107.7173	3.527	36	108.3373	6.944	71	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1500	0.000	1	108.3373	6.944	71	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1388	0.079	5	108.3373	6.944	71	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0895	0.080	2	108.3373	6.944	71	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.6061	1.508	10	108.3373	6.944	71	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1980	0.000	1	108.3373	6.944	71	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,3|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0580	0.000	1	108.3373	6.944	71	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Si<4>,1|C<3>,1|N<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.2300	0.000	2	108.3373	6.944	71	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0725	0.058	10	108.3373	6.944	71	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HO)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HO)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.2380	0.000	1	109.2380	0.000	1	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]Si)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]Si)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0700	0.000	2	109.0574	0.000	5	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]Si)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]Si)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0490	0.000	3	109.0574	0.000	5	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]CC)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]CC)(H)2{1|C<4>,1|O<1>,1|O<2>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.2040	0.000	1	109.2040	0.000	1	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1815	0.050	2	109.2153	0.011	11	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1760	0.000	1	109.2153	0.011	11	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1960	0.000	1	109.2153	0.011	11	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1073	0.049	3	109.2153	0.011	11	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.3278	0.074	4	109.2153	0.011	11	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.1940	0.000	1	109.2183	0.020	10	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.2199	0.158	8	109.2183	0.020	10	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[3x5,6]HH)(H)2{4|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.2300	0.000	1	109.2183	0.020	10	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6,6]HH)(H)2{2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.4040	0.000	1	109.4040	0.000	1	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]BrC)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]BrC)(H)2{1|C<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.4527	0.120	3	109.4527	0.014	3	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.3540	0.024	2	109.7305	0.421	4	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	110.1070	0.834	2	109.7305	0.421	4	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CO)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CO)(H)2{1|C<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	115.0740	0.000	1	115.0740	0.000	1	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.3085	0.055	8	109.2940	0.004	18	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|P<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.4260	0.000	1	109.2940	0.004	18	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Cd<6>,1|C<3>,1|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.2675	0.036	2	109.2940	0.004	18	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Co<6>,1|C<3>,1|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.2737	0.068	3	109.2940	0.004	18	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Mn<6>,1|C<3>,1|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.2695	0.023	2	109.2940	0.004	18	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Ni<6>,1|C<3>,1|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.2515	0.047	2	109.2940	0.004	18	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HP)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HP)(H)2{1|C<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.3570	0.049	2	109.3560	0.002	4	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HP)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HP)(H)2{1|C<4>,1|H<1>,1|O<2>,1|P<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.3990	0.000	1	109.3560	0.002	4	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HP)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HP)(H)2{1|C<4>,1|P<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.3110	0.000	1	109.3560	0.002	4	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]N[5,5,6]C[5]H)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]N[5,5,6]C[5]H)(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.4820	0.000	1	109.4820	0.000	1	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]P)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]P)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|P<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.4900	0.000	1	109.4900	0.000	1	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]P)(C[5,6]C[5,5,6]HO)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]P)(C[5,6]C[5,5,6]HO)(H)2{1|C<4>,1|P<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0270	0.000	1	109.0270	0.000	1	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]CH)(H)2{1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.6644	0.042	5	108.6644	0.002	5	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.6320	0.025	2	108.6320	0.001	2	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HP)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HP)(H)2{1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.6620	0.000	1	108.7805	0.028	2	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HP)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HP)(H)2{1|Ru<8>,1|C<4>,1|H<1>,2|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.8990	0.000	1	108.7805	0.028	2	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HS)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HS)(H)2{1|Pt<4>,1|C<4>,1|H<1>,2|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.7104	0.026	5	108.7104	0.001	5	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]S[5,5]H)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]S[5,5]H)(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.8390	0.000	1	108.8390	0.000	1	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]S[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]S[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Pd<4>,1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.6286	0.561	8	109.5500	0.240	11	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]S[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]S[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|Pt<4>,1|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.3403	0.077	3	109.5500	0.240	11	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]S[5,5]H)(C[5,6]N[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,6]S[5,5]H)(C[5,6]N[5,5,6]HH)(H)2{1|C<4>,2|H<1>,2|O<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.8840	0.000	1	108.8840	0.000	1	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]N[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.0530	0.000	1	109.0530	0.000	1	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{2|O<1>,3|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.6010	0.000	1	109.6010	0.000	1	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,5]N[5,6]C)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]N[5,5]N[5,6]C)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.3010	0.000	1	109.3010	0.000	1	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,5a,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]N[5,5a,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(H)2{1|Si<4>,1|C<3>,1|N<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	109.2680	0.000	1	109.2680	0.000	1	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,6]S[5,5]C)(C[5,6]C[5,5,6]CH)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]N[5,6]S[5,5]C)(C[5,6]C[5,5,6]CH)(H)2{3|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	108.7260	0.000	1	108.7260	0.000	1	108.9810	1.924	1841	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:N[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5,5,6]C[3x5,6]C[5]H)(H)2	H(C[5,6]C[5,5,6]N[5,5,6]H)	H(C[5,6]C[5,5,6]N[5,5,6]H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5,5,6]C[3x5,6]C[5]H)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]N[5,5,6]H)	H(C[5,6]C[5,5,6]N[5,5,6]H)	109.2050	0.000	1	109.2050	0.000	1	109.2050	0.000	1	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:N[5,6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(N[5,6,6]C[5,5,4x6]C[6]H)(H)2	H(C[5,6]C[5,5,6]N[5,6,6]H)	H(C[5,6]C[5,5,6]N[5,6,6]H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(N[5,6,6]C[5,5,4x6]C[6]H)(H)2{4|H<1>,5|C<4>}	H(C[5,6]C[5,5,6]N[5,6,6]H)	H(C[5,6]C[5,5,6]N[5,6,6]H)	109.1830	0.000	1	109.1830	0.000	1	109.1830	0.000	1	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:N[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(N[5,6]C[5,5,6]HH)(H)2	H(C[5,6]C[5,5,6]N[5,6]H)	H(C[5,6]C[5,5,6]N[5,6]H)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(N[5,6]C[5,5,6]HH)(H)2{1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]N[5,6]H)	H(C[5,6]C[5,5,6]N[5,6]H)	109.1375	0.105	2	109.1375	0.011	2	109.1375	0.011	2	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:P[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]O[5]C)(P[5,5,6]C[5,5]C[5,6]S)(H)2	H(C[5,6]C[5,5,6]P[5,5,6]H)	H(C[5,6]C[5,5,6]P[5,5,6]H)	C[5,6](C[5,5,6]C[3x5,6]O[5]C)(P[5,5,6]C[5,5]C[5,6]S)(H)2{3|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]P[5,5,6]H)	H(C[5,6]C[5,5,6]P[5,5,6]H)	108.8345	3.734	4	108.8345	13.946	4	108.8345	13.946	4	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:P[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(P[5,6]C[5,5,6]C[6a]O)(H)2	H(C[5,6]C[5,5,6]P[5,6]H)	H(C[5,6]C[5,5,6]P[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(P[5,6]C[5,5,6]C[6a]O)(H)2{1|C<4>,2|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]P[5,6]H)	H(C[5,6]C[5,5,6]P[5,6]H)	109.1290	0.000	1	109.0355	0.006	4	109.0383	0.007	7	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:P[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(P[5,6]C[5,5,6]C[6a]O)(H)2	H(C[5,6]C[5,5,6]P[5,6]H)	H(C[5,6]C[5,5,6]P[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(P[5,6]C[5,5,6]C[6a]O)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]P[5,6]H)	H(C[5,6]C[5,5,6]P[5,6]H)	109.0043	0.053	3	109.0355	0.006	4	109.0383	0.007	7	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:P[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(P[5,6]C[5,5,6]C[6a]O)(H)2	H(C[5,6]C[5,5,6]P[5,6]H)	H(C[5,6]C[5,5,6]P[5,6]H)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(P[5,6]C[5,5,6]C[6a]O)(H)2{1|C<4>,1|S<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]P[5,6]H)	H(C[5,6]C[5,5,6]P[5,6]H)	109.1015	0.059	2	109.1015	0.003	2	109.0383	0.007	7	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:P[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(P[5,6]C[5,5,6]ClW)(H)2	H(C[5,6]C[5,5,6]P[5,6]H)	H(C[5,6]C[5,5,6]P[5,6]H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(P[5,6]C[5,5,6]ClW)(H)2{5|C<3>}	H(C[5,6]C[5,5,6]P[5,6]H)	H(C[5,6]C[5,5,6]P[5,6]H)	108.9230	0.000	1	108.9230	0.000	1	109.0383	0.007	7	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:S[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(S[5,6]N[5,5,6]OO)(H)2	H(C[5,6]C[5,5,6]S[5,6]H)	H(C[5,6]C[5,5,6]S[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(S[5,6]N[5,5,6]OO)(H)2{1|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]S[5,6]H)	H(C[5,6]C[5,5,6]S[5,6]H)	109.3100	0.000	1	109.3100	0.000	1	109.3100	0.000	1	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[3x5,6,6]C[6]H)(C[5,5,6]C[5,6]O[5,5]C)(H)2	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,6,6]C[3x5,6,6]C[6]H)(C[5,5,6]C[5,6]O[5,5]C)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	107.4490	0.000	1	107.4490	0.000	1	109.3710	2.013	25	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,3x6]C[6,6a]H)(C[5,5,6]C[5,6]O[5,5]C)(H)2	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,6,6]C[5,5,3x6]C[6,6a]H)(C[5,5,6]C[5,6]O[5,5]C)(H)2{1|O<1>,2|C<3>,2|N<3>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	109.2900	0.000	1	109.2900	0.000	1	109.3710	2.013	25	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[5,6,6]O)(C[5,5,6]C[5,5]O[5,6]H)(H)2	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,6,6]C[5,5,6,6]C[5,6,6]O)(C[5,5,6]C[5,5]O[5,6]H)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	109.2790	0.098	4	109.2790	0.010	4	109.3710	2.013	25	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[5,5,6]C[5,5,6]O[5,5]H)(H)2	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[5,5,6]C[5,5,6]O[5,5]H)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	109.1575	0.016	2	109.1575	0.000	2	109.3710	2.013	25	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6a]H)(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6a]H)(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{1|C<4>,1|P<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	109.0240	0.000	1	109.0240	0.000	1	109.3710	2.013	25	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[6]C)(C[5,5,6]C[5,6]O[5,5]H)(H)2	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]C)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	113.9430	0.000	1	113.9430	0.000	1	109.3710	2.013	25	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[3x5]O[5,6]O)(H)2	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[3x5]O[5,6]O)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	108.9120	0.000	1	108.9120	0.000	1	109.3710	2.013	25	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]C[5,6]C)(H)2	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]C[5,6]C)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	108.3870	0.000	1	108.3870	0.000	1	109.3710	2.013	25	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|O<1>,2|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	108.9800	0.000	1	108.9800	0.000	1	109.3710	2.013	25	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]O[5,6]H)(H)2	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]O[5,6]H)(H)2{1|Br<1>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	109.3510	0.000	1	107.8990	4.217	2	109.3710	2.013	25	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]O[5,6]H)(H)2	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]O[5,6]H)(H)2{2|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	106.4470	0.000	1	107.8990	4.217	2	109.3710	2.013	25	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,6]O[5,5]H)(H)2	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	109.4610	0.000	1	109.3515	0.024	2	109.3710	2.013	25	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,6]O[5,5]H)(H)2	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	109.2420	0.000	1	109.3515	0.024	2	109.3710	2.013	25	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[6]S)(C[5,5,6]C[5,6]O[5,5]H)(H)2	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]S)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	112.8260	0.000	1	112.8260	0.000	1	109.3710	2.013	25	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]N[6]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,6,6]C[5,5,6,6]N[6]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|S<4>,2|H<1>,5|C<4>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	109.1690	0.000	1	109.1690	0.000	1	109.3710	2.013	25	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]S[6]H)(C[5,5,6]C[5,6]O[5,5]H)(H)2	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,6,6]C[5,5,6,6]S[6]H)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|O<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	109.3920	0.000	1	109.3920	0.000	1	109.3710	2.013	25	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6]C[6]O[6])(C[5,5,6]C[5,6]O[5,5]C)(H)2	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,6,6]C[5,5,6]C[6]O[6])(C[5,5,6]C[5,6]O[5,5]C)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	109.1307	0.033	3	109.1307	0.001	3	109.3710	2.013	25	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]N[5,5,6]H)(C[5,5,6]C[3x5,6]O[5,6]H)(H)2	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,6,6]C[5,6,6]N[5,5,6]H)(C[5,5,6]C[3x5,6]O[5,6]H)(H)2{1|H<1>,5|C<4>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	110.5040	0.000	1	110.5040	0.000	1	109.3710	2.013	25	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]O[5,6]C[6a])(C[5,5,6]C[5,5,6]2C[6a])(H)2	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	C[5,6](C[5,6,6]C[5,6,6]O[5,6]C[6a])(C[5,5,6]C[5,5,6]2C[6a])(H)2{1|H<1>,1|O<2>,2|C<4>,7|C<3>}	H(C[5,6]C[5,5,6]C[5,6,6]H)	H(C[5,6]C[5,5,6]C[5,6,6]H)	109.0740	0.000	1	109.0740	0.000	1	109.3710	2.013	25	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)2(H)2	H(C[5,6]C[5,6,6]2H)	H(C[5,6]C[5,6,6]2H)	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)2(H)2{4|H<1>,5|C<4>}	H(C[5,6]C[5,6,6]2H)	H(C[5,6]C[5,6,6]2H)	109.7560	0.150	2	109.7560	0.022	2	109.5942	0.025	6	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6,6]C[6,6]2O[5])(H)2	H(C[5,6]C[5,6,6]2H)	H(C[5,6]C[5,6,6]2H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6,6]C[6,6]2O[5])(H)2{1|O<1>,3|H<1>,5|C<4>}	H(C[5,6]C[5,6,6]2H)	H(C[5,6]C[5,6,6]2H)	109.6210	0.000	1	109.6210	0.000	1	109.5942	0.025	6	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5,6,6]C[6,6]2O[5])(H)2	H(C[5,6]C[5,6,6]2H)	H(C[5,6]C[5,6,6]2H)	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5,6,6]C[6,6]2O[5])(H)2{1|O<1>,1|O<2>,2|H<1>,5|C<4>}	H(C[5,6]C[5,6,6]2H)	H(C[5,6]C[5,6,6]2H)	109.5070	0.000	1	109.5070	0.000	1	109.5942	0.025	6	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]N[5,6]C[6]S[6])(C[5,6,6]C[5,6]C[6,6]H)(H)2	H(C[5,6]C[5,6,6]2H)	H(C[5,6]C[5,6,6]2H)	C[5,6](C[5,6,6]N[5,6]C[6]S[6])(C[5,6,6]C[5,6]C[6,6]H)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|O<1>}	H(C[5,6]C[5,6,6]2H)	H(C[5,6]C[5,6,6]2H)	109.4625	0.081	2	109.4625	0.007	2	109.5942	0.025	6	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[3,5]C[6,6]C[6])(C[5,6]C[3,5]C[6]O)(H)2	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[3,5]C[6,6]C[6])(C[5,6]C[3,5]C[6]O)(H)2{1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	109.1530	0.000	1	109.1530	0.000	1	109.4026	0.875	77	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[3x6]C[5]C[6])(C[5,6]C[5]O[6]O)(H)2	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[3x6]C[5]C[6])(C[5,6]C[5]O[6]O)(H)2{2|O<2>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	109.3550	0.000	1	109.3550	0.000	1	109.4026	0.875	77	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6]C[6,6]C)(C[5,6]N[5,5]O[6]C)(H)2	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[5,5,6]C[6,6]C)(C[5,6]N[5,5]O[6]C)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	109.4600	0.051	2	109.4600	0.003	2	109.4026	0.875	77	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(H)2{1|C<3>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	109.3980	0.000	1	109.3980	0.000	1	109.4026	0.875	77	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6]C[6,6a]C[6])(C[5,6]C[5,5]C[6]O)(H)2	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[5,5,6]C[6,6a]C[6])(C[5,6]C[5,5]C[6]O)(H)2{1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	109.5340	0.000	1	109.5340	0.000	1	109.4026	0.875	77	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6]C[6]O[5]H)(H)2	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6]C[6]O[5]H)(H)2{1|O<1>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	109.6433	0.048	3	109.6433	0.002	3	109.4026	0.875	77	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6]N[5,6]O[5]H)(H)2	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6]N[5,6]O[5]H)(H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	109.5790	0.000	1	109.5790	0.000	1	109.4026	0.875	77	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]N[6]O[5])(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[5,6,6]N[6]O[5])(C[5,6]C[5]C[6]H)(H)2{1|O<1>,2|H<1>,5|C<4>}	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	109.6030	0.006	2	109.6030	0.000	2	109.4026	0.875	77	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6]C[5]C[6]H)(H)2{1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	116.8670	0.000	1	116.8670	0.000	1	109.4026	0.875	77	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<2>,5|C<4>,5|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	109.2780	0.000	1	109.2780	0.000	1	109.4026	0.875	77	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]C)(H)2	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	109.1440	0.000	1	109.1440	0.000	1	109.4026	0.875	77	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|C<4>,7|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	109.4290	0.000	1	109.3845	0.004	2	109.4026	0.875	77	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(H)2{2|C<4>,7|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	109.3400	0.000	1	109.3845	0.004	2	109.4026	0.875	77	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[6]O[5]H)(H)2	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[6]O[5]H)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	109.6730	0.000	1	109.6730	0.000	1	109.4026	0.875	77	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5a,6]N[5,6]C[6])(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[5a,6]N[5,6]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	109.7090	0.000	1	109.7090	0.000	1	109.4026	0.875	77	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6,6a]C[5,6a]C[6])(C[5,6]C[5,6a]C[6,6a]H)(H)2	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6,6a]C[5,6a]C[6])(C[5,6]C[5,6a]C[6,6a]H)(H)2{1|H<1>,6|C<3>}	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	109.4260	0.000	1	109.4260	0.000	1	109.4026	0.875	77	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5,6]C[5]C[6]H)(H)2{1|O<1>,2|H<1>,3|O<2>,5|C<4>}	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	108.9975	0.026	2	108.9975	0.001	2	109.4026	0.875	77	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5,6]C[6]O[5]O)(H)2	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5,6]C[6]O[5]O)(H)2{1|O<2>,4|C<4>,5|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	109.2960	0.000	1	109.2960	0.000	1	109.4026	0.875	77	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	109.0760	0.000	1	109.0760	0.000	1	109.4026	0.875	77	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2{1|C<4>,1|O<1>,2|C<3>,6|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	109.2590	0.000	1	109.0007	0.011	10	109.4026	0.875	77	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2{1|N<2>,3|C<4>,7|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	108.9715	0.054	6	109.0007	0.011	10	109.4026	0.875	77	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2{1|O<1>,3|C<4>,7|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	108.9320	0.025	2	109.0007	0.011	10	109.4026	0.875	77	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2{2|O<2>,3|C<4>,7|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	109.0550	0.000	1	109.0007	0.011	10	109.4026	0.875	77	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	109.3170	0.000	1	109.3195	0.234	31	109.4026	0.875	77	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	109.4437	0.056	6	109.3195	0.234	31	109.4026	0.875	77	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	109.3965	0.064	2	109.3195	0.234	31	109.4026	0.875	77	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<1>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	109.2015	0.099	4	109.3195	0.234	31	109.4026	0.875	77	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<2>,2|C<4>,2|O<1>,3|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	109.3428	0.091	5	109.3195	0.234	31	109.4026	0.875	77	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	109.2160	0.000	1	109.3195	0.234	31	109.4026	0.875	77	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,2|O<1>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	109.3490	0.049	2	109.3195	0.234	31	109.4026	0.875	77	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	109.3290	0.000	1	109.3195	0.234	31	109.4026	0.875	77	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	109.2050	1.495	4	109.3195	0.234	31	109.4026	0.875	77	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	109.3580	0.000	1	109.3195	0.234	31	109.4026	0.875	77	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|O<2>,2|O<1>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	109.3120	0.000	1	109.3195	0.234	31	109.4026	0.875	77	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|O<2>,4|C<4>,7|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	109.2010	0.000	1	109.3195	0.234	31	109.4026	0.875	77	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{2|C<3>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	109.3470	0.000	1	109.3195	0.234	31	109.4026	0.875	77	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{2|O<2>,4|C<4>,6|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	109.3310	0.000	1	109.3195	0.234	31	109.4026	0.875	77	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]O)(H)2	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]O)(H)2{1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	109.3370	0.000	1	109.2865	0.005	4	109.4026	0.875	77	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]O)(H)2	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]O)(H)2{1|C<3>,3|C<4>,7|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	109.2697	0.081	3	109.2865	0.005	4	109.4026	0.875	77	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]N[6]H)(H)2	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]N[6]H)(H)2{1|C<4>,1|N<2>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	109.4460	0.000	1	109.4460	0.000	1	109.4026	0.875	77	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]C)(H)2	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]C)(H)2{1|O<1>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	109.4170	0.130	2	109.2473	0.095	3	109.4026	0.875	77	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]C)(H)2	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]C)(H)2{4|C<4>,6|H<1>}	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	108.9080	0.000	1	109.2473	0.095	3	109.4026	0.875	77	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(H)2{1|O<2>,2|H<1>,7|C<4>}	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	109.5730	0.236	2	109.5353	0.032	3	109.4026	0.875	77	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(H)2{3|H<1>,7|C<4>}	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	109.4600	0.000	1	109.5353	0.032	3	109.4026	0.875	77	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5,6]N[6]S[5]H)(H)2	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5,6]N[6]S[5]H)(H)2{1|C<4>,1|O<1>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6,6]C[5,6]H)	H(C[5,6]C[5,6,6]C[5,6]H)	108.8440	0.000	1	108.8440	0.000	1	109.4026	0.875	77	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[6a]C[5])(C[5,5,6]C[5,5]C[5,6]C)(H)2	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,6]C[6,6a]C[6a]C[5])(C[5,5,6]C[5,5]C[5,6]C)(H)2{4|H<1>,6|C<3>}	H(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]H)	107.4180	0.000	1	107.4180	0.000	1	107.4180	0.000	1	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[4,5,6,6]C[3,5]H)(C[5,6]C[3,5]C[6]H)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[4,5,6,6]C[3,5]H)(C[5,6]C[3,5]C[6]H)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	109.2820	0.000	1	109.2820	0.000	1	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[4,5,6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[4,5,6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	109.3733	0.009	3	109.3822	0.000	4	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[4,5,6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[4,5,6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	109.4090	0.000	1	109.3822	0.000	4	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6,6]C[5]O)(C[5,6]C[6]O[5]H)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5,5,6,6]C[5]O)(C[5,6]C[6]O[5]H)(H)2{1|C<4>,1|O<1>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	109.5540	0.000	1	109.5540	0.000	1	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[5,6]C[5,5]C[6]H)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5,5]C[6]C)(C[5,6]C[5,5]C[6]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	109.3980	0.000	1	109.3980	0.000	1	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[6]O[5]C)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[6]O[5]C)(H)2{3|C<4>,4|H<1>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	109.5467	0.070	3	109.5467	0.005	3	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6]O)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6]O)(H)2{3|C<4>,6|H<1>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	109.4307	0.080	3	109.4307	0.006	3	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	109.6720	0.000	1	109.6720	0.000	1	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6,6]H)(C[5,6]C[5,6a]C[6]H)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5,6a]C[6,6]H)(C[5,6]C[5,6a]C[6]H)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	103.7190	0.000	1	103.7190	0.000	1	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6,6]O)(C[5,6]C[5,6a]C[6]H)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5,6a]C[6,6]O)(C[5,6]C[5,6a]C[6]H)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	107.8760	0.000	1	107.8760	0.000	1	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5,6]C[5,6a]N[6]C)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5,6]C[5,6a]N[6]C)(H)2{1|H<1>,4|C<3>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	109.3300	0.000	1	109.3300	0.000	1	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5,6]C[5,6a]C[6]H)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5,6]C[5,6a]C[6]H)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	109.2540	0.000	1	109.2540	0.000	1	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5,6]C[5,6a]C[6]O)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5,6]C[5,6a]C[6]O)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	111.6550	0.000	1	111.6550	0.000	1	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)2(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5,6a]C[6]H)2(H)2{1|Br<1>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	109.4440	0.000	1	109.4660	0.001	3	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)2(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5,6a]C[6]H)2(H)2{1|N<3>,2|C<3>,2|O<1>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	109.4530	0.000	1	109.4660	0.001	3	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)2(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5,6a]C[6]H)2(H)2{1|N<3>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	109.5010	0.000	1	109.4660	0.001	3	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(H)2{1|C<4>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	109.2560	0.000	1	109.3045	0.005	2	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(H)2{1|C<4>,1|O<1>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	109.3530	0.000	1	109.3045	0.005	2	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	109.1920	0.087	3	109.2384	0.019	5	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(H)2{1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	109.1590	0.000	1	109.2384	0.019	5	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	109.4570	0.000	1	109.2384	0.019	5	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]O)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	109.3135	0.028	2	109.2533	0.003	6	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]O)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]O)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	109.1740	0.000	1	109.2533	0.003	6	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]O)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]O)(H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	109.2660	0.000	1	109.2533	0.003	6	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]O)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]O)(H)2{1|O<2>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	109.2265	0.019	2	109.2533	0.003	6	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]O[6]H)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]O[6]H)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	109.4175	0.021	2	109.4175	0.000	2	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(H)2{1|C<4>,2|C<2>,4|H<1>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	109.7585	0.271	2	109.4328	1.937	20	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(H)2{3|C<4>,4|H<1>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	109.3966	1.465	18	109.4328	1.937	20	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)2{1|C<4>,1|O<1>,4|H<1>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	109.6090	0.000	1	109.6090	0.000	1	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6]O)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	108.8930	0.000	2	109.0253	0.053	3	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6]O)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6]O)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	109.2900	0.000	1	109.0253	0.053	3	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]N[6]H)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]N[6]H)(H)2{1|C<4>,1|O<2>,1|S<4>,5|H<1>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	109.4370	0.000	1	109.4370	0.000	1	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]O[6]H)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]O[6]H)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	109.7380	0.000	1	109.7380	0.000	1	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]C)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]C)(H)2{1|C<3>,1|N<3>,2|H<1>,2|O<1>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	111.3260	0.000	1	110.2615	2.266	2	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]C)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]C)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	109.1970	0.000	1	110.2615	2.266	2	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(H)2{1|Br<1>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	109.0250	0.000	1	109.0250	0.000	1	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2{1|Br<1>,1|C<4>,1|O<1>,3|H<1>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	109.0910	0.000	1	109.8920	0.999	9	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2{1|C<2>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	110.5977	1.650	3	109.8920	0.999	9	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	109.6770	0.000	1	109.8920	0.999	9	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2{1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	109.7340	0.059	2	109.8920	0.999	9	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	109.5520	0.000	1	109.8920	0.999	9	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2{2|C<4>,2|O<2>,3|H<1>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	109.4470	0.000	1	109.8920	0.999	9	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	109.6060	0.000	1	109.6060	0.000	1	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)2(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]H)2(H)2{1|C<3>,1|N<3>,5|H<1>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	109.4030	0.000	1	109.3186	0.228	7	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)2(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]H)2(H)2{1|C<3>,1|O<1>,1|S<2>,4|H<1>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	110.1390	0.000	1	109.3186	0.228	7	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)2(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]H)2(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	109.3505	0.040	2	109.3186	0.228	7	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)2(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]H)2(H)2{1|C<4>,7|H<1>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	108.7660	0.000	1	109.3186	0.228	7	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)2(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]H)2(H)2{1|N<3>,2|O<1>,4|H<1>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	109.4920	0.000	1	109.3186	0.228	7	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)2(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]H)2(H)2{3|C<3>,3|H<1>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	108.7290	0.000	1	109.3186	0.228	7	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]Si)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]C[6]Si)(C[5,6]C[5]C[6]H)(H)2{1|N<3>,2|O<1>,4|H<1>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	109.3397	0.121	3	109.3397	0.015	3	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(C[5,6]C[6]O[5]H)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]N[6]H)(C[5,6]C[6]O[5]H)(H)2{1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	109.8890	0.000	1	109.7765	0.025	2	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(C[5,6]C[6]O[5]H)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5]N[6]H)(C[5,6]C[6]O[5]H)(H)2{1|S<4>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	109.6640	0.000	1	109.7765	0.025	2	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[5,6]C[5]H)(H)2{2|H<1>,4|C<3>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	109.5350	0.000	1	109.5350	0.000	1	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	110.3130	0.000	1	110.3130	0.000	1	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5a,6]N[5]H)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5a,6]N[5]H)(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|N<3>,1|S<4>,4|H<1>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	109.4770	0.000	1	109.4905	0.000	2	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5a,6]N[5]H)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5a,6]N[5]H)(C[5,6]C[5]C[6]H)(H)2{1|S<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	109.5040	0.000	1	109.4905	0.000	2	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[6]O[5]H)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[6]O[5]H)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	109.6880	0.000	1	109.6880	0.000	1	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<1>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	109.4570	0.000	1	109.7363	0.302	6	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<1>,2|O<2>,4|H<1>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	109.3090	0.000	1	109.7363	0.302	6	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	110.8290	0.000	1	109.7363	0.302	6	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2{1|C<4>,1|N<3>,1|O<2>,6|H<1>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	109.6390	0.000	1	109.7363	0.302	6	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2{1|N<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	109.6250	0.000	1	109.7363	0.302	6	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2{2|C<4>,5|H<1>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	109.5590	0.000	1	109.7363	0.302	6	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[6]O[5]H)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[6]O[5]H)(H)2{1|O<1>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	109.6700	0.000	1	109.6700	0.000	1	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)2(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6,6]C[5]H)2(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	109.5800	0.000	1	109.5800	0.000	1	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[6a]C[5])(C[5,6]C[5]C[6]C)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6,6]C[6a]C[5])(C[5,6]C[5]C[6]C)(H)2{1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	109.0710	0.150	2	109.0710	0.022	2	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[5,6]C[5]C[6]C)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[5,6]C[5]C[6]C)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	109.5210	0.000	1	109.5210	0.000	1	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[6]O[5]C)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[6]O[5]C)(H)2{1|H<1>,1|N<2>,1|O<2>,3|C<3>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	109.5150	0.000	1	109.5225	0.000	2	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[6]O[5]C)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[6]O[5]C)(H)2{1|H<1>,2|O<2>,3|C<3>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	109.5300	0.000	1	109.5225	0.000	2	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[6a]N[5]O[6])(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[6a]N[5]O[6])(H)2{7|C<3>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	109.5540	0.000	1	109.5540	0.000	1	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[6a]O[5]O[6])(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[6a]O[5]O[6])(H)2{6|C<3>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	109.8290	0.000	1	109.8290	0.000	1	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]O[5]O[6]H)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]O[5]O[6]H)(H)2{4|C<3>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	109.8350	0.000	1	109.8350	0.000	1	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5,6]C[5]N[6]C)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5,6]C[5]N[6]C)(H)2{1|O<1>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	109.2050	0.000	1	109.2050	0.000	1	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5,6]C[6]N[5]H)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5,6]C[6]N[5]H)(H)2{1|O<1>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	109.3350	0.000	1	109.3350	0.000	1	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]C)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]C)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	109.4180	0.000	1	109.4180	0.000	1	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[6]O[5]C)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[6]O[5]C)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	109.1770	0.000	1	109.1770	0.000	1	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]N[5]N[6]H)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]N[5]N[6]H)(H)2{1|C<4>,5|C<3>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	109.6960	0.000	1	109.6960	0.000	1	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]O[5]O[6]C)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]O[5]O[6]C)(H)2{2|C<3>,2|H<1>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	109.6737	0.079	3	109.6737	0.006	3	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]C)(C[5,6]C[5]N[6]C)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6,6a]N[5]C)(C[5,6]C[5]N[6]C)(H)2{1|H<1>,1|O<1>,3|C<3>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	109.4220	0.000	1	109.4220	0.000	1	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]C[5]O[6]H)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]C[5]O[6]H)(H)2{1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	109.6420	0.000	1	109.6420	0.000	1	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]C[6]O[5]H)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]C[6]O[5]H)(H)2{1|C<4>,3|C<3>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	108.9800	0.000	1	108.9800	0.000	1	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]C)(C[5,6]C[6]O[5]C)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6]N[5]C)(C[5,6]C[6]O[5]C)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	109.5140	0.000	1	109.5140	0.000	1	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)2(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6]N[5]H)2(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	109.9130	0.000	1	109.9130	0.000	1	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]S[5]H)2(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6]S[5]H)2(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	108.5970	0.000	1	108.5970	0.000	1	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2{1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	108.9850	0.000	1	108.9850	0.000	1	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<4>,2|C<3>,2|O<1>,4|H<1>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	109.0600	0.000	1	109.0600	0.000	1	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6a]C[5]O[6])(C[5,6]C[6,6a]O[5]H)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6a]C[5]O[6])(C[5,6]C[6,6a]O[5]H)(H)2{2|H<1>,4|C<3>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	109.7130	0.000	1	109.7130	0.000	1	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6a]O[5]O[6])(C[5,6]C[6,6a]C[5]H)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[6a]O[5]O[6])(C[5,6]C[6,6a]C[5]H)(H)2{1|H<1>,5|C<3>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	109.7310	0.000	1	109.7310	0.000	1	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[6]O[5]H)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[6]O[5]H)(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	109.7870	0.000	1	109.7870	0.000	1	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]O[5]H)(C[5,6]C[5]C[6]H)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]N[5,6]O[5]H)(C[5,6]C[5]C[6]H)(H)2{1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	112.7260	0.000	1	112.7260	0.000	1	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]N[6,6a]O[5]H)(C[5,6]C[5]N[6]H)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]N[6,6a]O[5]H)(C[5,6]C[5]N[6]H)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	109.8700	0.000	1	109.8700	0.000	1	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]Se[5]C[6]C)(C[5,6]Se[5]C[6]H)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]Se[5]C[6]C)(C[5,6]Se[5]C[6]H)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	108.0780	0.000	1	108.0785	0.003	4	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]Se[5]C[6]C)(C[5,6]Se[5]C[6]H)(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]Se[5]C[6]C)(C[5,6]Se[5]C[6]H)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	108.0787	0.069	3	108.0785	0.003	4	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]Se[5]C[6]C)2(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]Se[5]C[6]C)2(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	107.9590	0.000	1	107.9590	0.000	1	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]Se[5]C[6]H)2(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]Se[5]C[6]H)2(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	108.3650	0.000	1	108.3870	0.001	2	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]Se[5]C[6]H)2(H)2	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	C[5,6](C[5,6]Se[5]C[6]H)2(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]2H)	H(C[5,6]C[5,6]2H)	108.4090	0.000	1	108.3870	0.001	2	109.4029	0.899	137	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	N[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](N[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5,5,6]CH)(H)2	H(C[5,6]N[5,5,6,6]C[5,6]H)	H(C[5,6]N[5,5,6,6]C[5,6]H)	C[5,6](N[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]N[5,5,6,6]C[5,6]H)	H(C[5,6]N[5,5,6,6]C[5,6]H)	108.9010	0.000	1	108.9010	0.000	1	109.3165	0.345	2	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	N[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](N[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]N[5,5,6,6]C[5,6]H)	H(C[5,6]N[5,5,6,6]C[5,6]H)	C[5,6](N[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]N[5,5,6,6]C[5,6]H)	H(C[5,6]N[5,5,6,6]C[5,6]H)	109.7320	0.000	1	109.7320	0.000	1	109.3165	0.345	2	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	N[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](N[5,5,6]C[5,5]C[5,6]B)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]N[5,5,6]C[5,6]H)	H(C[5,6]N[5,5,6]C[5,6]H)	C[5,6](N[5,5,6]C[5,5]C[5,6]B)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<1>,3|H<1>}	H(C[5,6]N[5,5,6]C[5,6]H)	H(C[5,6]N[5,5,6]C[5,6]H)	108.8990	0.000	1	108.8990	0.000	1	108.8990	0.000	1	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	N[5,5,6]-4:Ga[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](N[5,5,6]Ga[5,6]C[5,5]C)(Ga[5,6]N[5,5,6]CC)(H)2	H(C[5,6]N[5,5,6]Ga[5,6]H)	H(C[5,6]N[5,5,6]Ga[5,6]H)	C[5,6](N[5,5,6]Ga[5,6]C[5,5]C)(Ga[5,6]N[5,5,6]CC)(H)2{2|H<1>,4|C<4>}	H(C[5,6]N[5,5,6]Ga[5,6]H)	H(C[5,6]N[5,5,6]Ga[5,6]H)	106.3480	0.000	1	106.3480	0.000	1	106.3480	0.000	1	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	N[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6]Cu)(C[5,6]C[6]O[5]H)(H)2	H(C[5,6]C[5,6]N[5,6]H)	H(C[5,6]C[5,6]N[5,6]H)	C[5,6](N[5,6]C[5]C[6]Cu)(C[5,6]C[6]O[5]H)(H)2{1|N<3>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]N[5,6]H)	H(C[5,6]C[5,6]N[5,6]H)	109.5900	0.000	1	109.5900	0.000	1	109.5900	0.000	1	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	P[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](P[5,5,6]C[5,5,6]N[5,5]W)(C[5,6]C[5,5,6]HH)(H)2	H(C[5,6]P[5,5,6]C[5,6]H)	H(C[5,6]P[5,5,6]C[5,6]H)	C[5,6](P[5,5,6]C[5,5,6]N[5,5]W)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5,6]P[5,5,6]C[5,6]H)	H(C[5,6]P[5,5,6]C[5,6]H)	108.9210	0.115	2	108.9210	0.013	2	108.9962	0.010	5	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5,6]	H	H	4:4:1:1:	4:	4:	P[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](P[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]B[5,5,6]HH)(H)2	H(C[5,6]P[5,5,6]C[5,6]H)	H(C[5,6]P[5,5,6]C[5,6]H)	C[5,6](P[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]B[5,5,6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[5,6]P[5,5,6]C[5,6]H)	H(C[5,6]P[5,5,6]C[5,6]H)	109.0463	0.064	3	109.0463	0.004	3	108.9962	0.010	5	109.0376	1.723	2490	109.0474	1.693	2720	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	2:2:1:1:	4:	4:	N[5]-2:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5])(O[5]C[5])(H)2	H(C[5]N[5]O[5]H)	H(C[5]N[5]O[5]H)	C[5](N[5]C[5])(O[5]C[5])(H)2{1|H<1>,2|C<3>}	H(C[5]N[5]O[5]H)	H(C[5]N[5]O[5]H)	108.3910	0.000	1	108.3910	0.000	1	108.3910	0.000	1	108.7169	3.155	703	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	2:2:1:1:	4:	4:	O[5]-2:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](O[5]C[5,5,6])(O[5]C[5,6,6])(H)2	H(C[5]O[5]2H)	H(C[5]O[5]2H)	C[5](O[5]C[5,5,6])(O[5]C[5,6,6])(H)2{4|C<4>}	H(C[5]O[5]2H)	H(C[5]O[5]2H)	108.5120	0.000	1	108.5120	0.000	1	108.7090	3.066	694	108.7169	3.155	703	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	2:2:1:1:	4:	4:	O[5]-2:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](O[5]C[5,5])2(H)2	H(C[5]O[5]2H)	H(C[5]O[5]2H)	C[5](O[5]C[5,5])2(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]O[5]2H)	H(C[5]O[5]2H)	108.7170	0.000	1	108.7170	0.000	1	108.7090	3.066	694	108.7169	3.155	703	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	2:2:1:1:	4:	4:	O[5]-2:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](O[5]C[5,6,6])(O[5]C[5,6])(H)2	H(C[5]O[5]2H)	H(C[5]O[5]2H)	C[5](O[5]C[5,6,6])(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,1|O<2>}	H(C[5]O[5]2H)	H(C[5]O[5]2H)	108.7120	0.000	1	108.7120	0.000	1	108.7090	3.066	694	108.7169	3.155	703	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	2:2:1:1:	4:	4:	O[5]-2:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](O[5]C[5,6])2(H)2	H(C[5]O[5]2H)	H(C[5]O[5]2H)	C[5](O[5]C[5,6])2(H)2{1|C<3>,1|C<4>,1|O<2>}	H(C[5]O[5]2H)	H(C[5]O[5]2H)	108.6600	0.000	1	108.7103	0.035	7	108.7090	3.066	694	108.7169	3.155	703	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	2:2:1:1:	4:	4:	O[5]-2:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](O[5]C[5,6])2(H)2	H(C[5]O[5]2H)	H(C[5]O[5]2H)	C[5](O[5]C[5,6])2(H)2{1|C<3>,2|C<4>}	H(C[5]O[5]2H)	H(C[5]O[5]2H)	108.6850	0.000	1	108.7103	0.035	7	108.7090	3.066	694	108.7169	3.155	703	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	2:2:1:1:	4:	4:	O[5]-2:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](O[5]C[5,6])2(H)2	H(C[5]O[5]2H)	H(C[5]O[5]2H)	C[5](O[5]C[5,6])2(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]O[5]2H)	H(C[5]O[5]2H)	108.6820	0.000	1	108.7103	0.035	7	108.7090	3.066	694	108.7169	3.155	703	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	2:2:1:1:	4:	4:	O[5]-2:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](O[5]C[5,6])2(H)2	H(C[5]O[5]2H)	H(C[5]O[5]2H)	C[5](O[5]C[5,6])2(H)2{2|C<3>}	H(C[5]O[5]2H)	H(C[5]O[5]2H)	108.5245	0.094	2	108.7103	0.035	7	108.7090	3.066	694	108.7169	3.155	703	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	2:2:1:1:	4:	4:	O[5]-2:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](O[5]C[5,6])2(H)2	H(C[5]O[5]2H)	H(C[5]O[5]2H)	C[5](O[5]C[5,6])2(H)2{2|C<4>,2|H<1>}	H(C[5]O[5]2H)	H(C[5]O[5]2H)	108.9480	0.123	2	108.7103	0.035	7	108.7090	3.066	694	108.7169	3.155	703	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	2:2:1:1:	4:	4:	O[5]-2:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](O[5]C[5,6a])2(H)2	H(C[5]O[5]2H)	H(C[5]O[5]2H)	C[5](O[5]C[5,6a])2(H)2{2|C<3>}	H(C[5]O[5]2H)	H(C[5]O[5]2H)	108.7110	1.766	680	108.7110	3.117	680	108.7090	3.066	694	108.7169	3.155	703	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	2:2:1:1:	4:	4:	O[5]-2:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](O[5]C[5])2(H)2	H(C[5]O[5]2H)	H(C[5]O[5]2H)	C[5](O[5]C[5])2(H)2{2|C<3>}	H(C[5]O[5]2H)	H(C[5]O[5]2H)	108.4325	2.683	2	108.4098	2.424	4	108.7090	3.066	694	108.7169	3.155	703	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	2:2:1:1:	4:	4:	O[5]-2:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](O[5]C[5])2(H)2	H(C[5]O[5]2H)	H(C[5]O[5]2H)	C[5](O[5]C[5])2(H)2{2|C<4>,2|H<1>}	H(C[5]O[5]2H)	H(C[5]O[5]2H)	108.3870	0.264	2	108.4098	2.424	4	108.7090	3.066	694	108.7169	3.155	703	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	2:2:1:1:	4:	4:	S[5]-2:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](S[5]C[5,5,6])2(H)2	H(C[5]S[5]2H)	H(C[5]S[5]2H)	C[5](S[5]C[5,5,6])2(H)2{2|C<4>,2|H<1>}	H(C[5]S[5]2H)	H(C[5]S[5]2H)	108.5790	0.000	1	108.5790	0.000	1	109.4381	12.310	8	108.7169	3.155	703	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	2:2:1:1:	4:	4:	S[5]-2:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](S[5]C[5,5])2(H)2	H(C[5]S[5]2H)	H(C[5]S[5]2H)	C[5](S[5]C[5,5])2(H)2{2|S<2>}	H(C[5]S[5]2H)	H(C[5]S[5]2H)	110.9440	6.079	3	110.5897	25.137	4	109.4381	12.310	8	108.7169	3.155	703	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	2:2:1:1:	4:	4:	S[5]-2:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](S[5]C[5,5])2(H)2	H(C[5]S[5]2H)	H(C[5]S[5]2H)	C[5](S[5]C[5,5])2(H)2{4|C<3>}	H(C[5]S[5]2H)	H(C[5]S[5]2H)	109.5270	0.000	1	110.5897	25.137	4	109.4381	12.310	8	108.7169	3.155	703	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	2:2:1:1:	4:	4:	S[5]-2:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](S[5]C[5,5a])2(H)2	H(C[5]S[5]2H)	H(C[5]S[5]2H)	C[5](S[5]C[5,5a])2(H)2{1|C<3>,1|S<2>}	H(C[5]S[5]2H)	H(C[5]S[5]2H)	108.0350	0.000	1	108.1890	0.019	3	109.4381	12.310	8	108.7169	3.155	703	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	2:2:1:1:	4:	4:	S[5]-2:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](S[5]C[5,5a])2(H)2	H(C[5]S[5]2H)	H(C[5]S[5]2H)	C[5](S[5]C[5,5a])2(H)2{2|C<3>}	H(C[5]S[5]2H)	H(C[5]S[5]2H)	108.2360	0.000	1	108.1890	0.019	3	109.4381	12.310	8	108.7169	3.155	703	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	2:2:1:1:	4:	4:	S[5]-2:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](S[5]C[5,5a])2(H)2	H(C[5]S[5]2H)	H(C[5]S[5]2H)	C[5](S[5]C[5,5a])2(H)2{2|S<2>}	H(C[5]S[5]2H)	H(C[5]S[5]2H)	108.2960	0.000	1	108.1890	0.019	3	109.4381	12.310	8	108.7169	3.155	703	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	2:3:1:1:	4:	4:	O[5]-2:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](O[5]C[4,5])(C[5]C[5]H)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](O[5]C[4,5])(C[5]C[5]H)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9565	0.185	2	108.9565	0.034	2	109.9152	33.218	11	109.3711	17.795	21	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	2:3:1:1:	4:	4:	O[5]-2:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](O[5]C[5,5,6])(C[5]O[5]H)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](O[5]C[5,5,6])(C[5]O[5]H)(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	126.7010	0.000	1	126.7010	0.000	1	109.9152	33.218	11	109.3711	17.795	21	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	2:3:1:1:	4:	4:	O[5]-2:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](O[5]C[5,5])(C[5]C[5]H)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](O[5]C[5,5])(C[5]C[5]H)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9110	0.000	1	108.9110	0.000	1	109.9152	33.218	11	109.3711	17.795	21	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	2:3:1:1:	4:	4:	O[5]-2:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](O[5]C[5,6])(C[5]C[5]H)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](O[5]C[5,6])(C[5]C[5]H)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9360	0.000	1	108.9115	0.001	2	109.9152	33.218	11	109.3711	17.795	21	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	2:3:1:1:	4:	4:	O[5]-2:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](O[5]C[5,6])(C[5]C[5]H)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](O[5]C[5,6])(C[5]C[5]H)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8870	0.000	1	108.9115	0.001	2	109.9152	33.218	11	109.3711	17.795	21	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	2:3:1:1:	4:	4:	O[5]-2:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](O[5]C[5,6])(C[5]N[5]O)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](O[5]C[5,6])(C[5]N[5]O)(H)2{3|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7620	0.000	1	108.7620	0.000	1	109.9152	33.218	11	109.3711	17.795	21	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	2:3:1:1:	4:	4:	O[5]-2:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](O[5]C[5,6])(C[5]O[5]C)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](O[5]C[5,6])(C[5]O[5]C)(H)2{1|C<4>,1|O<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.0810	0.000	1	109.0810	0.000	1	109.9152	33.218	11	109.3711	17.795	21	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	2:3:1:1:	4:	4:	O[5]-2:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](O[5]Si[3x5])(C[5]O[5]O)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](O[5]Si[3x5])(C[5]O[5]O)(H)2{4|O<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	106.6253	2.348	3	106.6253	5.513	3	109.9152	33.218	11	109.3711	17.795	21	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	2:3:1:1:	4:	4:	S[5]-2:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](S[5]C[5,5])(C[5]N[5]O)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](S[5]C[5,5])(C[5]N[5]O)(H)2{1|N<3>,2|C<4>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	112.5830	0.000	1	110.5770	8.048	2	108.7727	1.876	10	109.3711	17.795	21	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	2:3:1:1:	4:	4:	S[5]-2:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](S[5]C[5,5])(C[5]N[5]O)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](S[5]C[5,5])(C[5]N[5]O)(H)2{3|C<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.5710	0.000	1	110.5770	8.048	2	108.7727	1.876	10	109.3711	17.795	21	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	2:3:1:1:	4:	4:	S[5]-2:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](S[5]C[5,6])(C[5]N[5]H)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](S[5]C[5,6])(C[5]N[5]H)(H)2{2|C<4>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.8220	0.000	1	108.8220	0.000	1	108.7727	1.876	10	109.3711	17.795	21	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	2:3:1:1:	4:	4:	S[5]-2:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](S[5]C[5,6])(C[5]N[5]O)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](S[5]C[5,6])(C[5]N[5]O)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.4490	0.000	1	108.4780	0.002	3	108.7727	1.876	10	109.3711	17.795	21	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	2:3:1:1:	4:	4:	S[5]-2:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](S[5]C[5,6])(C[5]N[5]O)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](S[5]C[5,6])(C[5]N[5]O)(H)2{1|N<3>,2|C<4>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.4610	0.000	1	108.4780	0.002	3	108.7727	1.876	10	109.3711	17.795	21	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	2:3:1:1:	4:	4:	S[5]-2:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](S[5]C[5,6])(C[5]N[5]O)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](S[5]C[5,6])(C[5]N[5]O)(H)2{3|C<4>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.5240	0.000	1	108.4780	0.002	3	108.7727	1.876	10	109.3711	17.795	21	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	2:3:1:1:	4:	4:	S[5]-2:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](S[5]Ge[5,5])(C[5]O[5]N)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](S[5]Ge[5,5])(C[5]O[5]N)(H)2{1|C<4>,1|O<2>,1|S<2>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	107.9235	0.118	2	107.9235	0.014	2	108.7727	1.876	10	109.3711	17.795	21	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	2:3:1:1:	4:	4:	S[5]-2:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](S[5]Si[5,5])(C[5]O[5]N)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](S[5]Si[5,5])(C[5]O[5]N)(H)2{1|C<4>,1|O<2>,1|S<2>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.2350	0.151	2	108.2350	0.023	2	108.7727	1.876	10	109.3711	17.795	21	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	2:4:1:1:	4:	4:	O[5]-2:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](O[5]C[5,5,6])(C[5]C[5]HO)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](O[5]C[5,5,6])(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8352	0.110	12	108.8352	0.012	12	109.9841	22.427	43	109.5720	17.714	56	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	2:4:1:1:	4:	4:	O[5]-2:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](O[5]C[5,5,6])(C[5]O[5]CH)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](O[5]C[5,5,6])(C[5]O[5]CH)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.1543	0.087	3	109.1543	0.008	3	109.9841	22.427	43	109.5720	17.714	56	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	2:4:1:1:	4:	4:	O[5]-2:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](O[5]C[5,5,6])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](O[5]C[5,5,6])(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8225	0.267	2	111.2950	49.026	19	109.9841	22.427	43	109.5720	17.714	56	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	2:4:1:1:	4:	4:	O[5]-2:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](O[5]C[5,5,6])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](O[5]C[5,5,6])(C[5]O[5]HH)(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	111.5859	7.369	17	111.2950	49.026	19	109.9841	22.427	43	109.5720	17.714	56	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	2:4:1:1:	4:	4:	O[5]-2:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](O[5]C[5,6,6])(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](O[5]C[5,6,6])(C[5]O[5]HH)(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.0251	0.245	9	109.0251	0.060	9	109.9841	22.427	43	109.5720	17.714	56	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	2:4:1:1:	4:	4:	S[5]-2:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](S[5]C[5,5,6])(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](S[5]C[5,5,6])(C[5]S[5]HH)(H)2{2|C<4>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.3850	0.151	2	108.3850	0.023	2	108.2088	0.074	13	109.5720	17.714	56	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	2:4:1:1:	4:	4:	S[5]-2:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](S[5]C[5,6,6])(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](S[5]C[5,6,6])(C[5]S[5]HH)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.5480	0.123	2	108.2608	0.128	5	108.2088	0.074	13	109.5720	17.714	56	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	2:4:1:1:	4:	4:	S[5]-2:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](S[5]C[5,6,6])(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](S[5]C[5,6,6])(C[5]S[5]HH)(H)2{2|C<4>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.0693	0.332	3	108.2608	0.128	5	108.2088	0.074	13	109.5720	17.714	56	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	2:4:1:1:	4:	4:	S[5]-2:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](S[5]Nb[5x3,5,5])(C[5]O[5,5]HH)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](S[5]Nb[5x3,5,5])(C[5]O[5,5]HH)(H)2{1|O<1>,1|S<2>,6|C<4>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.2242	0.050	4	108.2242	0.002	4	108.2088	0.074	13	109.5720	17.714	56	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	2:4:1:1:	4:	4:	S[5]-2:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](S[5]Nb[5x3,5,5])(C[5]S[5,5]HH)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](S[5]Nb[5x3,5,5])(C[5]S[5,5]HH)(H)2{2|Cl<1>,1|S<2>,6|C<4>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	107.8715	0.203	2	107.8715	0.041	2	108.2088	0.074	13	109.5720	17.714	56	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,5,6]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[4x5,6]C[5,6])(O[5]C[5])(H)2	H(C[5]C[5,5,6]O[5]H)	H(C[5]C[5,5,6]O[5]H)	C[5](C[5,5,6]C[4x5,6]C[5,6])(O[5]C[5])(H)2{1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5,5,6]O[5]H)	H(C[5]C[5,5,6]O[5]H)	108.9790	0.000	1	108.9790	0.000	1	108.9790	0.000	1	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5])(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]C[5])(O[5]C[5])(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	109.0950	0.000	1	109.0875	0.000	2	108.9943	0.026	3	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5])(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]C[5])(O[5]C[5])(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	109.0800	0.000	1	109.0875	0.000	2	108.9943	0.026	3	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5])(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]O[5])(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.8080	0.000	1	108.8080	0.000	1	108.9943	0.026	3	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,5a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(O[5]C[5])(H)2	H(C[5]C[5,5a]O[5]H)	H(C[5]C[5,5a]O[5]H)	C[5](C[5,5a]C[5,5a]C[5a])(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,5a]O[5]H)	H(C[5]C[5,5a]O[5]H)	108.9110	0.000	1	109.0231	0.007	7	109.0674	0.022	8	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,5a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(O[5]C[5])(H)2	H(C[5]C[5,5a]O[5]H)	H(C[5]C[5,5a]O[5]H)	C[5](C[5,5a]C[5,5a]C[5a])(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>,1|S<2>}	H(C[5]C[5,5a]O[5]H)	H(C[5]C[5,5a]O[5]H)	108.9950	0.058	2	109.0231	0.007	7	109.0674	0.022	8	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,5a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(O[5]C[5])(H)2	H(C[5]C[5,5a]O[5]H)	H(C[5]C[5,5a]O[5]H)	C[5](C[5,5a]C[5,5a]C[5a])(O[5]C[5])(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[5]C[5,5a]O[5]H)	H(C[5]C[5,5a]O[5]H)	109.1770	0.000	1	109.0231	0.007	7	109.0674	0.022	8	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,5a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(O[5]C[5])(H)2	H(C[5]C[5,5a]O[5]H)	H(C[5]C[5,5a]O[5]H)	C[5](C[5,5a]C[5,5a]C[5a])(O[5]C[5])(H)2{1|N<2>,1|N<3>,2|C<3>}	H(C[5]C[5,5a]O[5]H)	H(C[5]C[5,5a]O[5]H)	109.0370	0.000	1	109.0231	0.007	7	109.0674	0.022	8	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,5a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(O[5]C[5])(H)2	H(C[5]C[5,5a]O[5]H)	H(C[5]C[5,5a]O[5]H)	C[5](C[5,5a]C[5,5a]C[5a])(O[5]C[5])(H)2{1|N<3>,1|O<1>,2|C<3>}	H(C[5]C[5,5a]O[5]H)	H(C[5]C[5,5a]O[5]H)	109.0370	0.000	1	109.0231	0.007	7	109.0674	0.022	8	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,5a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(O[5]C[5])(H)2	H(C[5]C[5,5a]O[5]H)	H(C[5]C[5,5a]O[5]H)	C[5](C[5,5a]C[5,5a]C[5a])(O[5]C[5])(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5,5a]O[5]H)	H(C[5]C[5,5a]O[5]H)	109.0100	0.000	1	109.0231	0.007	7	109.0674	0.022	8	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,5a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5,5a])(O[5]C[5])(H)2	H(C[5]C[5,5a]O[5]H)	H(C[5]C[5,5a]O[5]H)	C[5](C[5,5a]C[5,5a]N[5,5a])(O[5]C[5])(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,5a]O[5]H)	H(C[5]C[5,5a]O[5]H)	109.3770	0.000	1	109.3770	0.000	1	109.0674	0.022	8	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,5a]-3:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(S[5]C[5])(H)2	H(C[5]C[5,5a]S[5]H)	H(C[5]C[5,5a]S[5]H)	C[5](C[5,5a]N[5,5a]C[5a])(S[5]C[5])(H)2{2|H<1>,3|C<3>}	H(C[5]C[5,5a]S[5]H)	H(C[5]C[5,5a]S[5]H)	108.7720	0.000	1	108.7720	0.000	1	109.7511	3.742	9	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,5a]-3:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]N[5,5a]N[5a])(S[5]C[5])(H)2	H(C[5]C[5,5a]S[5]H)	H(C[5]C[5,5a]S[5]H)	C[5](C[5,5a]N[5,5a]N[5a])(S[5]C[5])(H)2{1|H<1>,3|C<3>}	H(C[5]C[5,5a]S[5]H)	H(C[5]C[5,5a]S[5]H)	109.8735	2.030	8	109.8735	4.123	8	109.7511	3.742	9	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,6,6]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[5,6,6])(O[5]C[5])(H)2	H(C[5]C[5,6,6]O[5]H)	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[5,3x6]C[5,6,6])(O[5]C[5])(H)2{1|O<1>,1|O<2>,3|C<4>}	H(C[5]C[5,6,6]O[5]H)	H(C[5]C[5,6,6]O[5]H)	109.0337	0.056	3	109.0337	0.003	3	108.9230	0.025	5	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,6,6]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6])(O[5]C[5])(H)2	H(C[5]C[5,6,6]O[5]H)	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[5,3x6]C[6,6])(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,6,6]O[5]H)	H(C[5]C[5,6,6]O[5]H)	108.7570	0.011	2	108.7570	0.000	2	108.9230	0.025	5	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,6,6]-3:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6])(S[5]C[5])(H)2	H(C[5]C[5,6,6]S[5]H)	H(C[5]C[5,6,6]S[5]H)	C[5](C[5,6,6]C[5,3x6]C[6,6])(S[5]C[5])(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6,6]S[5]H)	H(C[5]C[5,6,6]S[5]H)	108.6730	0.000	1	108.6730	0.000	1	108.6730	0.000	1	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[5,6])(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,5,6]C[5,6])(O[5]C[5])(H)2{1|O<1>,1|O<2>,3|C<4>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	109.6290	0.000	1	109.6290	0.000	1	109.2018	1.821	55	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6])(O[5]C[5,5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,5,6]C[6])(O[5]C[5,5])(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	110.3070	0.000	1	110.3070	0.000	1	109.2018	1.821	55	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6])(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6,6]C[6])(O[5]C[5,6])(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.9220	0.000	1	109.0855	0.053	2	109.2018	1.821	55	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6])(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6,6]C[6])(O[5]C[5,6])(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	109.2490	0.000	1	109.0855	0.053	2	109.2018	1.821	55	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]2)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]2)(O[5]C[5])(H)2{1|C<3>,1|O<1>,2|C<4>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	111.3260	0.000	1	109.1000	0.859	8	109.2018	1.821	55	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]2)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]2)(O[5]C[5])(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.8920	0.061	2	109.1000	0.859	8	109.2018	1.821	55	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]2)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]2)(O[5]C[5])(H)2{1|O<1>,1|O<2>,3|C<4>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.5885	0.487	2	109.1000	0.859	8	109.2018	1.821	55	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]2)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]2)(O[5]C[5])(H)2{2|H<1>,4|C<4>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.8180	0.017	2	109.1000	0.859	8	109.2018	1.821	55	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]2)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]2)(O[5]C[5])(H)2{3|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.8770	0.000	1	109.1000	0.859	8	109.2018	1.821	55	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(H)2{1|C<3>,1|O<1>,2|C<4>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.9200	0.000	1	108.8630	0.005	6	109.2018	1.821	55	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.8890	0.000	1	108.8630	0.005	6	109.2018	1.821	55	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(H)2{1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.8610	0.035	2	108.8630	0.005	6	109.2018	1.821	55	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(H)2{1|O<1>,4|C<4>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.9130	0.000	1	108.8630	0.005	6	109.2018	1.821	55	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(H)2{2|H<1>,4|C<4>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.7340	0.000	1	108.8630	0.005	6	109.2018	1.821	55	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5,6])(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.9780	0.000	1	112.3330	22.512	2	109.2018	1.821	55	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5,6])(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	115.6880	0.000	1	112.3330	22.512	2	109.2018	1.821	55	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	109.4310	0.000	1	109.1173	1.808	26	109.2018	1.821	55	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.8960	0.037	2	109.1173	1.808	26	109.2018	1.821	55	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.6700	0.000	1	109.1173	1.808	26	109.2018	1.821	55	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	112.4520	0.000	1	109.1173	1.808	26	109.2018	1.821	55	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.8160	0.076	4	109.1173	1.808	26	109.2018	1.821	55	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	109.4050	5.698	2	109.1173	1.808	26	109.2018	1.821	55	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.7010	0.000	1	109.1173	1.808	26	109.2018	1.821	55	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	109.0024	0.025	7	109.1173	1.808	26	109.2018	1.821	55	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.8960	0.000	1	109.1173	1.808	26	109.2018	1.821	55	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|N<3>,1|O<1>,1|S<2>,2|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.9390	0.000	1	109.1173	1.808	26	109.2018	1.821	55	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.9050	0.084	4	109.1173	1.808	26	109.2018	1.821	55	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	109.4580	0.000	1	109.1173	1.808	26	109.2018	1.821	55	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]N[6])(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]N[6])(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	109.1102	0.120	5	109.0988	0.012	6	109.2018	1.821	55	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]N[6])(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]N[6])(O[5]C[5])(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	109.0420	0.000	1	109.0988	0.012	6	109.2018	1.821	55	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]O[6])(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]O[6])(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	109.0900	0.000	1	109.0900	0.000	1	109.2018	1.821	55	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5a,6]C[5,6])(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5a,6]C[5,6])(O[5]C[5])(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.9410	0.000	1	108.9410	0.000	1	109.2018	1.821	55	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6])(O[5]In[5,5,6,6])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]N[5,6]C[6])(O[5]In[5,5,6,6])(H)2{1|H<1>,2|C<3>,2|N<3>,2|O<2>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	107.6740	0.000	1	107.6740	0.000	1	109.2018	1.821	55	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,6]-3:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6])(S[5]C[5,6])(H)2	H(C[5]C[5,6]S[5]H)	H(C[5]C[5,6]S[5]H)	C[5](C[5,6]C[5,6,6]C[6])(S[5]C[5,6])(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6]S[5]H)	H(C[5]C[5,6]S[5]H)	108.8280	0.000	1	108.8280	0.000	1	108.8280	0.000	1	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6,6a]C[6a])(O[5]C[5,6])(H)2	H(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6,6a]C[6a])(O[5]C[5,6])(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]O[5]H)	108.8500	0.000	1	108.8500	0.000	1	108.9939	1.131	134	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(O[5]C[5,6a])(H)2	H(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(O[5]C[5,6a])(H)2{1|O<2>,3|C<3>}	H(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]O[5]H)	108.9250	0.059	2	108.9250	0.004	2	108.9939	1.131	134	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]2)(O[5]C[5])(H)2	H(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]2)(O[5]C[5])(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]O[5]H)	108.8624	0.113	5	108.8982	0.018	6	108.9939	1.131	134	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]2)(O[5]C[5])(H)2	H(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]2)(O[5]C[5])(H)2{1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]O[5]H)	109.0770	0.000	1	108.8982	0.018	6	108.9939	1.131	134	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6,6a])(O[5]C[5])(H)2	H(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6,6a])(O[5]C[5])(H)2{2|H<1>,3|C<3>}	H(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]O[5]H)	108.7700	0.048	3	108.7700	0.002	3	108.9939	1.131	134	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(H)2	H(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]O[5]H)	108.6966	0.057	7	108.6311	0.037	8	108.9939	1.131	134	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(H)2	H(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(H)2{1|H<1>,2|C<3>,2|O<2>}	H(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]O[5]H)	108.1730	0.000	1	108.6311	0.037	8	108.9939	1.131	134	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(H)2	H(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(H)2{1|C<3>,1|N<2>,3|C<4>}	H(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]O[5]H)	108.9930	0.000	1	109.0452	0.041	4	108.9939	1.131	134	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(H)2	H(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(H)2{1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]O[5]H)	108.9550	0.000	1	109.0452	0.041	4	108.9939	1.131	134	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(H)2	H(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]O[5]H)	109.1165	0.320	2	109.0452	0.041	4	108.9939	1.131	134	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(H)2	H(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]O[5]H)	108.8870	0.064	2	108.4245	1.151	8	108.9939	1.131	134	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(H)2	H(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]O[5]H)	108.9150	0.000	1	108.4245	1.151	8	108.9939	1.131	134	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(H)2	H(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]O[5]H)	108.7280	0.000	1	108.4245	1.151	8	108.9939	1.131	134	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(H)2	H(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(H)2{1|H<1>,4|C<3>}	H(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]O[5]H)	107.9947	1.478	4	108.4245	1.151	8	108.9939	1.131	134	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	H(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|Br<1>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]O[5]H)	108.9905	0.005	2	109.0574	1.275	95	108.9939	1.131	134	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	H(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]O[5]H)	108.9870	0.000	1	109.0574	1.275	95	108.9939	1.131	134	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	H(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]O[5]H)	108.8880	0.000	1	109.0574	1.275	95	108.9939	1.131	134	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	H(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]O[5]H)	108.8010	0.000	1	109.0574	1.275	95	108.9939	1.131	134	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	H(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]O[5]H)	108.8556	0.066	7	109.0574	1.275	95	108.9939	1.131	134	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	H(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]O[5]H)	108.4517	0.565	3	109.0574	1.275	95	108.9939	1.131	134	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	H(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]O[5]H)	109.4230	2.075	17	109.0574	1.275	95	108.9939	1.131	134	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	H(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|H<1>,3|C<3>}	H(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]O[5]H)	108.9010	0.045	2	109.0574	1.275	95	108.9939	1.131	134	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	H(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|Ir<4>,1|H<1>,2|C<3>}	H(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]O[5]H)	109.0190	0.000	1	109.0574	1.275	95	108.9939	1.131	134	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	H(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|N<2>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]O[5]H)	108.9467	0.060	3	109.0574	1.275	95	108.9939	1.131	134	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	H(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|N<3>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]O[5]H)	108.9385	0.028	4	109.0574	1.275	95	108.9939	1.131	134	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	H(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]O[5]H)	108.9737	0.043	4	109.0574	1.275	95	108.9939	1.131	134	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	H(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|O<1>,1|S<2>,2|C<3>}	H(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]O[5]H)	110.2210	1.864	2	109.0574	1.275	95	108.9939	1.131	134	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	H(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|O<1>,3|C<3>}	H(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]O[5]H)	109.9397	1.023	3	109.0574	1.275	95	108.9939	1.131	134	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	H(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]O[5]H)	108.9293	0.038	3	109.0574	1.275	95	108.9939	1.131	134	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	H(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|P<3>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]O[5]H)	108.7445	0.056	2	109.0574	1.275	95	108.9939	1.131	134	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	H(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|P<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]O[5]H)	108.7753	0.079	3	109.0574	1.275	95	108.9939	1.131	134	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	H(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{2|C<3>,3|H<1>}	H(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]O[5]H)	109.0128	1.280	22	109.0574	1.275	95	108.9939	1.131	134	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	H(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{2|H<1>,3|C<3>}	H(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]O[5]H)	108.8431	0.078	14	109.0574	1.275	95	108.9939	1.131	134	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5])(H)2	H(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5])(H)2{1|B<4>,1|H<1>,3|C<3>}	H(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]O[5]H)	108.2820	0.238	2	108.2820	0.056	2	108.9939	1.131	134	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]N[6a])(O[5]C[5])(H)2	H(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]N[6a])(O[5]C[5])(H)2{1|O<1>,2|C<3>}	H(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]O[5]H)	108.9520	0.000	2	108.9520	0.000	2	108.9939	1.131	134	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]O[6a])(O[5]C[5])(H)2	H(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]O[6a])(O[5]C[5])(H)2{1|O<1>,2|C<3>}	H(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]O[5]H)	109.1800	0.000	1	109.1800	0.000	1	108.9939	1.131	134	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[5])(H)2	H(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[5])(H)2{1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]O[5]H)	108.9800	0.000	1	111.0330	8.430	2	108.9939	1.131	134	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[5])(H)2	H(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[5])(H)2{2|H<1>,3|C<3>}	H(C[5]C[5,6a]O[5]H)	H(C[5]C[5,6a]O[5]H)	113.0860	0.000	1	111.0330	8.430	2	108.9939	1.131	134	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,6a]-3:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5])(H)2	H(C[5]C[5,6a]S[5]H)	H(C[5]C[5,6a]S[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5])(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]S[5]H)	H(C[5]C[5,6a]S[5]H)	108.6370	0.038	4	108.6370	0.001	5	108.6429	0.001	7	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,6a]-3:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5])(H)2	H(C[5]C[5,6a]S[5]H)	H(C[5]C[5,6a]S[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5])(H)2{2|H<1>,3|C<3>}	H(C[5]C[5,6a]S[5]H)	H(C[5]C[5,6a]S[5]H)	108.6370	0.000	1	108.6370	0.001	5	108.6429	0.001	7	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5,6a]-3:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]N[6a])(S[5]C[5])(H)2	H(C[5]C[5,6a]S[5]H)	H(C[5]C[5,6a]S[5]H)	C[5](C[5,6a]C[5,6a]N[6a])(S[5]C[5])(H)2{1|C<3>,1|N<2>,2|H<1>}	H(C[5]C[5,6a]S[5]H)	H(C[5]C[5,6a]S[5]H)	108.6575	0.052	2	108.6575	0.003	2	108.6429	0.001	7	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:As[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]N)(As[5]P[5])(H)2	H(C[5]As[5]C[5]H)	H(C[5]As[5]C[5]H)	C[5](C[5]C[5]N)(As[5]P[5])(H)2{3|C<3>}	H(C[5]As[5]C[5]H)	H(C[5]As[5]C[5]H)	107.4880	0.000	1	107.4880	0.000	1	107.4880	0.000	1	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:N[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C)(N[5]C[5])(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]C)(N[5]C[5])(H)2{3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.6170	0.000	1	108.6170	0.000	1	108.1336	1.688	14	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:N[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C)(N[5]N[5])(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]C)(N[5]N[5])(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.6760	0.000	1	108.6760	0.000	1	108.1336	1.688	14	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:N[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]H)(N[5]C[5])(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]H)(N[5]C[5])(H)2{1|O<1>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	103.7580	0.000	1	103.7580	0.000	1	108.1336	1.688	14	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:N[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5])(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]O)(N[5]C[5])(H)2{1|C<3>,1|N<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.5932	0.067	4	108.5888	0.004	5	108.1336	1.688	14	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:N[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5])(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]O)(N[5]C[5])(H)2{1|C<4>,1|N<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.5710	0.000	1	108.5888	0.004	5	108.1336	1.688	14	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:N[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]C)(N[5]C[5])(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]C)(N[5]C[5])(H)2{1|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8840	0.000	1	108.8955	0.000	2	108.1336	1.688	14	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:N[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]C)(N[5]C[5])(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]C)(N[5]C[5])(H)2{1|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9070	0.000	1	108.8955	0.000	2	108.1336	1.688	14	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:N[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]S[5]C)(N[5]C[5])(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]C)(N[5]C[5])(H)2{1|N<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.0210	0.061	4	108.0210	0.004	4	108.1336	1.688	14	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3,5,6]C)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[3,5,6]C)(O[5]C[5,6])(H)2{2|C<4>,2|O<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7800	0.000	1	108.7800	0.000	1	108.7004	0.876	140	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[4,5]C)(O[5]C[4,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[4,5]C)(O[5]C[4,5])(H)2{1|Cl<1>,1|N<3>,2|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.5570	0.000	1	108.5570	0.000	1	108.7004	0.876	140	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]O)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5,6]O)(O[5]C[5,6])(H)2{1|O<2>,3|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7100	0.028	2	108.7100	0.001	2	108.7004	0.876	140	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]C)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6920	0.000	1	108.6920	0.000	1	108.7004	0.876	140	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]C)(O[5]C[5])(H)2{1|O<1>,2|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8460	0.000	1	108.8460	0.000	1	108.7004	0.876	140	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]O)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]O)(O[5]C[5,5])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6240	0.000	1	108.7225	0.019	2	108.7004	0.876	140	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]O)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]O)(O[5]C[5,5])(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8210	0.000	1	108.7225	0.019	2	108.7004	0.876	140	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6,6]H)(O[5]C[5,3x6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6,6]H)(O[5]C[5,3x6])(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7740	0.000	1	108.7740	0.000	1	108.7004	0.876	140	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]C)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]C)(O[5]C[5,6])(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9657	0.170	9	108.9331	0.029	11	108.7004	0.876	140	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]C)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]C)(O[5]C[5,6])(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8180	0.000	1	108.9331	0.029	11	108.7004	0.876	140	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]C)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]C)(O[5]C[5,6])(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7550	0.000	1	108.9331	0.029	11	108.7004	0.876	140	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]C[4])(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]C[4])(O[5]C[5])(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8560	0.000	1	108.8560	0.000	1	108.7004	0.876	140	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]H)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]H)(O[5]C[5,6])(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7700	0.000	1	108.7700	0.000	1	108.7004	0.876	140	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]O)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]O)(O[5]C[5,6])(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7480	0.078	2	108.7587	0.003	3	108.7004	0.876	140	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]O)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]O)(O[5]C[5,6])(H)2{1|O<2>,3|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7800	0.000	1	108.7587	0.003	3	108.7004	0.876	140	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(H)2{2|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6410	0.000	1	108.6410	0.000	1	108.7004	0.876	140	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]2)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]2)(O[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8350	0.000	1	108.8109	0.006	19	108.7004	0.876	140	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]2)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]2)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8255	0.077	2	108.8109	0.006	19	108.7004	0.876	140	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]2)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]2)(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8310	0.000	1	108.8109	0.006	19	108.7004	0.876	140	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]2)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]2)(O[5]C[5])(H)2{1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8330	0.048	2	108.8109	0.006	19	108.7004	0.876	140	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]2)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]2)(O[5]C[5])(H)2{1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8031	0.093	12	108.8109	0.006	19	108.7004	0.876	140	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]2)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]2)(O[5]C[5])(H)2{1|O<1>,4|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7870	0.000	1	108.8109	0.006	19	108.7004	0.876	140	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]C)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9513	0.294	4	108.3189	3.501	28	108.7004	0.876	140	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]C)(O[5]C[5])(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6580	0.198	2	108.3189	3.501	28	108.7004	0.876	140	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]C)(O[5]C[5])(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7373	0.084	6	108.3189	3.501	28	108.7004	0.876	140	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]C)(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7270	0.000	1	108.3189	3.501	28	108.7004	0.876	140	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]C)(O[5]C[5])(H)2{1|C<4>,1|S<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	105.8500	0.000	1	108.3189	3.501	28	108.7004	0.876	140	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]C)(O[5]C[5])(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6748	0.087	4	108.3189	3.501	28	108.7004	0.876	140	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]C)(O[5]C[5])(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.0397	0.319	3	108.3189	3.501	28	108.7004	0.876	140	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]C)(O[5]C[5])(H)2{1|O<2>,3|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	105.3218	5.246	3	108.3189	3.501	28	108.7004	0.876	140	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]C)(O[5]C[5])(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7075	0.054	2	108.3189	3.501	28	108.7004	0.876	140	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]C)(O[5]C[5])(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8050	0.000	2	108.3189	3.501	28	108.7004	0.876	140	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C)(O[5]N[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]C)(O[5]N[5])(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7110	0.000	1	108.8250	0.012	3	108.7004	0.876	140	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C)(O[5]N[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]C)(O[5]N[5])(H)2{1|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9300	0.000	1	108.8250	0.012	3	108.7004	0.876	140	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C)(O[5]N[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]C)(O[5]N[5])(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8340	0.000	1	108.8250	0.012	3	108.7004	0.876	140	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C[6])(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]C[6])(O[5]C[5])(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9395	0.131	2	108.9395	0.017	2	108.7004	0.876	140	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8730	0.000	1	108.6918	0.294	17	108.7004	0.876	140	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]H)(O[5]C[5])(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8577	0.171	4	108.6918	0.294	17	108.7004	0.876	140	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]H)(O[5]C[5])(H)2{1|Si<4>,1|C<3>,1|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.4520	0.000	1	108.6918	0.294	17	108.7004	0.876	140	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]H)(O[5]C[5])(H)2{3|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9410	0.000	1	108.6918	0.294	17	108.7004	0.876	140	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]H)(O[5]C[5])(H)2{3|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6698	0.433	5	108.6918	0.294	17	108.7004	0.876	140	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]H)(O[5]C[5])(H)2{4|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.3430	0.785	5	108.6918	0.294	17	108.7004	0.876	140	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]N)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]N)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8630	0.083	7	108.8510	0.006	9	108.7004	0.876	140	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]N)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]N)(O[5]C[5])(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8570	0.000	1	108.8510	0.006	9	108.7004	0.876	140	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]N)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]N)(O[5]C[5])(H)2{3|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7610	0.000	1	108.8510	0.006	9	108.7004	0.876	140	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]O)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]O)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9455	0.002	2	108.8161	0.008	9	108.7004	0.876	140	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]O)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]O)(O[5]C[5])(H)2{1|C<3>,1|O<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7360	0.035	2	108.8161	0.008	9	108.7004	0.876	140	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]O)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]O)(O[5]C[5])(H)2{1|C<4>,1|N<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7910	0.068	3	108.8161	0.008	9	108.7004	0.876	140	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]O)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]O)(O[5]C[5])(H)2{1|C<4>,1|O<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8045	0.076	2	108.8161	0.008	9	108.7004	0.876	140	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5])(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]C[5])(O[5]C[5])(H)2{1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7217	0.097	6	108.4793	0.511	8	108.7004	0.876	140	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5])(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]C[5])(O[5]C[5])(H)2{1|O<1>,3|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	106.7230	0.000	1	108.4793	0.511	8	108.7004	0.876	140	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5])(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]C[5])(O[5]C[5])(H)2{2|H<1>,3|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7810	0.000	1	108.4793	0.511	8	108.7004	0.876	140	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5])(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5])(O[5]C[5,5])(H)2{2|C<3>,2|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.4330	0.000	1	108.4330	0.000	1	108.7004	0.876	140	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5]O)(O[5]C[3x5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,5]O)(O[5]C[3x5])(H)2{3|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7880	0.000	1	108.7880	0.000	1	108.7004	0.876	140	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]C)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]C)(O[5]C[5])(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.0840	0.000	1	108.9663	0.017	4	108.7004	0.876	140	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]C)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]C)(O[5]C[5])(H)2{1|C<3>,1|S<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8340	0.000	1	108.9663	0.017	4	108.7004	0.876	140	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]C)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]C)(O[5]C[5])(H)2{1|Mn<6>,1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.0690	0.000	1	108.9663	0.017	4	108.7004	0.876	140	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]C)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]C)(O[5]C[5])(H)2{1|O<1>,1|S<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8780	0.000	1	108.9663	0.017	4	108.7004	0.876	140	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]C)(O[5]P[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]C)(O[5]P[5])(H)2{1|B<4>,1|C<2>,1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.3310	0.000	1	108.2240	0.023	2	108.7004	0.876	140	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]C)(O[5]P[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]C)(O[5]P[5])(H)2{1|B<4>,1|C<3>,1|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.1170	0.000	1	108.2240	0.023	2	108.7004	0.876	140	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]O)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]O)(O[5]C[5])(H)2{1|C<4>,1|S<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	107.3970	0.000	1	108.4495	0.499	4	108.7004	0.876	140	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]O)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]O)(O[5]C[5])(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8003	0.103	3	108.4495	0.499	4	108.7004	0.876	140	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[6a]C[5])(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[6a]C[5])(O[5]C[5])(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9960	0.071	2	108.9960	0.005	2	108.7004	0.876	140	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]C)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]C)(O[5]C[5])(H)2{1|N<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.0645	0.013	2	109.0645	0.000	2	108.7004	0.876	140	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]O)(O[5]Si[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]O)(O[5]Si[5])(H)2{1|F<1>,2|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	110.8475	0.146	2	110.8475	0.021	2	108.7004	0.876	140	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]S[5]C)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]S[5]C)(O[5]C[5])(H)2{1|N<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.2910	0.000	1	108.2910	0.000	1	108.7004	0.876	140	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]C)(S[5]C[5])(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.7120	0.000	1	108.7120	0.000	1	108.6582	1.952	101	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]H)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]H)(S[5]C[5])(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.8275	0.045	2	108.7993	0.003	3	108.6582	1.952	101	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]H)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]H)(S[5]C[5])(H)2{1|N<3>,2|C<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.7430	0.000	1	108.7993	0.003	3	108.6582	1.952	101	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]O)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]O)(S[5]C[5])(H)2{1|C<2>,1|N<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.4470	0.000	1	108.5143	0.028	3	108.6582	1.952	101	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]O)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]O)(S[5]C[5])(H)2{1|C<3>,1|S<2>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.3910	0.000	1	108.5143	0.028	3	108.6582	1.952	101	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]O)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]O)(S[5]C[5])(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.7050	0.000	1	108.5143	0.028	3	108.6582	1.952	101	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5])(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[6a]C[5])(S[5]C[5])(H)2{2|H<1>,3|C<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.6530	0.000	1	108.6530	0.000	1	108.6582	1.952	101	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6]O)(S[5]C[5,6])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5,6]O)(S[5]C[5,6])(H)2{1|C<4>,1|N<2>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.4520	0.000	1	108.4510	0.000	2	108.6582	1.952	101	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6]O)(S[5]C[5,6])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5,6]O)(S[5]C[5,6])(H)2{1|N<2>,1|N<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.4500	0.000	1	108.4510	0.000	2	108.6582	1.952	101	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]H)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]H)(S[5]C[5])(H)2{1|H<1>,1|S<2>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	101.6410	0.000	1	101.6410	0.000	1	108.6582	1.952	101	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]O)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|C<2>,1|C<3>,1|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.3440	0.000	1	108.7431	1.648	89	108.6582	1.952	101	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]O)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.5170	0.116	10	108.7431	1.648	89	108.6582	1.952	101	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]O)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|C<3>,1|H<1>,1|N<2>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.4840	0.000	1	108.7431	1.648	89	108.6582	1.952	101	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]O)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.5220	0.000	1	108.7431	1.648	89	108.6582	1.952	101	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]O)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	106.4105	2.904	2	108.7431	1.648	89	108.6582	1.952	101	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]O)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|C<3>,1|N<2>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.4221	0.049	8	108.7431	1.648	89	108.6582	1.952	101	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]O)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|C<3>,1|S<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.5770	0.025	3	108.7431	1.648	89	108.6582	1.952	101	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]O)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|C<4>,1|N<2>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.4122	0.045	5	108.7431	1.648	89	108.6582	1.952	101	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]O)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.6067	0.219	3	108.7431	1.648	89	108.6582	1.952	101	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]O)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|C<4>,1|S<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.4765	0.105	2	108.7431	1.648	89	108.6582	1.952	101	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]O)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|Fe<6>,1|N<2>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.5370	0.000	1	108.7431	1.648	89	108.6582	1.952	101	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]O)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|H<1>,1|N<2>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	109.0067	1.124	4	108.7431	1.648	89	108.6582	1.952	101	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]O)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|H<1>,1|N<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.5260	0.000	1	108.7431	1.648	89	108.6582	1.952	101	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]O)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|H<1>,1|S<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	109.8270	0.000	1	108.7431	1.648	89	108.6582	1.952	101	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]O)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.5558	0.236	24	108.7431	1.648	89	108.6582	1.952	101	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]O)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.5473	0.039	3	108.7431	1.648	89	108.6582	1.952	101	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]O)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|N<2>,1|N<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.5925	0.110	2	108.7431	1.648	89	108.6582	1.952	101	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]O)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|N<2>,1|S<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	113.2197	4.157	3	108.7431	1.648	89	108.6582	1.952	101	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]O)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|N<3>,1|O<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	112.2410	0.000	1	108.7431	1.648	89	108.6582	1.952	101	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]O)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|N<3>,1|S<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.5265	0.023	2	108.7431	1.648	89	108.6582	1.952	101	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]O)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|N<3>,2|C<4>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.5500	0.000	1	108.7431	1.648	89	108.6582	1.952	101	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]O)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|N<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	109.1258	1.171	6	108.7431	1.648	89	108.6582	1.952	101	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]O)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]O)(S[5]C[5])(H)2{2|C<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.3778	0.119	4	108.7431	1.648	89	108.6582	1.952	101	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]O)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]O[5]O)(S[5]C[5])(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.4970	0.000	1	108.4970	0.000	1	108.6582	1.952	101	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	N[5,5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(O[5]B[5])(H)2	H(C[5]N[5,5]O[5]H)	H(C[5]N[5,5]O[5]H)	C[5](N[5,5]N[5,5]C[5])(O[5]B[5])(H)2{1|C<4>,4|C<3>}	H(C[5]N[5,5]O[5]H)	H(C[5]N[5,5]O[5]H)	109.0250	0.000	1	109.0250	0.000	1	109.0250	0.000	1	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	N[5,5]-3:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[3x5]C[5,5])(S[5]C[5])(H)2	H(C[5]N[5,5]S[5]H)	H(C[5]N[5,5]S[5]H)	C[5](N[5,5]C[3x5]C[5,5])(S[5]C[5])(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]N[5,5]S[5]H)	H(C[5]N[5,5]S[5]H)	108.5380	0.000	1	108.5380	0.000	1	108.7888	0.897	42	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	N[5,5]-3:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2	H(C[5]N[5,5]S[5]H)	H(C[5]N[5,5]S[5]H)	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]N[5,5]S[5]H)	H(C[5]N[5,5]S[5]H)	108.6865	0.267	28	108.6707	0.070	30	108.7888	0.897	42	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	N[5,5]-3:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2	H(C[5]N[5,5]S[5]H)	H(C[5]N[5,5]S[5]H)	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2{3|C<4>,4|H<1>}	H(C[5]N[5,5]S[5]H)	H(C[5]N[5,5]S[5]H)	108.4810	0.000	1	108.6707	0.070	30	108.7888	0.897	42	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	N[5,5]-3:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2	H(C[5]N[5,5]S[5]H)	H(C[5]N[5,5]S[5]H)	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2{3|H<1>,4|C<3>}	H(C[5]N[5,5]S[5]H)	H(C[5]N[5,5]S[5]H)	108.4180	0.000	1	108.6707	0.070	30	108.7888	0.897	42	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	N[5,5]-3:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(S[5]C[5])(H)2	H(C[5]N[5,5]S[5]H)	H(C[5]N[5,5]S[5]H)	C[5](N[5,5]C[5,5]C[5])(S[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]N[5,5]S[5]H)	H(C[5]N[5,5]S[5]H)	108.4570	0.083	2	108.7312	0.129	9	108.7888	0.897	42	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	N[5,5]-3:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(S[5]C[5])(H)2	H(C[5]N[5,5]S[5]H)	H(C[5]N[5,5]S[5]H)	C[5](N[5,5]C[5,5]C[5])(S[5]C[5])(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]N[5,5]S[5]H)	H(C[5]N[5,5]S[5]H)	108.6113	0.030	3	108.7312	0.129	9	108.7888	0.897	42	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	N[5,5]-3:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(S[5]C[5])(H)2	H(C[5]N[5,5]S[5]H)	H(C[5]N[5,5]S[5]H)	C[5](N[5,5]C[5,5]C[5])(S[5]C[5])(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]N[5,5]S[5]H)	H(C[5]N[5,5]S[5]H)	108.9583	0.456	4	108.7312	0.129	9	108.7888	0.897	42	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	N[5,5]-3:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(S[5]C[5])(H)2	H(C[5]N[5,5]S[5]H)	H(C[5]N[5,5]S[5]H)	C[5](N[5,5]N[5,5]C[5])(S[5]C[5])(H)2{1|C<4>,1|S<2>,4|H<1>}	H(C[5]N[5,5]S[5]H)	H(C[5]N[5,5]S[5]H)	110.9460	4.889	2	110.9460	23.902	2	108.7888	0.897	42	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	N[5,6]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(H)2	H(C[5]N[5,6]O[5]H)	H(C[5]N[5,6]O[5]H)	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5]N[5,6]O[5]H)	H(C[5]N[5,6]O[5]H)	108.7340	0.000	1	108.7723	0.006	3	108.7723	0.006	3	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	N[5,6]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(H)2	H(C[5]N[5,6]O[5]H)	H(C[5]N[5,6]O[5]H)	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]N[5,6]O[5]H)	H(C[5]N[5,6]O[5]H)	108.7915	0.103	2	108.7723	0.006	3	108.7723	0.006	3	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	N[5,6]-3:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(S[5]C[5])(H)2	H(C[5]N[5,6]S[5]H)	H(C[5]N[5,6]S[5]H)	C[5](N[5,6]C[5,6]C[6])(S[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5]N[5,6]S[5]H)	H(C[5]N[5,6]S[5]H)	108.7126	0.030	5	108.7126	0.001	5	108.7126	0.001	5	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	N[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,5]C)(O[5]C[5,5])(H)2	H(C[5]N[5]O[5]H)	H(C[5]N[5]O[5]H)	C[5](N[5]C[5,5]C)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]N[5]O[5]H)	H(C[5]N[5]O[5]H)	108.4990	0.000	1	108.4990	0.000	1	108.7389	0.062	10	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	N[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(H)2	H(C[5]N[5]O[5]H)	H(C[5]N[5]O[5]H)	C[5](N[5]C[5]C)(O[5]C[5])(H)2{1|C<3>,3|H<1>}	H(C[5]N[5]O[5]H)	H(C[5]N[5]O[5]H)	108.3730	0.294	2	108.7501	0.068	8	108.7389	0.062	10	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	N[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(H)2	H(C[5]N[5]O[5]H)	H(C[5]N[5]O[5]H)	C[5](N[5]C[5]C)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>}	H(C[5]N[5]O[5]H)	H(C[5]N[5]O[5]H)	108.8867	0.037	3	108.7501	0.068	8	108.7389	0.062	10	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	N[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(H)2	H(C[5]N[5]O[5]H)	H(C[5]N[5]O[5]H)	C[5](N[5]C[5]C)(O[5]C[5])(H)2{1|C<4>,3|H<1>}	H(C[5]N[5]O[5]H)	H(C[5]N[5]O[5]H)	108.8030	0.000	1	108.7501	0.068	8	108.7389	0.062	10	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	N[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(H)2	H(C[5]N[5]O[5]H)	H(C[5]N[5]O[5]H)	C[5](N[5]C[5]C)(O[5]C[5])(H)2{1|O<1>,2|C<4>}	H(C[5]N[5]O[5]H)	H(C[5]N[5]O[5]H)	108.8870	0.000	1	108.7501	0.068	8	108.7389	0.062	10	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	N[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(H)2	H(C[5]N[5]O[5]H)	H(C[5]N[5]O[5]H)	C[5](N[5]C[5]C)(O[5]C[5])(H)2{2|C<3>,2|H<1>}	H(C[5]N[5]O[5]H)	H(C[5]N[5]O[5]H)	108.9050	0.000	1	108.7501	0.068	8	108.7389	0.062	10	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	N[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]S)(O[5]C[5])(H)2	H(C[5]N[5]O[5]H)	H(C[5]N[5]O[5]H)	C[5](N[5]C[5]S)(O[5]C[5])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]N[5]O[5]H)	H(C[5]N[5]O[5]H)	108.8890	0.000	1	108.8890	0.000	1	108.7389	0.062	10	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	N[5]-3:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]C)(S[5]C[5])(H)2	H(C[5]N[5]S[5]H)	H(C[5]N[5]S[5]H)	C[5](N[5]C[5]C)(S[5]C[5])(H)2{1|C<3>,3|H<1>}	H(C[5]N[5]S[5]H)	H(C[5]N[5]S[5]H)	109.0470	0.095	2	109.0480	0.071	5	109.0480	0.071	5	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	N[5]-3:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]C)(S[5]C[5])(H)2	H(C[5]N[5]S[5]H)	H(C[5]N[5]S[5]H)	C[5](N[5]C[5]C)(S[5]C[5])(H)2{1|C<4>,3|H<1>}	H(C[5]N[5]S[5]H)	H(C[5]N[5]S[5]H)	109.0487	0.371	3	109.0480	0.071	5	109.0480	0.071	5	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:2:1:1:	4:	4:	O[5]-3:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](O[5]C[5,6a]Li)(O[5]C[5,6a])(H)2	H(C[5]O[5]2H)	H(C[5]O[5]2H)	C[5](O[5]C[5,6a]Li)(O[5]C[5,6a])(H)2{2|C<3>}	H(C[5]O[5]2H)	H(C[5]O[5]2H)	108.4150	0.000	1	108.4150	0.000	1	108.4150	0.000	1	108.8357	1.264	547	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	B[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](B[5]C[6a]N[5])(C[5]C[6a]N[5])(H)2	H(C[5]B[5]C[5]H)	H(C[5]B[5]C[5]H)	C[5](B[5]C[6a]N[5])(C[5]C[6a]N[5])(H)2{5|C<3>}	H(C[5]B[5]C[5]H)	H(C[5]B[5]C[5]H)	109.2960	0.038	3	109.2960	0.001	3	109.2960	0.001	3	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	B[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](B[5]C[6a]C[5])(N[5]C[5]C)(H)2	H(C[5]B[5]N[5]H)	H(C[5]B[5]N[5]H)	C[5](B[5]C[6a]C[5])(N[5]C[5]C)(H)2{4|C<3>}	H(C[5]B[5]N[5]H)	H(C[5]B[5]N[5]H)	109.0510	0.000	1	109.0510	0.000	1	108.9390	0.025	2	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	B[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](B[5]C[6a]C[5])(N[5]C[6a]C[5])(H)2	H(C[5]B[5]N[5]H)	H(C[5]B[5]N[5]H)	C[5](B[5]C[6a]C[5])(N[5]C[6a]C[5])(H)2{1|C<4>,1|P<3>,4|C<3>}	H(C[5]B[5]N[5]H)	H(C[5]B[5]N[5]H)	108.8270	0.000	1	108.8270	0.000	1	108.9390	0.025	2	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,5]-3:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	109.3877	0.024	4	109.3877	0.001	4	109.3877	0.001	4	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]O)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	105.3700	0.000	2	105.3700	0.000	2	106.6780	5.133	3	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.2940	0.000	1	109.2940	0.000	1	106.6780	5.133	3	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5])(N[5]C[5,6]S)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5,6]C[5])(N[5]C[5,6]S)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	109.0470	0.000	1	109.0470	0.000	1	109.2749	0.013	15	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5])(N[5]C[5]C)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5])(N[5]C[5]C)(H)2{1|B<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	109.3785	0.090	2	109.3272	0.009	4	109.2749	0.013	15	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5])(N[5]C[5]C)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5])(N[5]C[5]C)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	109.2090	0.000	1	109.3272	0.009	4	109.2749	0.013	15	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5])(N[5]C[5]C)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5])(N[5]C[5]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	109.3430	0.000	1	109.3272	0.009	4	109.2749	0.013	15	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5])(N[5]C[5]S)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5])(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	109.3290	0.068	2	109.2413	0.010	7	109.2749	0.013	15	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5])(N[5]C[5]S)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5])(N[5]C[5]S)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	109.3120	0.000	1	109.2413	0.010	7	109.2749	0.013	15	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5])(N[5]C[5]S)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5])(N[5]C[5]S)(H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	109.1510	0.031	2	109.2413	0.010	7	109.2749	0.013	15	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5])(N[5]C[5]S)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5])(N[5]C[5]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	109.2970	0.000	1	109.2413	0.010	7	109.2749	0.013	15	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5])(N[5]C[5]S)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5])(N[5]C[5]S)(H)2{4|C<3>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	109.1200	0.000	1	109.2413	0.010	7	109.2749	0.013	15	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]S[5])(N[5]C[5]C)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]S[5])(N[5]C[5]C)(H)2{1|C<3>,1|S<2>,2|H<1>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	109.3593	0.019	3	109.3593	0.000	3	109.2749	0.013	15	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,5a]-3:C[5,5a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])2(H)2	H(C[5]C[5,5a]2H)	H(C[5]C[5,5a]2H)	C[5](C[5,5a]C[5,5a]C[5a])2(H)2{2|C<3>,2|H<1>,2|S<2>}	H(C[5]C[5,5a]2H)	H(C[5]C[5,5a]2H)	111.0700	2.203	2	111.0700	4.855	2	111.0700	4.855	2	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,5a]-3:C[5,6]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5,6]C[6])(H)2	H(C[5]C[5,5a]C[5,6]H)	H(C[5]C[5,5a]C[5,6]H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5,6]C[6])(H)2{1|H<1>,1|N<3>,1|S<4>,4|C<3>}	H(C[5]C[5,5a]C[5,6]H)	H(C[5]C[5,5a]C[5,6]H)	109.6180	0.000	1	109.6180	0.000	1	109.6180	0.000	1	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,5a]-3:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5]C[5,5a]C[5,6a]H)	H(C[5]C[5,5a]C[5,6a]H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(C[5]C[5,5a]C[5,6a]H)	H(C[5]C[5,5a]C[5,6a]H)	109.3380	0.000	1	109.3380	0.000	1	109.2990	0.003	6	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,5a]-3:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5]C[5,5a]C[5,6a]H)	H(C[5]C[5,5a]C[5,6a]H)	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,1|N<2>,3|C<3>}	H(C[5]C[5,5a]C[5,6a]H)	H(C[5]C[5,5a]C[5,6a]H)	109.3880	0.000	1	109.3880	0.000	1	109.2990	0.003	6	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,5a]-3:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5]C[5,5a]C[5,6a]H)	H(C[5]C[5,5a]C[5,6a]H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[5]C[5,5a]C[5,6a]H)	H(C[5]C[5,5a]C[5,6a]H)	109.2590	0.000	2	109.2670	0.000	4	109.2990	0.003	6	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,5a]-3:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5]C[5,5a]C[5,6a]H)	H(C[5]C[5,5a]C[5,6a]H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,5|C<3>}	H(C[5]C[5,5a]C[5,6a]H)	H(C[5]C[5,5a]C[5,6a]H)	109.2960	0.000	1	109.2670	0.000	4	109.2990	0.003	6	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,5a]-3:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5]C[5,5a]C[5,6a]H)	H(C[5]C[5,5a]C[5,6a]H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(H)2{2|H<1>,4|C<3>}	H(C[5]C[5,5a]C[5,6a]H)	H(C[5]C[5,5a]C[5,6a]H)	109.2540	0.000	1	109.2670	0.000	4	109.2990	0.003	6	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,5a]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]H)(H)2	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]H)(H)2{1|C<4>,1|N<3>,2|C<3>}	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	109.3810	0.000	1	109.3810	0.000	1	109.2252	0.019	11	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,5a]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]O)(H)2	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]O)(H)2{1|N<3>,1|O<1>,2|C<3>}	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	109.3210	0.000	1	109.3308	0.001	5	109.2252	0.019	11	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,5a]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]O)(H)2	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]O)(H)2{1|N<3>,2|C<3>,2|C<4>}	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	109.3332	0.036	4	109.3308	0.001	5	109.2252	0.019	11	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,5a]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]C)(H)2	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]C)(H)2{1|H<1>,4|C<3>}	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	109.0884	0.055	5	109.0884	0.003	5	109.2252	0.019	11	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,5a]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(H)2	H(C[5]C[5,5a]N[5]H)	H(C[5]C[5,5a]N[5]H)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(H)2{1|H<1>,1|N<2>,1|N<3>,1|O<1>}	H(C[5]C[5,5a]N[5]H)	H(C[5]C[5,5a]N[5]H)	109.3020	0.000	1	109.4317	0.009	4	109.4140	0.136	15	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,5a]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(H)2	H(C[5]C[5,5a]N[5]H)	H(C[5]C[5,5a]N[5]H)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(H)2{1|N<2>,2|H<1>,2|N<3>}	H(C[5]C[5,5a]N[5]H)	H(C[5]C[5,5a]N[5]H)	109.4750	0.054	3	109.4317	0.009	4	109.4140	0.136	15	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,5a]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C[6])(H)2	H(C[5]C[5,5a]N[5]H)	H(C[5]C[5,5a]N[5]H)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C[6])(H)2{1|N<2>,1|N<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5a]N[5]H)	H(C[5]C[5,5a]N[5]H)	109.3140	0.000	1	109.3140	0.000	1	109.4140	0.136	15	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,5a]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(H)2	H(C[5]C[5,5a]N[5]H)	H(C[5]C[5,5a]N[5]H)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(H)2{1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,5a]N[5]H)	H(C[5]C[5,5a]N[5]H)	109.3210	0.000	1	108.9290	0.311	3	109.4140	0.136	15	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,5a]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(H)2	H(C[5]C[5,5a]N[5]H)	H(C[5]C[5,5a]N[5]H)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[5,5a]N[5]H)	H(C[5]C[5,5a]N[5]H)	108.2900	0.000	1	108.9290	0.311	3	109.4140	0.136	15	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,5a]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(H)2	H(C[5]C[5,5a]N[5]H)	H(C[5]C[5,5a]N[5]H)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(H)2{1|N<3>,1|O<1>,4|C<3>}	H(C[5]C[5,5a]N[5]H)	H(C[5]C[5,5a]N[5]H)	109.1760	0.000	1	108.9290	0.311	3	109.4140	0.136	15	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,5a]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[5]C)(H)2	H(C[5]C[5,5a]N[5]H)	H(C[5]C[5,5a]N[5]H)	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[5]C)(H)2{1|N<2>,2|C<3>,2|H<1>}	H(C[5]C[5,5a]N[5]H)	H(C[5]C[5,5a]N[5]H)	109.7010	0.054	3	109.6707	0.006	4	109.4140	0.136	15	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,5a]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[5]C)(H)2	H(C[5]C[5,5a]N[5]H)	H(C[5]C[5,5a]N[5]H)	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[5]C)(H)2{1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5,5a]N[5]H)	H(C[5]C[5,5a]N[5]H)	109.5800	0.000	1	109.6707	0.006	4	109.4140	0.136	15	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,5a]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[5]C[6])(H)2	H(C[5]C[5,5a]N[5]H)	H(C[5]C[5,5a]N[5]H)	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[5]C[6])(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5a]N[5]H)	H(C[5]C[5,5a]N[5]H)	109.4490	0.000	1	109.4490	0.000	1	109.4140	0.136	15	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,5a]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[6a]C[5])(H)2	H(C[5]C[5,5a]N[5]H)	H(C[5]C[5,5a]N[5]H)	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[6a]C[5])(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[5,5a]N[5]H)	H(C[5]C[5,5a]N[5]H)	109.9120	0.000	1	109.9120	0.000	1	109.4140	0.136	15	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,5a]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(N[5]C[5]C)(H)2	H(C[5]C[5,5a]N[5]H)	H(C[5]C[5,5a]N[5]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(N[5]C[5]C)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5,5a]N[5]H)	H(C[5]C[5,5a]N[5]H)	109.3380	0.000	1	109.3380	0.000	1	109.4140	0.136	15	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6,6]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6])(N[5]C[5]S)(H)2	H(C[5]C[5,6,6]N[5]H)	H(C[5]C[5,6,6]N[5]H)	C[5](C[5,6,6]C[5,3x6]C[6,6])(N[5]C[5]S)(H)2{2|H<1>,4|C<4>}	H(C[5]C[5,6,6]N[5]H)	H(C[5]C[5,6,6]N[5]H)	109.4820	0.000	1	109.4820	0.000	1	108.6133	3.487	3	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6,6]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6])(N[5]C[5]S)(H)2	H(C[5]C[5,6,6]N[5]H)	H(C[5]C[5,6,6]N[5]H)	C[5](C[5,6,6]C[5,6,6]C[3x6])(N[5]C[5]S)(H)2{1|N<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6,6]N[5]H)	H(C[5]C[5,6,6]N[5]H)	108.1790	2.417	2	108.1790	5.841	2	108.6133	3.487	3	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6]-3:C[5,6]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])2(H)2	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6]C[6])2(H)2{2|C<3>,2|H<1>,2|N<3>}	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	109.0707	0.130	3	109.0707	0.017	3	109.0707	0.017	3	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]O)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0750	0.052	2	109.0750	0.003	2	105.3187	42.330	3	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]P[5])(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]P[5])(H)2{1|H<1>,2|C<3>,2|P<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	97.8062	0.000	1	97.8062	0.000	1	105.3187	42.330	3	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6]-3:N[5,6]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(N[5,6]C[5,6]C[6])(H)2	H(C[5]C[5,6]N[5,6]H)	H(C[5]C[5,6]N[5,6]H)	C[5](C[5,6]C[5,6]C[6])(N[5,6]C[5,6]C[6])(H)2{2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6]N[5,6]H)	H(C[5]C[5,6]N[5,6]H)	106.4380	0.000	1	106.4380	0.000	1	106.4380	0.000	1	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]2)(N[5]C[5]S)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]2)(N[5]C[5]S)(H)2{3|C<4>,3|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	109.2013	0.049	3	109.2013	0.002	3	109.0149	0.507	30	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6])(N[5]C[5]S)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6,6])(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	109.4200	0.000	1	109.4200	0.000	1	109.0149	0.507	30	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	109.1750	0.000	1	109.1309	0.004	9	109.0149	0.507	30	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	109.1332	0.061	6	109.1309	0.004	9	109.0149	0.507	30	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	109.1020	0.089	2	109.1309	0.004	9	109.0149	0.507	30	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	109.1340	0.000	1	108.9071	1.233	12	109.0149	0.507	30	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	109.4240	0.000	1	108.9071	1.233	12	109.0149	0.507	30	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	109.2320	0.000	1	108.9071	1.233	12	109.0149	0.507	30	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	108.0893	2.302	3	108.9071	1.233	12	109.0149	0.507	30	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	109.1420	0.000	1	108.9071	1.233	12	109.0149	0.507	30	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	109.3285	0.029	2	108.9071	1.233	12	109.0149	0.507	30	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2{2|C<4>,4|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	108.9650	0.276	2	108.9071	1.233	12	109.0149	0.507	30	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2{2|H<1>,4|C<4>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	109.0980	0.000	1	108.9071	1.233	12	109.0149	0.507	30	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6])(N[5]C[5]C)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[6,6a]C[5,6])(N[5]C[5]C)(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	109.1900	0.000	1	109.1900	0.000	1	109.0149	0.507	30	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]C)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]C)(H)2{2|H<1>,3|C<3>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	109.1520	0.000	1	109.1520	0.000	1	109.0149	0.507	30	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6])(N[5]C[6a]B[5])(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]N[5,6]C[6])(N[5]C[6a]B[5])(H)2{1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	108.6530	0.000	1	108.8115	0.050	2	109.0149	0.507	30	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6])(N[5]C[6a]B[5])(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]N[5,6]C[6])(N[5]C[6a]B[5])(H)2{3|H<1>,4|C<3>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	108.9700	0.000	1	108.8115	0.050	2	109.0149	0.507	30	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6])(N[5]C[6a]Si[5])(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]N[5,6]C[6])(N[5]C[6a]Si[5])(H)2{3|Cl<1>,1|H<1>,4|C<3>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	108.3940	0.000	1	108.3940	0.000	1	109.0149	0.507	30	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:B[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(B[5]N[5]2)(H)2	H(C[5]C[5,6a]B[5]H)	H(C[5]C[5,6a]B[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(B[5]N[5]2)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[5,6a]B[5]H)	H(C[5]C[5,6a]B[5]H)	109.2740	0.000	1	109.2740	0.000	1	109.2130	0.007	2	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:B[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(B[5]N[5]N)(H)2	H(C[5]C[5,6a]B[5]H)	H(C[5]C[5,6a]B[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(B[5]N[5]N)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5,6a]B[5]H)	H(C[5]C[5,6a]B[5]H)	109.1520	0.000	1	109.1520	0.000	1	109.2130	0.007	2	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5,5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(H)2	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(H)2{1|Si<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	109.3230	0.000	1	109.3230	0.000	1	109.3230	0.000	1	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5,5a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5,5a]2)(H)2	H(C[5]C[5,5a]C[5,6a]H)	H(C[5]C[5,5a]C[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5,5a]2)(H)2{1|C<4>,1|H<1>,1|S<2>,3|C<3>}	H(C[5]C[5,5a]C[5,6a]H)	H(C[5]C[5,5a]C[5,6a]H)	109.2550	0.000	2	109.2550	0.000	2	109.2550	0.000	2	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5,6]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6])(H)2	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	105.7880	0.642	2	107.9508	4.025	5	108.7568	2.263	12	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5,6]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6])(H)2	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6])(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	109.1410	0.000	1	107.9508	4.025	5	108.7568	2.263	12	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5,6]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6])(H)2	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6])(H)2{1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	109.5185	0.012	2	107.9508	4.025	5	108.7568	2.263	12	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5,6]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H)2	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	110.9740	0.000	1	109.3326	0.538	7	108.7568	2.263	12	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5,6]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H)2	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	109.0580	0.000	1	109.3326	0.538	7	108.7568	2.263	12	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5,6]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H)2	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H)2{1|N<3>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	109.1000	0.000	1	109.3326	0.538	7	108.7568	2.263	12	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5,6]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H)2	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	109.1250	0.240	2	109.3326	0.538	7	108.7568	2.263	12	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5,6]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H)2	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	108.9730	0.000	2	109.3326	0.538	7	108.7568	2.263	12	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6,6a]C[6a])2(H)2	H(C[5]C[5,6a]2H)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5,6,6a]C[6a])2(H)2{2|H<1>,4|C<3>}	H(C[5]C[5,6a]2H)	H(C[5]C[5,6a]2H)	109.1743	0.059	3	109.1743	0.004	3	108.9285	3.172	121	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5,6a,6a]C[6a])(H)2	H(C[5]C[5,6a]2H)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5,6a,6a]C[6a])(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[5]C[5,6a]2H)	H(C[5]C[5,6a]2H)	109.0230	0.000	1	109.0230	0.000	1	108.9285	3.172	121	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6,6a])(C[5,6a]C[5,6a,6a]C[6a])(H)2	H(C[5]C[5,6a]2H)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5,6a,6a]C[6,6a])(C[5,6a]C[5,6a,6a]C[6a])(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[5]C[5,6a]2H)	H(C[5]C[5,6a]2H)	108.9350	0.000	1	108.9350	0.000	1	108.9285	3.172	121	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])2(H)2	H(C[5]C[5,6a]2H)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5,6a,6a]C[6a])2(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[5]C[5,6a]2H)	H(C[5]C[5,6a]2H)	109.0866	0.091	5	108.5358	4.007	34	108.9285	3.172	121	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])2(H)2	H(C[5]C[5,6a]2H)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5,6a,6a]C[6a])2(H)2{1|S<1>,1|S<2>,4|C<3>}	H(C[5]C[5,6a]2H)	H(C[5]C[5,6a]2H)	109.4240	0.000	1	108.5358	4.007	34	108.9285	3.172	121	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])2(H)2	H(C[5]C[5,6a]2H)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5,6a,6a]C[6a])2(H)2{2|H<1>,4|C<3>}	H(C[5]C[5,6a]2H)	H(C[5]C[5,6a]2H)	107.5929	2.906	14	108.5358	4.007	34	108.9285	3.172	121	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])2(H)2	H(C[5]C[5,6a]2H)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5,6a,6a]C[6a])2(H)2{2|S<2>,4|C<3>}	H(C[5]C[5,6a]2H)	H(C[5]C[5,6a]2H)	109.2186	0.289	14	108.5358	4.007	34	108.9285	3.172	121	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(H)2	H(C[5]C[5,6a]2H)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[5]C[5,6a]2H)	H(C[5]C[5,6a]2H)	109.1220	0.000	1	109.1220	0.000	1	108.9285	3.172	121	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(H)2	H(C[5]C[5,6a]2H)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(H)2{1|H<1>,1|N<2>,3|C<3>}	H(C[5]C[5,6a]2H)	H(C[5]C[5,6a]2H)	109.2440	0.000	1	109.2440	0.000	1	108.9285	3.172	121	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(H)2	H(C[5]C[5,6a]2H)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5,6a]C[6a])2(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[5]C[5,6a]2H)	H(C[5]C[5,6a]2H)	108.4543	1.626	8	109.1035	3.792	64	108.9285	3.172	121	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(H)2	H(C[5]C[5,6a]2H)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5,6a]C[6a])2(H)2{1|H<1>,1|N<2>,4|C<3>}	H(C[5]C[5,6a]2H)	H(C[5]C[5,6a]2H)	109.1287	0.063	4	109.1035	3.792	64	108.9285	3.172	121	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(H)2	H(C[5]C[5,6a]2H)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5,6a]C[6a])2(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[5]C[5,6a]2H)	H(C[5]C[5,6a]2H)	109.1990	0.000	1	109.1035	3.792	64	108.9285	3.172	121	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(H)2	H(C[5]C[5,6a]2H)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5,6a]C[6a])2(H)2{1|H<1>,1|O<2>,4|C<3>}	H(C[5]C[5,6a]2H)	H(C[5]C[5,6a]2H)	109.1520	0.000	1	109.1035	3.792	64	108.9285	3.172	121	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(H)2	H(C[5]C[5,6a]2H)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5,6a]C[6a])2(H)2{1|H<1>,5|C<3>}	H(C[5]C[5,6a]2H)	H(C[5]C[5,6a]2H)	108.3845	2.078	8	109.1035	3.792	64	108.9285	3.172	121	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(H)2	H(C[5]C[5,6a]2H)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5,6a]C[6a])2(H)2{2|C<3>,2|H<1>,2|N<2>}	H(C[5]C[5,6a]2H)	H(C[5]C[5,6a]2H)	109.2370	0.000	1	109.1035	3.792	64	108.9285	3.172	121	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(H)2	H(C[5]C[5,6a]2H)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5,6a]C[6a])2(H)2{2|H<1>,4|C<3>}	H(C[5]C[5,6a]2H)	H(C[5]C[5,6a]2H)	109.4435	2.208	37	109.1035	3.792	64	108.9285	3.172	121	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(H)2	H(C[5]C[5,6a]2H)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5,6a]C[6a])2(H)2{2|N<3>,4|C<3>}	H(C[5]C[5,6a]2H)	H(C[5]C[5,6a]2H)	107.6440	0.000	1	109.1035	3.792	64	108.9285	3.172	121	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(H)2	H(C[5]C[5,6a]2H)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5,6a]C[6a])2(H)2{2|O<2>,4|C<3>}	H(C[5]C[5,6a]2H)	H(C[5]C[5,6a]2H)	108.9193	0.561	3	109.1035	3.792	64	108.9285	3.172	121	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5]C[5,6a]2H)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,5|C<3>}	H(C[5]C[5,6a]2H)	H(C[5]C[5,6a]2H)	109.1210	0.000	1	109.1210	0.000	1	108.9285	3.172	121	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[6,6,6a]C[5,6a])2(H)2	H(C[5]C[5,6a]2H)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[6,6,6a]C[5,6a])2(H)2{2|C<4>,4|C<3>}	H(C[5]C[5,6a]2H)	H(C[5]C[5,6a]2H)	109.1140	0.064	2	109.1140	0.004	2	108.9285	3.172	121	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5]C[5,6a]2H)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,5|C<3>}	H(C[5]C[5,6a]2H)	H(C[5]C[5,6a]2H)	109.0539	0.057	12	109.0539	0.003	12	108.9285	3.172	121	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])2(H)2	H(C[5]C[5,6a]2H)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[6a,6a]C[5,6a])2(H)2{6|C<3>}	H(C[5]C[5,6a]2H)	H(C[5]C[5,6a]2H)	107.6640	0.000	1	107.6640	0.000	1	108.9285	3.172	121	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]O)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.0470	0.000	1	109.0470	0.000	1	108.8440	3.206	215	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]2)(C[5]C[5]2)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]2)(C[5]C[5]2)(H)2{1|Fe<10>,1|H<1>,2|C<3>,3|C<4>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.9070	0.000	1	108.9070	0.000	1	108.8440	3.206	215	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]2)(C[5]C[5]Br)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]2)(C[5]C[5]Br)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.3620	0.000	1	109.3620	0.000	1	108.8440	3.206	215	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]2)(C[5]O[5]O)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]2)(C[5]O[5]O)(H)2{1|O<2>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.2812	0.070	5	109.2812	0.005	5	108.8440	3.206	215	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.0007	0.052	4	108.9173	0.010	11	108.8440	3.206	215	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.8860	0.053	3	108.9173	0.010	11	108.8440	3.206	215	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.8540	0.000	1	108.9173	0.010	11	108.8440	3.206	215	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.9440	0.014	2	108.9173	0.010	11	108.8440	3.206	215	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.6870	0.000	1	108.9173	0.010	11	108.8440	3.206	215	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]B)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]B)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.9330	0.081	2	108.9330	0.006	2	108.8440	3.206	215	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{1|Br<1>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.8730	0.000	1	108.7029	4.805	52	108.8440	3.206	215	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.9675	0.131	2	108.7029	4.805	52	108.8440	3.206	215	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{1|C<4>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.0530	0.000	1	108.7029	4.805	52	108.8440	3.206	215	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{1|Cl<1>,1|C<4>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	118.0160	0.000	1	108.7029	4.805	52	108.8440	3.206	215	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.1240	0.000	1	108.7029	4.805	52	108.8440	3.206	215	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.3485	2.117	34	108.7029	4.805	52	108.8440	3.206	215	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.0130	0.000	1	108.7029	4.805	52	108.8440	3.206	215	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.6751	0.926	7	108.7029	4.805	52	108.8440	3.206	215	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.9910	0.197	4	108.7029	4.805	52	108.8440	3.206	215	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.0170	0.000	2	107.4788	25.372	9	108.8440	3.206	215	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H)2{1|Cr<9>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	94.0520	0.000	1	107.4788	25.372	9	108.8440	3.206	215	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.9580	0.000	1	107.4788	25.372	9	108.8440	3.206	215	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H)2{1|H<1>,1|O<1>,2|C<3>,2|N<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.0860	0.000	1	107.4788	25.372	9	108.8440	3.206	215	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H)2{1|Ru<6>,1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.3160	0.013	2	107.4788	25.372	9	108.8440	3.206	215	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H)2{1|Ru<9>,1|H<1>,1|P<4>,2|C<3>,2|C<4>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.2735	0.053	2	107.4788	25.372	9	108.8440	3.206	215	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.1431	0.061	10	109.1594	0.010	27	108.8440	3.206	215	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2{1|C<4>,1|P<3>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.1890	0.000	1	109.1594	0.010	27	108.8440	3.206	215	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2{1|C<6>,1|H<1>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.1150	0.000	1	109.1594	0.010	27	108.8440	3.206	215	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.0990	0.007	2	109.1594	0.010	27	108.8440	3.206	215	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2{1|H<1>,1|P<3>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.0675	0.159	2	109.1594	0.010	27	108.8440	3.206	215	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2{1|H<1>,1|P<4>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.1740	0.064	3	109.1594	0.010	27	108.8440	3.206	215	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2{1|H<1>,1|S<2>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.1400	0.000	1	109.1594	0.010	27	108.8440	3.206	215	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.1728	0.061	6	109.1594	0.010	27	108.8440	3.206	215	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.5380	0.000	1	109.1594	0.010	27	108.8440	3.206	215	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H)2{1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.9060	0.000	1	109.1092	0.587	23	108.8440	3.206	215	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H)2{1|H<1>,1|P<4>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.0614	0.781	21	109.1092	0.587	23	108.8440	3.206	215	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.3160	0.000	1	109.1092	0.587	23	108.8440	3.206	215	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	106.7110	0.000	1	104.3560	11.092	2	108.8440	3.206	215	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	102.0010	0.000	1	104.3560	11.092	2	108.8440	3.206	215	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)2{1|C<4>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.9480	0.000	1	109.0678	0.011	12	108.8440	3.206	215	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)2{1|H<1>,1|P<4>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.1087	0.127	6	109.0678	0.011	12	108.8440	3.206	215	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.0233	0.079	3	109.0678	0.011	12	108.8440	3.206	215	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)2{1|P<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.0720	0.000	2	109.0678	0.011	12	108.8440	3.206	215	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(H)2{1|H<1>,1|P<4>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.0990	0.000	1	108.6720	0.365	2	108.8440	3.206	215	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.2450	0.000	1	108.6720	0.365	2	108.8440	3.206	215	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P[5])(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P[5])(H)2{1|C<4>,1|P<3>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	107.3260	0.000	1	107.3260	0.000	1	108.8440	3.206	215	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Ru)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Ru)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.9260	0.112	5	108.9260	0.013	5	108.8440	3.206	215	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(H)2{1|H<1>,1|P<4>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.2260	0.085	5	109.2310	0.006	6	108.8440	3.206	215	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.2560	0.000	1	109.2310	0.006	6	108.8440	3.206	215	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.0873	0.119	3	109.0602	0.032	10	108.8440	3.206	215	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)2{1|H<1>,1|P<3>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.1650	0.000	1	109.0602	0.032	10	108.8440	3.206	215	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)2{1|H<1>,1|P<4>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.1170	0.000	1	109.0602	0.032	10	108.8440	3.206	215	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)2{1|H<1>,5|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.3440	0.000	1	109.0602	0.032	10	108.8440	3.206	215	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)2{2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.9285	0.173	4	109.0602	0.032	10	108.8440	3.206	215	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)2{1|B<4>,1|H<1>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.2400	0.000	1	109.2400	0.000	1	108.8440	3.206	215	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	110.9018	4.276	5	108.8808	3.829	38	108.8440	3.206	215	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.0280	0.000	1	108.8808	3.829	38	108.8440	3.206	215	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)2{1|Cl<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.3370	1.812	2	108.8808	3.829	38	108.8440	3.206	215	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.0940	0.000	1	108.8808	3.829	38	108.8440	3.206	215	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.3055	1.640	11	108.8808	3.829	38	108.8440	3.206	215	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.7113	0.878	18	108.8808	3.829	38	108.8440	3.206	215	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.9200	0.000	1	108.9200	0.000	1	108.8440	3.206	215	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.1180	0.000	1	109.1795	0.008	2	108.8440	3.206	215	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(H)2{1|O<2>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.2410	0.000	1	109.1795	0.008	2	108.8440	3.206	215	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	110.4400	0.000	1	110.4400	0.000	1	108.8440	3.206	215	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]2)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]2)(H)2{1|Fe<10>,1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.8690	0.000	1	108.8690	0.000	1	108.8440	3.206	215	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(H)2{1|N<3>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.0030	0.000	1	109.0030	0.000	1	108.8440	3.206	215	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:N[5,5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(H)2	H(C[5]C[5,6a]N[5,5]H)	H(C[5]C[5,6a]N[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,4|C<3>}	H(C[5]C[5,6a]N[5,5]H)	H(C[5]C[5,6a]N[5,5]H)	109.2290	0.000	1	109.3077	0.005	3	109.3077	0.005	3	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:N[5,5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(H)2	H(C[5]C[5,6a]N[5,5]H)	H(C[5]C[5,6a]N[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(H)2{1|H<1>,1|N<3>,4|C<3>}	H(C[5]C[5,6a]N[5,5]H)	H(C[5]C[5,6a]N[5,5]H)	109.3470	0.013	2	109.3077	0.005	3	109.3077	0.005	3	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:N[5,5a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]N[5a])(H)2	H(C[5]C[5,6a]N[5,5a]H)	H(C[5]C[5,6a]N[5,5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]N[5a])(H)2{1|H<1>,1|N<2>,3|C<3>}	H(C[5]C[5,6a]N[5,5a]H)	H(C[5]C[5,6a]N[5,5a]H)	109.5130	0.082	4	109.5130	0.007	4	109.5130	0.007	4	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:N[5,6]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(H)2	H(C[5]C[5,6a]N[5,6]H)	H(C[5]C[5,6a]N[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(H)2{1|C<3>,1|N<3>,2|O<1>,3|C<4>}	H(C[5]C[5,6a]N[5,6]H)	H(C[5]C[5,6a]N[5,6]H)	109.3660	0.000	1	109.8387	0.168	3	109.8387	0.168	3	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:N[5,6]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(H)2	H(C[5]C[5,6a]N[5,6]H)	H(C[5]C[5,6a]N[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]N[5,6]H)	H(C[5]C[5,6a]N[5,6]H)	110.0750	0.000	2	109.8387	0.168	3	109.8387	0.168	3	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:N[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]B[5,6a]2)(H)2	H(C[5]C[5,6a]N[5,6a]H)	H(C[5]C[5,6a]N[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]B[5,6a]2)(H)2{1|H<1>,2|N<3>,3|C<3>}	H(C[5]C[5,6a]N[5,6a]H)	H(C[5]C[5,6a]N[5,6a]H)	108.8670	0.018	2	108.8670	0.000	2	109.1139	0.033	7	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:N[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(H)2	H(C[5]C[5,6a]N[5,6a]H)	H(C[5]C[5,6a]N[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,1|N<2>,1|O<1>,3|C<3>}	H(C[5]C[5,6a]N[5,6a]H)	H(C[5]C[5,6a]N[5,6a]H)	109.2590	0.061	2	109.2126	0.007	5	109.1139	0.033	7	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:N[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(H)2	H(C[5]C[5,6a]N[5,6a]H)	H(C[5]C[5,6a]N[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,1|N<2>,1|O<1>,3|C<3>}	H(C[5]C[5,6a]N[5,6a]H)	H(C[5]C[5,6a]N[5,6a]H)	109.1817	0.089	3	109.2126	0.007	5	109.1139	0.033	7	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,5,6a]C[6a])(N[5]C[5,5]C)(H)2	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,5,6a]C[6a])(N[5]C[5,5]C)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	109.2355	0.046	2	109.2355	0.002	2	109.2722	1.283	158	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6,6a]C[5,6a])(N[5]C[5]S)(H)2	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6,6a]C[5,6a])(N[5]C[5]S)(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	109.3260	0.018	2	109.3260	0.000	2	109.2722	1.283	158	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]2)(N[5]C[5]H)(H)2	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]2)(N[5]C[5]H)(H)2{1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	109.3870	0.000	1	109.3870	0.000	1	109.2722	1.283	158	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]2)(N[5]C[5]S)(H)2	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]2)(N[5]C[5]S)(H)2{2|H<1>,3|C<3>}	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	109.3460	0.070	3	109.3460	0.005	3	109.2722	1.283	158	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	107.8950	0.000	1	109.2103	3.738	37	109.2722	1.283	158	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	109.2395	0.057	2	109.2103	3.738	37	109.2722	1.283	158	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2{1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	109.3802	2.441	23	109.2103	3.738	37	109.2722	1.283	158	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	109.1830	0.000	1	109.2103	3.738	37	109.2722	1.283	158	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2{2|C<3>,3|H<1>}	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	108.9479	0.219	10	109.2103	3.738	37	109.2722	1.283	158	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(H)2	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	109.2210	0.023	2	109.2537	0.003	3	109.2722	1.283	158	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(H)2	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	109.3190	0.000	1	109.2537	0.003	3	109.2722	1.283	158	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(H)2	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(H)2{1|H<1>,1|N<2>,2|C<3>}	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	109.2680	0.000	1	109.2425	0.005	4	109.2722	1.283	158	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(H)2	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	109.2330	0.000	1	109.2425	0.005	4	109.2722	1.283	158	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(H)2	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(H)2{1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	109.3210	0.000	1	109.2425	0.005	4	109.2722	1.283	158	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(H)2	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(H)2{1|O<1>,3|C<3>}	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	109.1480	0.000	1	109.2425	0.005	4	109.2722	1.283	158	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(H)2	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(H)2{1|H<1>,1|N<2>,2|C<3>}	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	109.2120	0.000	1	109.2120	0.000	1	109.2722	1.283	158	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Pd)(H)2	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Pd)(H)2{1|H<1>,1|N<2>,2|C<3>}	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	109.0020	0.000	1	109.0020	0.000	1	109.2722	1.283	158	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2{1|C<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	109.4260	0.000	1	109.2689	0.411	41	109.2722	1.283	158	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	109.2610	0.000	1	109.2689	0.411	41	109.2722	1.283	158	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	109.2601	1.335	10	109.2689	0.411	41	109.2722	1.283	158	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2{1|Cl<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	109.4110	0.000	1	109.2689	0.411	41	109.2722	1.283	158	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2{1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	109.3290	0.000	1	109.2689	0.411	41	109.2722	1.283	158	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2{1|Si<4>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	109.2160	0.041	2	109.2689	0.411	41	109.2722	1.283	158	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2{1|Si<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	109.0970	0.167	4	109.2689	0.411	41	109.2722	1.283	158	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2{2|C<3>,3|H<1>}	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	109.2884	0.085	19	109.2689	0.411	41	109.2722	1.283	158	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2{2|H<1>,3|C<3>}	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	109.3490	0.113	2	109.2689	0.411	41	109.2722	1.283	158	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5a]C[5])(H)2	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5a]C[5])(H)2{1|H<1>,2|N<2>,3|C<3>}	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	109.2430	0.000	1	109.2430	0.000	1	109.2722	1.283	158	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2{1|C<2>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	109.4770	0.000	1	109.4075	1.103	44	109.2722	1.283	158	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2{1|H<1>,1|N<3>,4|C<3>}	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	109.1519	0.053	9	109.4075	1.103	44	109.2722	1.283	158	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2{1|H<1>,1|O<1>,4|C<3>}	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	109.1950	0.056	26	109.4075	1.103	44	109.2722	1.283	158	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2{1|H<1>,2|N<2>,3|C<3>}	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	109.1430	0.000	1	109.4075	1.103	44	109.2722	1.283	158	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2{1|N<2>,1|O<1>,4|C<3>}	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	109.1890	0.000	1	109.4075	1.103	44	109.2722	1.283	158	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2{1|N<3>,1|O<1>,4|C<3>}	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	114.1295	0.664	2	109.4075	1.103	44	109.2722	1.283	158	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2{2|H<1>,5|C<3>}	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	109.0235	0.023	2	109.4075	1.103	44	109.2722	1.283	158	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2{3|H<1>,4|C<3>}	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	109.1895	0.040	2	109.4075	1.103	44	109.2722	1.283	158	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]P[5])(H)2	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]P[5])(H)2{1|C<2>,1|H<1>,4|C<3>}	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	108.7690	0.000	1	108.7924	0.008	5	109.2722	1.283	158	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]P[5])(H)2	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]P[5])(H)2{1|Cl<1>,1|H<1>,4|C<3>}	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	108.9310	0.000	1	108.7924	0.008	5	109.2722	1.283	158	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]P[5])(H)2	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]P[5])(H)2{1|H<1>,1|O<2>,4|C<3>}	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	108.8320	0.000	1	108.7924	0.008	5	109.2722	1.283	158	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]P[5])(H)2	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]P[5])(H)2{1|H<1>,5|C<3>}	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	108.7130	0.000	1	108.7924	0.008	5	109.2722	1.283	158	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]P[5])(H)2	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]P[5])(H)2{2|Pd<3>,1|H<1>,4|C<3>}	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	108.7170	0.000	1	108.7924	0.008	5	109.2722	1.283	158	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]P[5]C)(H)2	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]P[5]C)(H)2{1|H<1>,4|C<3>}	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	108.4590	0.000	1	108.4590	0.000	1	109.2722	1.283	158	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C)(H)2	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C)(H)2{1|C<3>,1|N<2>,2|H<1>}	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	109.1827	0.014	4	109.2052	0.003	6	109.2722	1.283	158	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C)(H)2	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C)(H)2{1|O<1>,2|C<3>}	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	109.2500	0.088	2	109.2052	0.003	6	109.2722	1.283	158	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[6a]C[5])(H)2	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[6a]C[5])(H)2{1|N<2>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	109.2210	0.020	2	109.2210	0.000	2	109.2722	1.283	158	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]H)(H)2	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]H)(H)2{1|O<1>,3|C<3>}	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	109.3598	0.059	4	109.3598	0.004	4	109.2722	1.283	158	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:P[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C[6a])(H)2	H(C[5]C[5,6a]P[5]H)	H(C[5]C[5,6a]P[5]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C[6a])(H)2{1|H<1>,5|C<3>}	H(C[5]C[5,6a]P[5]H)	H(C[5]C[5,6a]P[5]H)	108.4910	0.080	4	108.4910	0.006	4	108.4910	0.006	4	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:S[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5]C)(H)2	H(C[5]C[5,6a]S[5]H)	H(C[5]C[5,6a]S[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5]C)(H)2{1|S<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]S[5]H)	H(C[5]C[5,6a]S[5]H)	108.6110	0.000	1	108.7207	0.012	3	108.5980	0.068	4	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:S[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5]C)(H)2	H(C[5]C[5,6a]S[5]H)	H(C[5]C[5,6a]S[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5]C)(H)2{2|C<3>,3|H<1>}	H(C[5]C[5,6a]S[5]H)	H(C[5]C[5,6a]S[5]H)	108.7755	0.081	2	108.7207	0.012	3	108.5980	0.068	4	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:S[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5]O)(H)2	H(C[5]C[5,6a]S[5]H)	H(C[5]C[5,6a]S[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]S[5]H)	H(C[5]C[5,6a]S[5]H)	108.2300	0.000	1	108.2300	0.000	1	108.5980	0.068	4	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5,6a]-3:Se[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(Se[5]C[5]C)(H)2	H(C[5]C[5,6a]Se[5]H)	H(C[5]C[5,6a]Se[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(Se[5]C[5]C)(H)2{2|C<3>,3|H<1>}	H(C[5]C[5,6a]Se[5]H)	H(C[5]C[5,6a]Se[5]H)	108.7720	0.067	4	108.7720	0.004	4	108.7720	0.004	4	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3,5]O)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5]O)(C[5]C[5]C)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9720	0.000	1	108.9720	0.000	1	108.6957	2.045	100	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C[5a])(C[5]C[5,5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[5a])(C[5]C[5,5]O)(H)2{1|N<2>,1|N<3>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7820	0.000	1	108.7820	0.000	1	108.6957	2.045	100	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(H)2{1|O<2>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6665	0.080	2	108.6665	0.006	2	108.6957	2.045	100	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]O)(C[5]N[5,5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]O)(C[5]N[5,5]O)(H)2{1|O<2>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9000	0.000	1	108.9000	0.000	1	108.6957	2.045	100	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5a]C[5])(C[5]C[5,5a]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5a]C[5])(C[5]C[5,5a]O)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1060	0.270	2	108.9103	0.079	4	108.6957	2.045	100	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5a]C[5])(C[5]C[5,5a]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5a]C[5])(C[5]C[5,5a]O)(H)2{1|C<3>,1|C<4>,2|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7145	0.108	2	108.9103	0.079	4	108.6957	2.045	100	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5a]O)(C[5]N[5,5a]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5a]O)(C[5]N[5,5a]O)(H)2{2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7470	0.000	1	108.7470	0.000	1	108.6957	2.045	100	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]C[6a])2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[6a])2(H)2{2|C<4>,4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9500	0.000	1	108.9500	0.000	1	108.6957	2.045	100	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]O)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]O)(C[5]C[5]C)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8050	0.000	1	108.8050	0.000	1	108.6957	2.045	100	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(H)2{2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	111.6870	0.000	1	111.6870	0.000	1	108.6957	2.045	100	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]O)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]O)2(H)2{2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7600	0.000	1	108.7600	0.000	1	108.6957	2.045	100	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]2)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9560	0.000	1	108.9560	0.000	1	108.6957	2.045	100	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]B)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]B)(C[5]C[5]C)(H)2{2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4590	0.000	1	108.4590	0.000	1	108.6957	2.045	100	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9563	0.144	3	108.2422	1.726	9	108.6957	2.045	100	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0150	0.000	1	108.2422	1.726	9	108.6957	2.045	100	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	105.0910	0.000	1	108.2422	1.726	9	108.6957	2.045	100	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.1830	0.000	1	108.2422	1.726	9	108.6957	2.045	100	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)2{2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6740	0.113	3	108.2422	1.726	9	108.6957	2.045	100	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]C)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.5650	0.000	1	109.0200	2.605	6	108.6957	2.045	100	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]C)(C[5]C[5]O)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7240	0.297	2	109.0200	2.605	6	108.6957	2.045	100	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]C)(C[5]C[5]O)(H)2{1|Si<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	106.5790	0.000	1	109.0200	2.605	6	108.6957	2.045	100	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]C)(C[5]C[5]O)(H)2{2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	110.2640	1.847	2	109.0200	2.605	6	108.6957	2.045	100	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]C)(C[5]N[5]O)(H)2{1|C<3>,1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0040	0.000	1	108.9726	0.006	12	108.6957	2.045	100	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]C)(C[5]N[5]O)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9395	0.145	2	108.9726	0.006	12	108.6957	2.045	100	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]C)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0535	0.015	2	108.9726	0.006	12	108.6957	2.045	100	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]C)(C[5]N[5]O)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9296	0.058	5	108.9726	0.006	12	108.6957	2.045	100	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]C)(C[5]N[5]O)(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0220	0.000	1	108.9726	0.006	12	108.6957	2.045	100	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]C)(C[5]N[5]O)(H)2{2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0110	0.000	1	108.9726	0.006	12	108.6957	2.045	100	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]C)(C[5]O[5]O)(H)2{1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2490	0.000	1	109.0303	0.064	3	108.6957	2.045	100	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]C)(C[5]O[5]O)(H)2{1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0890	0.000	1	109.0303	0.064	3	108.6957	2.045	100	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]C)(C[5]O[5]O)(H)2{2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7530	0.000	1	109.0303	0.064	3	108.6957	2.045	100	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]C)2(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8297	0.102	3	108.8855	0.019	4	108.6957	2.045	100	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]C)2(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0530	0.000	1	108.8855	0.019	4	108.6957	2.045	100	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]Fe)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]Fe)(C[5]C[5]H)(H)2{1|H<1>,1|P<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	106.9070	2.516	2	106.9070	6.330	2	108.6957	2.045	100	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]H)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]H)(C[5]C[5]O)(H)2{3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	114.7530	0.000	1	114.7530	0.000	1	108.6957	2.045	100	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]H)(C[5]N[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H)2{1|Ir<5>,1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5590	0.000	1	108.5590	0.000	1	108.6957	2.045	100	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]H)(C[5]N[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]H)(C[5]N[5]H)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.2370	0.000	1	108.2370	0.000	1	108.6957	2.045	100	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]H)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]H)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	103.8900	0.000	1	104.5290	19.829	3	108.6957	2.045	100	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]H)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]H)(C[5]N[5]O)(H)2{1|H<1>,1|N<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2670	0.000	1	104.5290	19.829	3	108.6957	2.045	100	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]H)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]H)(C[5]N[5]O)(H)2{2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	100.4300	0.000	1	104.5290	19.829	3	108.6957	2.045	100	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]H)(C[5]O[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]H)(C[5]O[5]H)(H)2{1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0490	0.000	1	109.5305	0.464	2	108.6957	2.045	100	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]H)(C[5]O[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]H)(C[5]O[5]H)(H)2{2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	110.0120	0.000	1	109.5305	0.464	2	108.6957	2.045	100	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]H)(C[5]S[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]H)(C[5]S[5]C)(H)2{1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6900	0.000	1	108.6900	0.000	1	108.6957	2.045	100	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]H)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]H)2(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8515	0.182	4	108.8515	0.033	4	108.6957	2.045	100	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]N)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N)(C[5]N[5]O)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0680	0.000	1	109.0680	0.000	1	108.6957	2.045	100	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]N[5])(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5])(C[5]C[5]C)(H)2{1|O<1>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0140	0.000	1	109.0140	0.000	1	108.6957	2.045	100	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]O)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]O)(C[5]N[5]O)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9590	0.000	1	108.9590	0.000	1	108.6957	2.045	100	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]O)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]O)2(H)2{1|Ru<4>,1|Ru<6>,1|P<5>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7140	0.000	1	108.7663	0.065	6	108.6957	2.045	100	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]O)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]O)2(H)2{1|Ru<5>,1|Ru<6>,1|P<5>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6870	0.000	1	108.7663	0.065	6	108.6957	2.045	100	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]O)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]O)2(H)2{1|Ru<7>,2|P<5>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7860	0.000	1	108.7663	0.065	6	108.6957	2.045	100	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]O)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]O)2(H)2{2|P<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8037	0.395	3	108.7663	0.065	6	108.6957	2.045	100	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5a]S[5])(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]S[5])(C[5]C[5]H)(H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4920	0.000	1	108.4920	0.000	1	108.6957	2.045	100	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6]S[5])(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6]S[5])(C[5]C[5]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1470	0.000	1	109.1470	0.000	1	108.6957	2.045	100	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0790	0.000	1	108.9307	0.017	3	108.6957	2.045	100	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)2{1|C<4>,1|N<3>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8290	0.000	1	108.9307	0.017	3	108.6957	2.045	100	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8840	0.000	1	108.9307	0.017	3	108.6957	2.045	100	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5])2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5])2(H)2{1|H<1>,5|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6722	0.193	9	108.4036	1.120	14	108.6957	2.045	100	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5])2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5])2(H)2{2|H<1>,4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.5500	2.352	3	108.4036	1.120	14	108.6957	2.045	100	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5])2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5])2(H)2{6|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4750	0.590	2	108.4036	1.120	14	108.6957	2.045	100	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(H)2{3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1910	0.063	4	109.1910	0.004	4	108.6957	2.045	100	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5])(C[5]O[5]O)(H)2{2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9220	0.000	1	108.9220	0.000	1	108.6957	2.045	100	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]C)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5]C)2(H)2{1|B<4>,1|W<6>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.2820	0.000	1	108.2820	0.000	1	108.6957	2.045	100	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]N)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5]N)2(H)2{2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1780	0.000	1	109.1780	0.000	1	108.6957	2.045	100	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3x5,6]O)(N[5]C[5,5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[3x5,6]O)(N[5]C[5,5]S)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	114.4470	0.000	1	114.4470	0.000	1	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3x5]C)(N[5]C[5,5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[3x5]C)(N[5]C[5,5]S)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7920	0.079	2	108.7920	0.006	2	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6,6]O)(N[5]C[5,6]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5,6,6]O)(N[5]C[5,6]S)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	111.1720	0.000	1	111.1720	0.000	1	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C)(N[5]C[5,5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]C)(N[5]C[5,5]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	110.8780	0.000	1	112.2815	3.940	2	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C)(N[5]C[5,5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]C)(N[5]C[5,5]S)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	113.6850	0.000	1	112.2815	3.940	2	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]C)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1010	0.000	1	109.1010	0.000	1	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]C)(N[5]C[5,6]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]C)(N[5]C[5,6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8250	0.000	1	108.8250	0.000	1	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]C)(N[5]C[5,6]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]C)(N[5]C[5,6]S)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8540	0.000	1	109.9130	2.243	2	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]C)(N[5]C[5,6]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]C)(N[5]C[5,6]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	110.9720	0.000	1	109.9130	2.243	2	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]C)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]C)(N[5]C[5]C)(H)2{1|C<4>,1|O<1>,1|O<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1100	0.000	1	109.1100	0.000	1	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]C)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]C)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2220	0.098	2	109.0822	0.027	5	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]C)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]C)(N[5]C[5]S)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9890	0.128	3	109.0822	0.027	5	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]H)(N[5]C[5,6]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]H)(N[5]C[5,6]S)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2810	0.085	2	109.2810	0.007	2	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]O)(N[5]C[5,6]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]O)(N[5]C[5,6]C)(H)2{2|N<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.6970	0.000	1	108.6970	0.000	1	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(H)2{2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9500	0.000	1	108.9500	0.000	1	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]S)(H)2{2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1870	0.000	1	109.1870	0.000	1	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]2)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]2)(N[5]C[5]S)(H)2{2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1390	0.000	1	109.1615	0.001	2	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]2)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]2)(N[5]C[5]S)(H)2{3|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1840	0.000	1	109.1615	0.001	2	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]Br)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]Br)(N[5]C[5]S)(H)2{1|C<3>,1|H<1>,1|I<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.3230	0.000	1	109.3230	0.000	1	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]C)(N[5]C[5]C)(H)2{1|C<3>,1|H<1>,1|O<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	105.5230	0.000	1	108.8084	0.989	13	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]C)(N[5]C[5]C)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0830	0.000	1	108.8084	0.989	13	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]C)(N[5]C[5]C)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0458	0.198	5	108.8084	0.989	13	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]C)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1093	0.024	3	108.8084	0.989	13	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]C)(N[5]C[5]C)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1040	0.000	1	108.8084	0.989	13	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]C)(N[5]C[5]C)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1210	0.031	2	108.8084	0.989	13	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]C)(N[5]C[5]H)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1350	0.000	1	109.1350	0.000	1	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<2>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9997	0.183	3	109.0615	5.527	80	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.0280	0.000	1	109.0615	5.527	80	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	103.0363	10.348	3	109.0615	5.527	80	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2580	0.087	4	109.0615	5.527	80	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.3181	0.400	9	109.0615	5.527	80	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0546	0.069	10	109.0615	5.527	80	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1215	0.127	2	109.0615	5.527	80	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	105.3300	0.000	1	109.0615	5.527	80	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2403	0.044	3	109.0615	5.527	80	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.7334	1.981	17	109.0615	5.527	80	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1430	0.000	1	109.0615	5.527	80	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|O<1>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2240	0.000	1	109.0615	5.527	80	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|O<2>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1110	0.000	1	109.0615	5.527	80	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9652	0.076	5	109.0615	5.527	80	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.5146	1.176	17	109.0615	5.527	80	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2650	0.037	2	109.0615	5.527	80	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C[6])(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]C[6])(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0860	0.000	1	109.0860	0.000	1	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]H)(N[5]C[5]2)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]H)(N[5]C[5]2)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.3100	0.000	1	109.3100	0.000	1	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]H)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]H)(N[5]C[5]C)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2510	0.071	2	107.4993	24.207	17	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]H)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]H)(N[5]C[5]C)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1735	0.087	4	107.4993	24.207	17	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]H)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]H)(N[5]C[5]C)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2175	0.011	2	107.4993	24.207	17	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]H)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]H)(N[5]C[5]C)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.4150	0.000	1	107.4993	24.207	17	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]H)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]H)(N[5]C[5]C)(H)2{1|N<3>,1|O<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0900	0.000	1	107.4993	24.207	17	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]H)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]H)(N[5]C[5]C)(H)2{3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2650	0.047	4	107.4993	24.207	17	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]H)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]H)(N[5]C[5]C)(H)2{4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	99.4304	8.661	3	107.4993	24.207	17	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]H)(N[5]C[5]N)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]H)(N[5]C[5]N)(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.5170	0.000	1	109.5170	0.000	1	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]H)(N[5]C[5]P)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]H)(N[5]C[5]P)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0760	0.000	1	109.0760	0.000	1	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]H)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]H)(N[5]C[5]S)(H)2{1|C<2>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1660	0.000	1	107.9168	9.870	11	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]H)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]H)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.4340	0.000	1	107.9168	9.870	11	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]H)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]H)(N[5]C[5]S)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9110	0.766	3	107.9168	9.870	11	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]H)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]H)(N[5]C[5]S)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1480	0.000	1	107.9168	9.870	11	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]H)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]H)(N[5]C[5]S)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	104.6438	5.148	3	107.9168	9.870	11	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]H)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]H)(N[5]C[5]S)(H)2{3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.3365	0.032	2	107.9168	9.870	11	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]N)(N[5]P[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]N)(N[5]P[5]C)(H)2{1|P<4>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	105.4280	0.000	1	105.4280	0.000	1	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]O)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]O)(N[5]C[5]C)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8817	0.060	7	108.8817	0.004	7	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]O)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]O)(N[5]C[5]H)(H)2{1|O<1>,2|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1137	0.065	3	109.1137	0.004	3	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]S)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]S)(N[5]C[5]S)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1925	0.053	2	109.1925	0.003	2	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5])(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5])(N[5]C[5]S)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2240	0.000	1	109.2240	0.000	1	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5])(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]N[5])(N[5]C[5]S)(H)2{1|C<4>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.5065	0.059	2	109.5065	0.003	2	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6a]C)(N[5]C[5,6a]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6a]C)(N[5]C[5,6a]C)(H)2{2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	111.4230	0.000	1	111.4230	0.000	1	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6a]C)(N[5]C[5,6a]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6a]C)(N[5]C[5,6a]S)(H)2{1|C<3>,1|N<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2420	0.000	1	109.2420	0.000	1	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]C)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]C)(N[5]C[5]H)(H)2{1|Mn<6>,1|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1660	0.000	1	109.1660	0.000	1	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)2{1|C<4>,1|S<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9030	0.000	1	108.9030	0.000	1	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]N)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]N)(N[5]C[5]H)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2680	0.000	1	109.2680	0.000	1	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]2)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]O)(N[5]C[5]2)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1940	0.074	2	109.1940	0.005	2	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0500	0.000	1	109.0324	1.412	52	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2{1|H<1>,1|N<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	107.9910	2.150	7	109.0324	1.412	52	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2{1|H<1>,1|N<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.3855	0.615	21	109.0324	1.412	52	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1541	0.038	8	109.0324	1.412	52	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2{1|H<1>,1|S<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	104.0780	0.000	1	109.0324	1.412	52	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2{1|N<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.3480	0.000	1	109.0324	1.412	52	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2{1|Pt<4>,1|N<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.3000	0.000	1	109.0324	1.412	52	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2{1|Re<6>,1|N<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1890	0.000	1	109.0324	1.412	52	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2{1|S<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	110.1260	0.000	1	109.0324	1.412	52	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2{1|Zn<4>,1|N<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2328	0.055	10	109.0324	1.412	52	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]O)(N[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|O<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7720	0.000	1	108.6680	2.175	9	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]O)(N[5]C[5]H)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1650	0.000	1	108.6680	2.175	9	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]O)(N[5]C[5]H)(H)2{1|C<4>,1|S<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2670	0.025	2	108.6680	2.175	9	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]O)(N[5]C[5]H)(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	107.6797	2.527	3	108.6680	2.175	9	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]O)(N[5]C[5]H)(H)2{1|H<1>,1|S<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.4000	0.000	1	108.6680	2.175	9	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]O)(N[5]C[5]H)(H)2{1|N<3>,1|S<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1020	0.000	1	108.6680	2.175	9	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]N)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]O)(N[5]C[5]N)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2210	0.000	1	109.9506	1.827	21	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]N)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]O)(N[5]C[5]N)(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	110.0099	1.410	19	109.9506	1.827	21	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]N)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]O)(N[5]C[5]N)(H)2{1|O<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.5530	0.000	1	109.9506	1.827	21	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5]O)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]O)(N[5]C[5]O)(H)2{3|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.4200	0.000	1	109.4200	0.000	1	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]C)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]C)(N[5]C[5]C)(H)2{1|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.4260	0.000	1	109.3675	0.005	11	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]C)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]C)(N[5]C[5]C)(H)2{1|N<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2635	0.103	2	109.3675	0.005	11	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]C)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]C)(N[5]C[5]C)(H)2{1|O<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.3863	0.035	8	109.3675	0.005	11	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]C)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]C)(N[5]C[5]H)(H)2{1|N<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.4210	0.000	1	109.4000	0.001	2	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]C)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]C)(N[5]C[5]H)(H)2{1|O<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.3790	0.000	1	109.4000	0.001	2	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]H)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]H)(N[5]C[5]C)(H)2{1|O<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2710	0.000	2	109.2710	0.000	2	109.0318	4.515	271	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:O[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]H)(O[5]B[5]C)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]H)(O[5]B[5]C)(H)2{3|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.0930	0.000	1	109.0930	0.000	1	109.0930	0.000	1	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:S[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6]O)(S[5]C[5,6]O)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5,6]O)(S[5]C[5,6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.6010	0.000	2	108.5620	0.005	3	108.5292	0.005	5	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:S[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6]O)(S[5]C[5,6]O)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5,6]O)(S[5]C[5,6]O)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.4840	0.000	1	108.5620	0.005	3	108.5292	0.005	5	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:S[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]O)(S[5]C[5]O)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]O)(S[5]C[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.4400	0.000	1	108.4800	0.003	2	108.5292	0.005	5	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	C[5]-3:S[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]O)(S[5]C[5]O)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]O)(S[5]C[5]O)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.5200	0.000	1	108.4800	0.003	2	108.5292	0.005	5	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[3,5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[3,5]C[3,5]C[3])(N[5]C[6a]C[5])(H)2	H(C[5]N[3,5]N[5]H)	H(C[5]N[3,5]N[5]H)	C[5](N[3,5]C[3,5]C[3])(N[5]C[6a]C[5])(H)2{3|H<1>,4|C<3>}	H(C[5]N[3,5]N[5]H)	H(C[5]N[3,5]N[5]H)	108.5935	0.018	2	108.5935	0.000	2	108.5935	0.000	2	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5,5]-3:C[5,6]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,6a]Si[5,5])(C[5,6]N[5,6]C[6])(H)2	H(C[5]C[5,6]N[5,5]H)	H(C[5]C[5,6]N[5,5]H)	C[5](N[5,5]C[5,6a]Si[5,5])(C[5,6]N[5,6]C[6])(H)2{1|Br<1>,1|H<1>,1|S<2>,5|C<3>}	H(C[5]C[5,6]N[5,5]H)	H(C[5]C[5,6]N[5,5]H)	108.4580	0.000	1	108.4891	0.004	7	108.4891	0.004	7	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5,5]-3:C[5,6]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,6a]Si[5,5])(C[5,6]N[5,6]C[6])(H)2	H(C[5]C[5,6]N[5,5]H)	H(C[5]C[5,6]N[5,5]H)	C[5](N[5,5]C[5,6a]Si[5,5])(C[5,6]N[5,6]C[6])(H)2{1|C<4>,1|H<1>,1|O<2>,1|S<2>,4|C<3>}	H(C[5]C[5,6]N[5,5]H)	H(C[5]C[5,6]N[5,5]H)	108.5330	0.000	1	108.4891	0.004	7	108.4891	0.004	7	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5,5]-3:C[5,6]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,6a]Si[5,5])(C[5,6]N[5,6]C[6])(H)2	H(C[5]C[5,6]N[5,5]H)	H(C[5]C[5,6]N[5,5]H)	C[5](N[5,5]C[5,6a]Si[5,5])(C[5,6]N[5,6]C[6])(H)2{1|Cl<1>,1|H<1>,1|S<2>,5|C<3>}	H(C[5]C[5,6]N[5,5]H)	H(C[5]C[5,6]N[5,5]H)	108.4610	0.023	2	108.4891	0.004	7	108.4891	0.004	7	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5,5]-3:C[5,6]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,6a]Si[5,5])(C[5,6]N[5,6]C[6])(H)2	H(C[5]C[5,6]N[5,5]H)	H(C[5]C[5,6]N[5,5]H)	C[5](N[5,5]C[5,6a]Si[5,5])(C[5,6]N[5,6]C[6])(H)2{1|H<1>,1|N<2>,1|S<2>,5|C<3>}	H(C[5]C[5,6]N[5,5]H)	H(C[5]C[5,6]N[5,5]H)	108.5037	0.093	3	108.4891	0.004	7	108.4891	0.004	7	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5,5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[3x5,6]C[5])(C[5]C[5,6]C)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[3x5,6]C[5])(C[5]C[5,6]C)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.6090	0.000	1	108.6090	0.000	1	109.0034	0.083	21	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5,5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]O)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]O)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.0530	0.015	3	109.0530	0.000	3	109.0034	0.083	21	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5,5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5]H)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5]H)(H)2{1|H<1>,1|O<1>,3|C<3>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.5910	0.000	1	108.5910	0.000	1	109.0034	0.083	21	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5,5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(H)2{1|C<3>,1|H<1>,1|N<2>,2|C<4>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.0980	0.011	2	109.0980	0.000	2	109.0034	0.083	21	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5,5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]2)(C[5]C[5]H)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]H)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.7390	0.000	1	108.7390	0.000	1	109.0034	0.083	21	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5,5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]C)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]C)(H)2{1|H<1>,1|O<1>,4|C<3>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.9950	0.000	1	108.9950	0.000	1	109.0034	0.083	21	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5,5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]H)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]H)(H)2{3|C<4>,3|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.6770	0.000	1	109.6770	0.000	1	109.0034	0.083	21	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5,5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]S[5])(C[5]C[5]C)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]S[5])(C[5]C[5]C)(H)2{1|C<2>,1|C<4>,1|H<1>,2|C<3>,2|O<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.7770	0.000	1	108.7770	0.000	1	109.0034	0.083	21	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5,5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]S[5])(C[5]C[5]H)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]S[5])(C[5]C[5]H)(H)2{2|O<1>,4|C<3>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.1430	0.000	1	109.1430	0.000	1	109.0034	0.083	21	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5,5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[6a]N[5])(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[6a]N[5])(H)2{1|C<4>,5|C<3>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.1660	0.000	1	109.1660	0.000	1	109.0034	0.083	21	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5,5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]C)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]C)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.1595	0.005	2	109.1595	0.000	2	109.0034	0.083	21	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5,5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[5]C[6a]N[5])(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[6a]N[5])(H)2{1|C<4>,4|C<3>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.5970	0.000	1	109.5970	0.000	1	109.0034	0.083	21	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5,5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]P[5,5]C[5])(C[5]O[5]O)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]P[5,5]C[5])(C[5]O[5]O)(H)2{1|O<2>,1|P<3>,2|C<3>,2|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.8208	0.179	5	108.8208	0.032	5	109.0034	0.083	21	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5,5a]-3:C[5,5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5,5a]C[5a])(C[5,5]C[5,5]C[5])(H)2	H(C[5]N[5,5a]C[5,5]H)	H(C[5]N[5,5a]C[5,5]H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5,5]C[5,5]C[5])(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[5]N[5,5a]C[5,5]H)	H(C[5]N[5,5a]C[5,5]H)	109.6060	0.037	3	109.6060	0.001	3	109.6060	0.001	3	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5,5a]-3:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5]C[5,6a]N[5,5a]H)	H(C[5]C[5,6a]N[5,5a]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,5|C<3>}	H(C[5]C[5,6a]N[5,5a]H)	H(C[5]C[5,6a]N[5,5a]H)	109.3520	0.000	1	109.3520	0.000	1	109.3520	0.000	1	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5,5a]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]C)(H)2	H(C[5]N[5,5a]C[5]H)	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]C)(H)2{1|H<1>,1|O<1>,2|C<3>}	H(C[5]N[5,5a]C[5]H)	H(C[5]N[5,5a]C[5]H)	109.3640	0.000	1	109.3640	0.000	1	109.1352	0.083	6	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5,5a]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]H)(H)2	H(C[5]N[5,5a]C[5]H)	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]H)(H)2{1|H<1>,3|C<3>}	H(C[5]N[5,5a]C[5]H)	H(C[5]N[5,5a]C[5]H)	109.3340	0.000	1	109.3017	0.008	3	109.1352	0.083	6	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5,5a]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]H)(H)2	H(C[5]N[5,5a]C[5]H)	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]H)(H)2{2|C<3>,2|H<1>}	H(C[5]N[5,5a]C[5]H)	H(C[5]N[5,5a]C[5]H)	109.2855	0.118	2	109.3017	0.008	3	109.1352	0.083	6	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5,5a]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]S[5]C)(H)2	H(C[5]N[5,5a]C[5]H)	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]S[5]C)(H)2{1|N<2>,2|C<3>}	H(C[5]N[5,5a]C[5]H)	H(C[5]N[5,5a]C[5]H)	108.7710	0.031	2	108.7710	0.001	2	109.1352	0.083	6	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5,6]-3:C[5,6]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]Ga[5,5,6,6]S[6])(C[5,6]N[5,6]C[6])(H)2	H(C[5]C[5,6]N[5,6]H)	H(C[5]C[5,6]N[5,6]H)	C[5](N[5,6]Ga[5,5,6,6]S[6])(C[5,6]N[5,6]C[6])(H)2{1|H<1>,2|N<3>,2|O<1>,2|O<2>,3|C<3>}	H(C[5]C[5,6]N[5,6]H)	H(C[5]C[5,6]N[5,6]H)	108.3385	0.036	2	108.3385	0.001	2	108.3385	0.001	2	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5,6]-3:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]B[5,6,6]C[6,6a])(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5]C[5,6a]N[5,6]H)	H(C[5]C[5,6a]N[5,6]H)	C[5](N[5,6]B[5,6,6]C[6,6a])(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,1|N<3>,1|O<2>,4|C<3>}	H(C[5]C[5,6a]N[5,6]H)	H(C[5]C[5,6a]N[5,6]H)	109.0570	0.000	1	109.0570	0.000	1	109.0570	0.000	1	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5,6]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]B[5,6]C[6])(C[5]O[5]O)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]B[5,6]C[6])(C[5]O[5]O)(H)2{1|O<2>,3|C<3>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.0100	0.044	2	109.0100	0.002	2	109.0486	0.124	20	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5,6]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6,6a])(C[5]C[5]H)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6,6a])(C[5]C[5]H)(H)2{1|O<2>,2|H<1>,3|C<3>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.7510	0.000	1	108.7510	0.000	1	109.0486	0.124	20	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5,6]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6,6]C)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6,6]C)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.0120	0.000	1	108.0120	0.000	1	109.0486	0.124	20	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5,6]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]H)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]H)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.0110	0.017	3	109.0110	0.000	3	109.0486	0.124	20	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5,6]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]O)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.1370	0.000	2	109.1370	0.000	2	109.0486	0.124	20	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5,6]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.9800	0.375	2	108.9800	0.140	2	109.0486	0.124	20	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5,6]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]H)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]H)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.3570	0.000	2	109.3570	0.000	2	109.0486	0.124	20	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5,6]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]O)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]O)(H)2{1|C<3>,1|O<1>,3|C<4>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.2410	0.000	1	109.2410	0.000	2	109.0486	0.124	20	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5,6]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]O)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]O)(H)2{2|C<3>,2|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.2410	0.000	1	109.2410	0.000	2	109.0486	0.124	20	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5,6]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]C)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.4180	0.000	1	108.4180	0.000	1	109.0486	0.124	20	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5,6]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]S[6])(C[5]C[5]H)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]S[6])(C[5]C[5]H)(H)2{1|H<1>,1|O<2>,2|C<3>,2|O<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.4265	0.047	2	109.4265	0.002	2	109.0486	0.124	20	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5,6]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]S[6])(C[5]N[5]O)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]S[6])(C[5]N[5]O)(H)2{1|C<3>,1|H<1>,2|O<1>,2|O<2>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.1760	0.000	1	109.1760	0.000	1	109.0486	0.124	20	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5,6]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5]O)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5]O)(H)2{1|H<1>,1|S<2>,2|C<3>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.2800	0.000	1	109.2800	0.000	1	109.0486	0.124	20	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5,6a]-3:C[5,6]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H)2	H(C[5]N[5,6a]C[5,6]H)	H(C[5]N[5,6a]C[5,6]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[5]N[5,6a]C[5,6]H)	H(C[5]N[5,6a]C[5,6]H)	109.3905	0.159	2	109.3905	0.025	2	109.3905	0.025	2	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]B[6,6]C[5])(C[5]N[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]B[6,6]C[5])(C[5]N[5]H)(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.4600	0.000	1	108.4600	0.000	1	107.9548	21.949	19	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,5]C)(C[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C)(C[5]C[5]C)(H)2{3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2540	0.000	1	109.2540	0.000	1	107.9548	21.949	19	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,5]C)(C[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C)(C[5]C[5]H)(H)2{3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2810	0.000	1	109.2810	0.000	1	107.9548	21.949	19	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]C)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0340	0.000	1	108.9828	0.018	4	107.9548	21.949	19	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]C)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1500	0.000	1	108.9828	0.018	4	107.9548	21.949	19	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]C)(H)2{1|H<1>,5|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8735	0.009	2	108.9828	0.018	4	107.9548	21.949	19	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,6]C)(C[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6]C)(C[5]C[5]H)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7500	0.000	1	108.7500	0.000	1	107.9548	21.949	19	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]Ti)(C[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]Ti)(C[5]C[5]H)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9070	0.000	1	108.9070	0.000	1	107.9548	21.949	19	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]B[5])(C[5]N[5]B)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]B[5])(C[5]N[5]B)(H)2{1|Br<1>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8150	0.000	1	108.8150	0.000	1	107.9548	21.949	19	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]B[5])(C[5]N[5]Cl)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]B[5])(C[5]N[5]Cl)(H)2{4|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1290	0.000	1	109.1290	0.000	1	107.9548	21.949	19	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]B[5])(C[5]N[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]B[5])(C[5]N[5]H)(H)2{1|Br<1>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	88.6327	0.000	1	88.6327	0.000	1	107.9548	21.949	19	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(H)2{1|C<3>,1|H<1>,1|N<2>,1|O<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1720	0.000	1	109.1720	0.000	1	107.9548	21.949	19	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(H)2{1|O<1>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8690	0.000	1	108.8690	0.000	1	107.9548	21.949	19	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]Ir)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]Ir)(H)2{2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2850	0.000	1	109.2850	0.000	1	107.9548	21.949	19	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]N)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]N)(H)2{2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.4770	0.000	1	109.4770	0.000	1	107.9548	21.949	19	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1290	0.000	1	109.1360	0.000	2	107.9548	21.949	19	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(H)2{1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1430	0.000	1	109.1360	0.000	2	107.9548	21.949	19	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]S[5])(C[5]N[5]O)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]S[5])(C[5]N[5]O)(H)2{2|C<3>,2|O<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9060	0.000	1	108.9060	0.000	1	107.9548	21.949	19	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,5,6]C)2(H)2	H(C[5]N[5]2H)	H(C[5]N[5]2H)	C[5](N[5]C[5,5,6]C)2(H)2{2|C<4>,2|H<1>}	H(C[5]N[5]2H)	H(C[5]N[5]2H)	109.3970	0.000	1	109.3970	0.000	1	110.1536	4.253	40	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,5]C[6a])(N[5]C[6a]C[5])(H)2	H(C[5]N[5]2H)	H(C[5]N[5]2H)	C[5](N[5]C[5,5]C[6a])(N[5]C[6a]C[5])(H)2{2|H<1>,6|C<3>}	H(C[5]N[5]2H)	H(C[5]N[5]2H)	109.1590	0.000	1	109.1590	0.000	1	110.1536	4.253	40	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,5]C[6a])2(H)2	H(C[5]N[5]2H)	H(C[5]N[5]2H)	C[5](N[5]C[5,5]C[6a])2(H)2{2|H<1>,2|N<3>,4|C<3>}	H(C[5]N[5]2H)	H(C[5]N[5]2H)	108.7870	0.000	1	108.7870	0.000	1	110.1536	4.253	40	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,5]N)2(H)2	H(C[5]N[5]2H)	H(C[5]N[5]2H)	C[5](N[5]C[5,5]N)2(H)2{2|H<1>,2|N<3>}	H(C[5]N[5]2H)	H(C[5]N[5]2H)	109.3273	0.177	3	110.5750	6.248	4	110.1536	4.253	40	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,5]N)2(H)2	H(C[5]N[5]2H)	H(C[5]N[5]2H)	C[5](N[5]C[5,5]N)2(H)2{2|H<1>,2|O<2>}	H(C[5]N[5]2H)	H(C[5]N[5]2H)	114.3180	0.000	1	110.5750	6.248	4	110.1536	4.253	40	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,6]C)2(H)2	H(C[5]N[5]2H)	H(C[5]N[5]2H)	C[5](N[5]C[5,6]C)2(H)2{2|C<4>,2|H<1>}	H(C[5]N[5]2H)	H(C[5]N[5]2H)	111.6422	1.997	10	111.4115	4.176	11	110.1536	4.253	40	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,6]C)2(H)2	H(C[5]N[5]2H)	H(C[5]N[5]2H)	C[5](N[5]C[5,6]C)2(H)2{2|H<1>,2|N<3>}	H(C[5]N[5]2H)	H(C[5]N[5]2H)	109.1040	0.000	1	111.4115	4.176	11	110.1536	4.253	40	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,6]C[6a])2(H)2	H(C[5]N[5]2H)	H(C[5]N[5]2H)	C[5](N[5]C[5,6]C[6a])2(H)2{1|C<4>,1|H<1>,1|N<3>,5|C<3>}	H(C[5]N[5]2H)	H(C[5]N[5]2H)	109.1520	0.000	1	109.1520	0.000	1	110.1536	4.253	40	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,6a]C)2(H)2	H(C[5]N[5]2H)	H(C[5]N[5]2H)	C[5](N[5]C[5,6a]C)2(H)2{2|C<3>}	H(C[5]N[5]2H)	H(C[5]N[5]2H)	116.0960	0.000	1	116.0960	0.000	1	110.1536	4.253	40	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H)2	H(C[5]N[5]2H)	H(C[5]N[5]2H)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H)2{4|C<3>}	H(C[5]N[5]2H)	H(C[5]N[5]2H)	109.0280	0.000	1	109.0280	0.000	1	110.1536	4.253	40	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]C)(N[5]C[5]S)(H)2	H(C[5]N[5]2H)	H(C[5]N[5]2H)	C[5](N[5]C[5]C)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]N[5]2H)	H(C[5]N[5]2H)	108.8575	0.053	2	108.7783	0.020	3	110.1536	4.253	40	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]C)(N[5]C[5]S)(H)2	H(C[5]N[5]2H)	H(C[5]N[5]2H)	C[5](N[5]C[5]C)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	H(C[5]N[5]2H)	H(C[5]N[5]2H)	108.6200	0.000	1	108.7783	0.020	3	110.1536	4.253	40	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]C)2(H)2	H(C[5]N[5]2H)	H(C[5]N[5]2H)	C[5](N[5]C[5]C)2(H)2{1|C<4>,1|H<1>,1|O<1>}	H(C[5]N[5]2H)	H(C[5]N[5]2H)	109.1415	0.026	2	109.8107	4.760	7	110.1536	4.253	40	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]C)2(H)2	H(C[5]N[5]2H)	H(C[5]N[5]2H)	C[5](N[5]C[5]C)2(H)2{4|H<1>}	H(C[5]N[5]2H)	H(C[5]N[5]2H)	110.0784	2.613	5	109.8107	4.760	7	110.1536	4.253	40	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]H)(N[5]C[5]S)(H)2	H(C[5]N[5]2H)	H(C[5]N[5]2H)	C[5](N[5]C[5]H)(N[5]C[5]S)(H)2{1|C<4>,3|C<3>}	H(C[5]N[5]2H)	H(C[5]N[5]2H)	108.9320	0.000	1	108.9320	0.000	1	110.1536	4.253	40	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)2	H(C[5]N[5]2H)	H(C[5]N[5]2H)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)2{1|C<4>,1|O<1>,3|C<3>}	H(C[5]N[5]2H)	H(C[5]N[5]2H)	108.8140	0.000	1	108.8250	0.004	4	110.1536	4.253	40	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)2	H(C[5]N[5]2H)	H(C[5]N[5]2H)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)2{1|H<1>,1|O<1>,3|C<3>}	H(C[5]N[5]2H)	H(C[5]N[5]2H)	108.8990	0.000	1	108.8250	0.004	4	110.1536	4.253	40	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)2	H(C[5]N[5]2H)	H(C[5]N[5]2H)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)2{1|O<1>,2|C<3>,2|C<4>}	H(C[5]N[5]2H)	H(C[5]N[5]2H)	108.7935	0.073	2	108.8250	0.004	4	110.1536	4.253	40	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C[6])(H)2	H(C[5]N[5]2H)	H(C[5]N[5]2H)	C[5](N[5]C[6a]C[5])(N[5]C[5]C[6])(H)2{1|Ir<6>,1|N<3>,2|H<1>,3|C<3>}	H(C[5]N[5]2H)	H(C[5]N[5]2H)	109.4560	0.000	1	109.4560	0.000	1	110.1536	4.253	40	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(H)2	H(C[5]N[5]2H)	H(C[5]N[5]2H)	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(H)2{1|N<2>,2|C<3>,2|H<1>}	H(C[5]N[5]2H)	H(C[5]N[5]2H)	109.5010	0.000	1	109.5010	0.000	1	110.1536	4.253	40	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(N[5]N[5]C)(H)2	H(C[5]N[5]2H)	H(C[5]N[5]2H)	C[5](N[5]C[6a]C[5])(N[5]N[5]C)(H)2{1|H<1>,1|S<1>,2|C<3>}	H(C[5]N[5]2H)	H(C[5]N[5]2H)	109.3650	0.000	1	109.3650	0.000	1	110.1536	4.253	40	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])2(H)2	H(C[5]N[5]2H)	H(C[5]N[5]2H)	C[5](N[5]C[6a]C[5])2(H)2{2|H<1>,2|O<2>,4|C<3>}	H(C[5]N[5]2H)	H(C[5]N[5]2H)	109.1360	0.000	1	109.1360	0.000	1	110.1536	4.253	40	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	N[5]-3:S[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]C)(S[5]C[5]O)(H)2	H(C[5]N[5]S[5]H)	H(C[5]N[5]S[5]H)	C[5](N[5]C[5]C)(S[5]C[5]O)(H)2{1|C<3>,3|H<1>}	H(C[5]N[5]S[5]H)	H(C[5]N[5]S[5]H)	108.9300	0.000	1	108.9300	0.000	1	108.9300	0.000	1	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	O[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](O[5]C[5]Al)(C[5]C[5]H)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](O[5]C[5]Al)(C[5]C[5]H)(H)2{3|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7915	0.016	2	108.7915	0.000	2	108.7865	1.177	13	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	O[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](O[5]C[5]Ca)(C[5]C[5]H)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](O[5]C[5]Ca)(C[5]C[5]H)(H)2{4|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	111.9050	0.000	1	111.9050	0.000	1	108.7865	1.177	13	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	O[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](O[5]C[5]Li)(C[5]C[5]H)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](O[5]C[5]Li)(C[5]C[5]H)(H)2{4|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9077	0.672	3	108.9077	0.452	3	108.7865	1.177	13	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	O[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](O[5]C[5]Mg)(C[5]C[5]H)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](O[5]C[5]Mg)(C[5]C[5]H)(H)2{4|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	107.7463	0.217	3	107.7463	0.047	3	108.7865	1.177	13	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	O[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](O[5]C[5]Zr)(C[5]C[5]H)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](O[5]C[5]Zr)(C[5]C[5]H)(H)2{3|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8290	0.040	2	108.8290	0.002	2	108.7865	1.177	13	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	O[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](O[5]Nb[5]C)(C[5]O[5]O)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](O[5]Nb[5]C)(C[5]O[5]O)(H)2{3|Br<1>,1|O<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.5820	0.000	1	108.5580	0.001	2	108.7865	1.177	13	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	O[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](O[5]Nb[5]C)(C[5]O[5]O)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](O[5]Nb[5]C)(C[5]O[5]O)(H)2{3|Cl<1>,1|O<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.5340	0.000	1	108.5580	0.001	2	108.7865	1.177	13	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	P[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]C[6a]C[5])(C[5]C[5]H)(H)2	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]C[5])(C[5]C[5]H)(H)2{2|C<3>,3|H<1>}	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	108.9745	0.361	4	108.9745	0.131	4	108.9745	0.131	4	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	S[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](S[5]C[5,5]O)(C[5]N[5]O)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](S[5]C[5,5]O)(C[5]N[5]O)(H)2{3|C<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.3920	0.000	1	108.3920	0.000	1	108.1235	0.051	4	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	S[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](S[5]S[5]Ru)(C[5]C[5]C)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](S[5]S[5]Ru)(C[5]C[5]C)(H)2{1|Ru<6>,2|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	107.9370	0.016	2	107.9370	0.000	2	108.1235	0.051	4	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:3:1:1:	4:	4:	S[5]-3:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](S[5]S[5]Ru)(C[5]C[5]H)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](S[5]S[5]Ru)(C[5]C[5]H)(H)2{1|Ru<6>,1|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.2280	0.000	1	108.2280	0.000	1	108.1235	0.051	4	108.9969	3.105	1165	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	B[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](B[5]C[6a]B[5])(C[5]N[5]HH)(H)2	H(C[5]B[5]C[5]H)	H(C[5]B[5]C[5]H)	C[5](B[5]C[6a]B[5])(C[5]N[5]HH)(H)2{1|I<1>,2|C<4>,3|C<3>}	H(C[5]B[5]C[5]H)	H(C[5]B[5]C[5]H)	108.3000	0.000	1	108.3000	0.000	1	108.7985	0.497	2	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	B[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](B[5]C[6a]O[5])(C[5]C[5]HP)(H)2	H(C[5]B[5]C[5]H)	H(C[5]B[5]C[5]H)	C[5](B[5]C[6a]O[5])(C[5]C[5]HP)(H)2{1|B<4>,1|H<1>,2|C<3>}	H(C[5]B[5]C[5]H)	H(C[5]B[5]C[5]H)	109.2970	0.000	1	109.2970	0.000	1	108.7985	0.497	2	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[4,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4,5]C[4])(C[5]C[5]HH)(H)2	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>}	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	109.2595	0.001	2	109.2595	0.000	2	109.2595	0.000	2	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6])(C[5]C[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	109.3020	0.000	1	109.3020	0.000	1	109.3020	0.000	1	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5]-3:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]S[5])(C[5,5]C[5]S[5]2)(H)2	H(C[5]C[5,5]2H)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5,5]S[5])(C[5,5]C[5]S[5]2)(H)2{1|S<2>,4|C<3>}	H(C[5]C[5,5]2H)	H(C[5]C[5,5]2H)	109.3840	0.000	1	109.3840	0.000	1	109.0495	0.107	6	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5]-3:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6]N[5,5])(C[5,5]C[5,5]C[5]H)(H)2	H(C[5]C[5,5]2H)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5,6]N[5,5])(C[5,5]C[5,5]C[5]H)(H)2{1|Si<4>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]2H)	H(C[5]C[5,5]2H)	108.8642	0.200	4	108.8642	0.040	4	109.0495	0.107	6	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5]-3:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]N[5])(C[5,5]C[5]3)(H)2	H(C[5]C[5,5]2H)	H(C[5]C[5,5]2H)	C[5](C[5,5]N[5,5]N[5])(C[5,5]C[5]3)(H)2{1|C<4>,1|N<3>,3|C<3>,6|H<1>}	H(C[5]C[5,5]2H)	H(C[5]C[5,5]2H)	109.4560	0.000	1	109.4560	0.000	1	109.0495	0.107	6	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5]-3:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5])(C[5,6]O[5,6]C[6]H)(H)2	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5,6]C[5])(C[5,6]O[5,6]C[6]H)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	109.5700	0.000	1	109.5700	0.000	1	109.5475	0.001	2	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5]-3:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6]C[5,6]C[6]H)(H)2	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6]C[5,6]C[6]H)(H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	109.5250	0.000	1	109.5250	0.000	1	109.5475	0.001	2	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3,5,5]C[5,5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3,5,5]C[5,5])(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1950	0.122	2	109.1950	0.015	2	109.1311	1.338	154	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3x5,6]C[5])(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5,6]C[5])(C[5]C[5,5]HH)(H)2{1|Si<4>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.7390	0.000	1	109.5525	0.017	4	109.1311	1.338	154	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3x5,6]C[5])(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5,6]C[5])(C[5]C[5,5]HH)(H)2{1|Si<4>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.5380	0.000	1	109.5525	0.017	4	109.1311	1.338	154	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3x5,6]C[5])(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5,6]C[5])(C[5]C[5,5]HH)(H)2{2|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.4665	0.012	2	109.5525	0.017	4	109.1311	1.338	154	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3x5,6]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5,6]N[5])(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1920	0.000	1	109.1920	0.000	1	109.1311	1.338	154	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3x5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	102.1330	0.000	1	102.1330	0.000	1	109.1311	1.338	154	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(H)2{2|C<3>,4|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0340	0.000	1	109.0340	0.000	1	109.1311	1.338	154	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]N[5])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]N[5])(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1430	0.000	1	109.1430	0.000	1	109.1311	1.338	154	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1800	0.000	1	109.2105	0.002	2	109.1311	1.338	154	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>,2|O<2>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.2410	0.000	1	109.2105	0.002	2	109.1311	1.338	154	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	106.9980	0.000	2	108.6882	1.126	9	109.1311	1.338	154	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	110.3480	0.000	1	108.6882	1.126	9	109.1311	1.338	154	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(H)2{1|Se<2>,2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9750	0.096	6	108.6882	1.126	9	109.1311	1.338	154	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8770	0.000	1	108.9030	0.001	2	109.1311	1.338	154	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CH)(H)2{3|C<3>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9290	0.000	1	108.9030	0.001	2	109.1311	1.338	154	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|P<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7910	0.000	1	108.9159	1.291	53	109.1311	1.338	154	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|P<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0517	0.118	23	108.9159	1.291	53	109.1311	1.338	154	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1720	0.000	1	108.9159	1.291	53	109.1311	1.338	154	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9710	0.021	2	108.9159	1.291	53	109.1311	1.338	154	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	107.0663	5.260	3	108.9159	1.291	53	109.1311	1.338	154	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0507	0.126	7	108.9159	1.291	53	109.1311	1.338	154	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,2|N<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1070	0.027	2	108.9159	1.291	53	109.1311	1.338	154	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9310	0.030	2	108.9159	1.291	53	109.1311	1.338	154	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|P<3>,2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9910	0.181	3	108.9159	1.291	53	109.1311	1.338	154	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|P<4>,2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9759	0.206	8	108.9159	1.291	53	109.1311	1.338	154	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0370	0.000	1	108.9159	1.291	53	109.1311	1.338	154	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(H)2{2|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0090	0.000	1	109.0090	0.000	1	109.1311	1.338	154	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|N<2>,1|S<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9770	0.000	1	109.2512	0.034	4	109.1311	1.338	154	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,1|S<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.3427	0.020	3	109.2512	0.034	4	109.1311	1.338	154	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5])(C[5]C[5]HH)(H)2{1|B<4>,1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.3677	0.085	3	109.3678	0.005	4	109.1311	1.338	154	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5])(C[5]C[5]HH)(H)2{1|S<2>,2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.3680	0.000	1	109.3678	0.005	4	109.1311	1.338	154	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]S[5])(C[5]C[5]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]S[5])(C[5]C[5]CH)(H)2{1|C<3>,1|S<2>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.3735	0.276	2	109.3735	0.076	2	109.1311	1.338	154	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]S[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]S[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.3260	0.000	1	109.4847	1.366	50	109.1311	1.338	154	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]S[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]S[5])(C[5]C[5]HH)(H)2{1|C<3>,1|S<2>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.4880	1.181	49	109.4847	1.366	50	109.1311	1.338	154	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]S[5])(C[5]Se[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]S[5])(C[5]Se[5]HH)(H)2{1|C<3>,1|S<2>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.5790	0.000	1	108.5790	0.000	1	109.1311	1.338	154	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[3x5]C[5])(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[3x5]C[5])(C[5]C[5,5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.3000	0.000	1	109.3000	0.000	1	109.1311	1.338	154	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1538	0.137	4	109.1538	0.019	4	109.1311	1.338	154	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]CH)(H)2{2|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.2850	0.000	1	109.2850	0.000	1	109.1311	1.338	154	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.2707	0.103	4	109.2872	0.006	10	109.1311	1.338	154	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.2982	0.064	6	109.2872	0.006	10	109.1311	1.338	154	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5a]-3:C[3x5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[3x5]C[5,5]2C[5])(H)2	H(C[5]C[5,5a]C[3x5]H)	H(C[5]C[5,5a]C[3x5]H)	C[5](C[5,5a]C[5,5a]N[5a])(C[3x5]C[5,5]2C[5])(H)2{1|C<4>,1|O<2>,1|S<4>,3|H<1>,5|C<3>}	H(C[5]C[5,5a]C[3x5]H)	H(C[5]C[5,5a]C[3x5]H)	109.3940	0.000	1	109.3940	0.000	1	109.3940	0.000	1	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5,5]C[5]C)(H)2	H(C[5]C[5,5a]C[5,5]H)	H(C[5]C[5,5a]C[5,5]H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5,5]C[5]C)(H)2{1|O<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5a]C[5,5]H)	H(C[5]C[5,5a]C[5,5]H)	109.2720	0.062	2	109.2720	0.004	2	108.0682	6.836	5	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5,5]C[5]H)(H)2	H(C[5]C[5,5a]C[5,5]H)	H(C[5]C[5,5a]C[5,5]H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5,5]C[5]H)(H)2{1|C<4>,1|O<2>,1|S<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5a]C[5,5]H)	H(C[5]C[5,5a]C[5,5]H)	109.3390	0.000	1	109.3390	0.000	1	108.0682	6.836	5	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]H)(H)2	H(C[5]C[5,5a]C[5,5]H)	H(C[5]C[5,5a]C[5,5]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]H)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,5a]C[5,5]H)	H(C[5]C[5,5a]C[5,5]H)	109.0630	0.000	1	109.0630	0.000	1	108.0682	6.836	5	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,6a]C[5,5]H)(H)2	H(C[5]C[5,5a]C[5,5]H)	H(C[5]C[5,5a]C[5,5]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,6a]C[5,5]H)(H)2{1|C<4>,1|N<3>,1|O<2>,4|C<3>}	H(C[5]C[5,5a]C[5,5]H)	H(C[5]C[5,5a]C[5,5]H)	103.3950	0.000	1	103.3950	0.000	1	108.0682	6.836	5	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6,6]H)(H)2	H(C[5]C[5,5a]C[5,6]H)	H(C[5]C[5,5a]C[5,6]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6,6]H)(H)2{1|H<1>,1|N<3>,2|C<3>,4|C<4>}	H(C[5]C[5,5a]C[5,6]H)	H(C[5]C[5,5a]C[5,6]H)	109.4840	0.000	2	109.6016	0.013	5	109.5563	0.017	13	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6,6]H)(H)2	H(C[5]C[5,5a]C[5,6]H)	H(C[5]C[5,5a]C[5,6]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6,6]H)(H)2{1|N<3>,2|C<3>,5|C<4>}	H(C[5]C[5,5a]C[5,6]H)	H(C[5]C[5,5a]C[5,6]H)	109.6800	0.054	3	109.6016	0.013	5	109.5563	0.017	13	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(H)2	H(C[5]C[5,5a]C[5,6]H)	H(C[5]C[5,5a]C[5,6]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,5a]C[5,6]H)	H(C[5]C[5,5a]C[5,6]H)	109.2220	0.000	1	109.5280	0.020	8	109.5563	0.017	13	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(H)2	H(C[5]C[5,5a]C[5,6]H)	H(C[5]C[5,5a]C[5,6]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5a]C[5,6]H)	H(C[5]C[5,5a]C[5,6]H)	109.5717	0.070	7	109.5280	0.020	8	109.5563	0.017	13	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a,6])(C[5]C[5]HH)(H)2	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5,5a]C[5a,6])(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	109.0930	0.000	1	109.0930	0.000	1	109.2163	0.391	73	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CC)(H)2	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CC)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	109.3705	0.030	2	109.2526	0.072	5	109.2163	0.391	73	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CC)(H)2	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CC)(H)2{1|S<2>,2|C<3>,2|H<1>}	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	109.1740	0.348	3	109.2526	0.072	5	109.2163	0.391	73	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2{1|C<2>,1|C<3>,1|N<3>,1|O<1>}	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	109.1880	0.000	1	108.7611	0.627	8	109.2163	0.391	73	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	109.2665	0.045	2	108.7611	0.627	8	109.2163	0.391	73	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>}	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	109.0140	0.068	2	108.7611	0.627	8	109.2163	0.391	73	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2{1|S<2>,2|C<3>,2|H<1>}	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	108.1133	1.074	3	108.7611	0.627	8	109.2163	0.391	73	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]CC)(H)2	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]CC)(H)2{1|C<4>,4|C<3>}	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	109.3490	0.000	1	109.3490	0.000	1	109.2163	0.391	73	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(H)2	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	109.2260	0.000	1	109.3293	0.009	3	109.2163	0.391	73	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(H)2	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(H)2{1|O<1>,1|S<4>,2|C<3>}	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	109.3810	0.051	2	109.3293	0.009	3	109.2163	0.391	73	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]H)(H)2	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]H)(H)2{1|S<4>,2|H<1>,4|C<3>}	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	109.3510	0.000	1	109.3510	0.000	1	109.2163	0.391	73	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]O)(H)2	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]O)(H)2{1|C<4>,1|N<2>,4|C<3>}	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	109.2110	0.000	1	109.2110	0.000	1	109.2163	0.391	73	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]CH)(H)2	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]CH)(H)2{1|C<2>,1|C<4>,2|C<3>}	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	109.2030	0.000	1	109.2030	0.000	1	109.2163	0.391	73	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]HH)(H)2	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	109.3530	0.000	1	110.0880	2.561	7	109.2163	0.391	73	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]HH)(H)2	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	110.3976	1.850	5	110.0880	2.561	7	109.2163	0.391	73	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]HH)(H)2	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]HH)(H)2{3|C<3>}	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	109.2750	0.000	1	110.0880	2.561	7	109.2163	0.391	73	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]HS)(H)2	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]HS)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	109.4700	0.000	1	109.4700	0.000	1	109.2163	0.391	73	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]S[5]HH)(H)2	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]S[5]HH)(H)2{1|C<3>,1|S<2>}	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	109.1770	0.000	1	109.1770	0.000	1	109.2163	0.391	73	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5,5]HH)(H)2{1|C<4>,2|C<3>,2|N<3>}	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	108.9900	0.000	1	108.9900	0.000	1	109.2163	0.391	73	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]CC)(H)2	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]CC)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	109.1750	0.000	1	109.1750	0.000	1	109.2163	0.391	73	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]CH)(H)2	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]CH)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	109.3420	0.000	1	109.1740	0.021	3	109.2163	0.391	73	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]CH)(H)2	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]CH)(H)2{1|N<3>,1|O<1>,2|C<3>}	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	109.0900	0.016	2	109.1740	0.021	3	109.2163	0.391	73	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(H)2	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	109.3480	0.000	1	109.1567	0.029	3	109.2163	0.391	73	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(H)2	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(H)2{1|S<2>,2|C<3>,2|H<1>}	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	109.0610	0.047	2	109.1567	0.029	3	109.2163	0.391	73	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(H)2	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(H)2{1|H<1>,1|N<3>,5|C<3>}	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	109.0060	0.000	1	109.0795	0.011	2	109.2163	0.391	73	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(H)2	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(H)2{1|N<3>,2|H<1>,4|C<3>}	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	109.1530	0.000	1	109.0795	0.011	2	109.2163	0.391	73	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CC)(H)2	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CC)(H)2{2|H<1>,3|C<3>}	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	109.0570	0.000	1	109.0570	0.000	1	109.2163	0.391	73	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(H)2	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(H)2{1|H<1>,4|C<3>}	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	109.0580	0.000	1	109.1135	0.006	2	109.2163	0.391	73	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(H)2	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(H)2{2|N<2>,3|H<1>}	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	109.1690	0.000	1	109.1135	0.006	2	109.2163	0.391	73	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2{1|C<2>,2|C<3>,2|H<1>}	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	109.0935	0.127	2	109.1461	0.018	30	109.2163	0.391	73	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|S<4>,2|H<1>}	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	109.0820	0.000	1	109.1461	0.018	30	109.2163	0.391	73	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	109.0120	0.000	1	109.1461	0.018	30	109.2163	0.391	73	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	108.7270	0.000	1	109.1461	0.018	30	109.2163	0.391	73	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2{1|H<1>,4|C<3>}	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	109.0485	0.026	2	109.1461	0.018	30	109.2163	0.391	73	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2{1|N<2>,2|C<3>,2|H<1>}	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	109.2148	0.096	17	109.1461	0.018	30	109.2163	0.391	73	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	H(C[5]C[5,5a]C[5]H)	H(C[5]C[5,5a]C[5]H)	109.1045	0.105	6	109.1461	0.018	30	109.2163	0.391	73	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5a]-3:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]HH)(H)2	H(C[5]C[5,5a]N[5]H)	H(C[5]C[5,5a]N[5]H)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]HH)(H)2{1|N<3>,2|H<1>,2|N<2>}	H(C[5]C[5,5a]N[5]H)	H(C[5]C[5,5a]N[5]H)	109.3730	0.000	1	109.3730	0.000	1	109.4470	0.011	2	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5a]-3:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[5]HH)(H)2	H(C[5]C[5,5a]N[5]H)	H(C[5]C[5,5a]N[5]H)	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[5]C[5,5a]N[5]H)	H(C[5]C[5,5a]N[5]H)	109.5210	0.000	1	109.5210	0.000	1	109.4470	0.011	2	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5a]-3:S[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(S[5]C[5]OO)(H)2	H(C[5]C[5,5a]S[5]H)	H(C[5]C[5,5a]S[5]H)	C[5](C[5,5a]C[5,5a]C[5a])(S[5]C[5]OO)(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,5a]S[5]H)	H(C[5]C[5,5a]S[5]H)	109.2760	0.049	4	109.2760	0.002	4	109.2914	0.003	5	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,5a]-3:S[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(S[5]C[5]OO)(H)2	H(C[5]C[5,5a]S[5]H)	H(C[5]C[5,5a]S[5]H)	C[5](C[5,5a]N[5,5a]C[5a])(S[5]C[5]OO)(H)2{1|N<2>,2|C<3>,2|H<1>}	H(C[5]C[5,5a]S[5]H)	H(C[5]C[5,5a]S[5]H)	109.3530	0.000	1	109.3530	0.000	1	109.2914	0.003	5	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6])(C[5]C[5]CC)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[3x6])(C[5]C[5]CC)(H)2{2|H<1>,4|C<4>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	109.1085	0.011	2	109.1085	0.000	2	109.1085	0.000	2	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]2)(H)2	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]2)(H)2{1|O<1>,2|C<3>,2|O<2>,6|H<1>}	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	109.2710	0.124	2	109.2710	0.015	2	109.2710	0.015	2	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[3,5,6]C[6])(C[5]C[3,5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,5,6]C[6])(C[5]C[3,5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8900	0.000	1	108.8900	0.000	1	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[3,6]C[5,6])(C[5]C[5,5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,6]C[5,6])(C[5]C[5,5]HH)(H)2{2|C<4>,4|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0210	0.000	1	109.0210	0.000	1	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.2560	0.023	2	109.2560	0.001	2	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5]CC)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9640	0.000	1	108.9640	0.000	1	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.2460	0.000	1	108.2460	0.000	1	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5]HO)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5]HO)(H)2{1|O<2>,5|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1010	0.000	1	109.1010	0.000	1	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]CC)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9255	0.037	2	108.9255	0.001	2	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0130	0.000	1	109.0130	0.000	1	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9780	0.000	1	108.9800	0.000	2	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9820	0.000	1	108.9800	0.000	2	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]HH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7290	0.000	1	108.7290	0.000	1	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]2)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2)(C[5]C[5]HH)(H)2{2|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9010	0.000	1	108.9010	0.000	1	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]2H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]2H)(H)2{2|H<1>,3|C<3>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0490	0.000	1	109.0490	0.000	1	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)2{1|C<2>,1|C<3>,1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.5770	1.141	2	108.7105	0.461	4	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)2{1|H<1>,5|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8440	0.098	2	108.7105	0.461	4	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2H)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1290	0.000	1	109.1290	0.000	1	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0325	0.063	2	109.0700	0.255	12	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.4177	0.770	4	109.0700	0.255	12	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)2{1|C<3>,1|H<1>,2|N<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6710	0.172	3	109.0700	0.255	12	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)2{1|C<3>,1|N<3>,1|O<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0310	0.000	1	109.0700	0.255	12	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)2{1|N<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0360	0.000	1	109.0700	0.255	12	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)2{2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0240	0.000	1	109.0700	0.255	12	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH)(H)2{2|C<4>,2|O<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8870	0.000	1	108.9063	0.001	3	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH)(H)2{2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9160	0.031	2	108.9063	0.001	3	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9800	0.000	1	108.9357	0.119	57	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1517	0.150	3	108.9357	0.119	57	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8390	0.000	1	108.9357	0.119	57	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1320	0.000	1	108.9357	0.119	57	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0157	0.031	3	108.9357	0.119	57	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7090	0.000	1	108.9357	0.119	57	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,2|N<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0880	0.000	1	108.9357	0.119	57	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0925	0.083	2	108.9357	0.119	57	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0357	0.064	3	108.9357	0.119	57	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|N<2>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	106.6030	0.000	1	108.9357	0.119	57	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8330	0.000	1	108.9357	0.119	57	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8630	0.016	3	108.9357	0.119	57	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0347	0.063	3	108.9357	0.119	57	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0472	0.130	11	108.9357	0.119	57	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0635	0.134	2	108.9357	0.119	57	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9727	0.052	4	108.9357	0.119	57	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9690	0.000	1	108.9357	0.119	57	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|Si<4>,1|C<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6785	0.090	2	108.9357	0.119	57	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{2|B<3>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1350	0.000	1	108.9357	0.119	57	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0265	0.104	2	108.9357	0.119	57	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8850	0.123	5	108.9357	0.119	57	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8372	0.115	5	108.9357	0.119	57	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]SS)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]SS)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.5537	0.093	3	109.5537	0.009	3	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5]C)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5]C)(H)2{1|S<2>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0970	0.000	1	109.0580	0.003	2	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5]C)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5]C)(H)2{3|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0190	0.000	1	109.0580	0.003	2	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9660	0.000	1	108.9660	0.000	1	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]S[5]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]S[5]H)(H)2{1|C<4>,1|H<1>,1|S<4>,3|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.4495	0.117	2	108.4495	0.014	2	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<2>,1|C<3>,1|H<1>,1|O<2>,1|S<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.2910	0.000	1	108.9358	0.193	11	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<2>,1|H<1>,2|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8550	0.000	1	108.9358	0.193	11	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|S<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.3170	0.000	1	108.9358	0.193	11	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.2870	0.000	1	108.9358	0.193	11	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0340	0.000	1	108.9358	0.193	11	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0155	0.062	2	108.9358	0.193	11	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.5280	0.708	3	108.9358	0.193	11	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8950	0.000	1	108.9358	0.193	11	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CC)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9543	0.066	4	108.9543	0.004	4	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(H)2{1|O<1>,2|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.2015	0.101	2	109.2075	0.002	6	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(H)2{1|O<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.2105	0.015	4	109.2075	0.002	6	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.3220	0.000	1	109.3415	0.008	4	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(H)2{1|C<4>,1|N<3>,1|O<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.3280	0.000	1	109.3415	0.008	4	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.2520	0.000	1	109.3415	0.008	4	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(H)2{1|O<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.4640	0.000	1	109.3415	0.008	4	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]N[5,6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[5,6])(C[5]C[5]HH)(H)2{1|Si<5>,1|C<4>,1|N<2>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	107.0100	0.000	1	107.0100	0.000	1	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1193	0.033	3	109.1129	0.005	7	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.2280	0.000	1	109.1129	0.005	7	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1160	0.000	1	109.1129	0.005	7	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]HH)(H)2{1|Co<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0010	0.000	1	109.1129	0.005	7	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]HH)(H)2{1|Ir<8>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0870	0.000	1	109.1129	0.005	7	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]N[6])(C[5]S[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[6])(C[5]S[5]HH)(H)2{1|C<4>,2|C<3>,2|O<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6920	0.000	1	108.6920	0.000	1	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.2470	0.000	1	109.2470	0.000	1	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]CO)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]CO)(H)2{1|O<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9633	0.239	3	108.9633	0.057	3	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.0715	1.555	2	108.6155	1.202	4	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1595	0.059	2	108.6155	1.202	4	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]O[6])(C[5]S[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6])(C[5]S[5]HH)(H)2{1|C<3>,1|C<4>,2|O<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6080	0.101	4	108.6080	0.010	4	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5x3,6x5,21x6]C[6])(C[5]C[5x3,6x5,20x6]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5x3,6x5,21x6]C[6])(C[5]C[5x3,6x5,20x6]CH)(H)2{1|Si<4>,1|C<3>,6|B<6>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.4475	0.182	2	108.4475	0.033	2	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5x3,6x5,21x6]C[6])(C[5]C[5x3,6x5,20x6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5x3,6x5,21x6]C[6])(C[5]C[5x3,6x5,20x6]HH)(H)2{1|Si<4>,1|C<3>,6|B<6>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.2910	0.000	1	108.2910	0.000	1	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6])(C[5]B[5,5]B[5]2)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6])(C[5]B[5,5]B[5]2)(H)2{1|H<1>,2|C<3>,6|O<2>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.3990	0.000	1	108.3990	0.000	1	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]CC)(H)2{1|B<4>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0825	0.029	2	109.0825	0.001	2	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8880	0.000	1	108.8845	0.000	2	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8810	0.000	1	108.8845	0.000	2	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(H)2{1|B<4>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9360	0.000	1	109.0342	0.099	6	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.5720	0.000	1	109.0342	0.099	6	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1420	0.000	1	109.0342	0.099	6	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6400	0.000	1	109.0342	0.099	6	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8640	0.000	1	109.0342	0.099	6	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(H)2{2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0510	0.000	1	109.0342	0.099	6	108.9419	0.172	160	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:P[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]O)(H)2	H(C[5]C[5,6]P[5]H)	H(C[5]C[5,6]P[5]H)	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]O)(H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,6]P[5]H)	H(C[5]C[5,6]P[5]H)	113.0750	5.798	2	113.0750	33.620	2	111.6487	22.913	3	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:P[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6])(P[5]B[5]CC)(H)2	H(C[5]C[5,6]P[5]H)	H(C[5]C[5,6]P[5]H)	C[5](C[5,6]N[5,6]C[6])(P[5]B[5]CC)(H)2{1|Cl<1>,1|H<1>,3|C<3>}	H(C[5]C[5,6]P[5]H)	H(C[5]C[5,6]P[5]H)	108.7960	0.000	1	108.7960	0.000	1	111.6487	22.913	3	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:S[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(S[5]C[5]OO)(H)2	H(C[5]C[5,6]S[5]H)	H(C[5]C[5,6]S[5]H)	C[5](C[5,6]C[5,6]C[6])(S[5]C[5]OO)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5,6]S[5]H)	H(C[5]C[5,6]S[5]H)	109.0250	0.000	1	109.0250	0.000	1	109.0250	0.000	1	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:B[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(B[5]B[5]C[5]H)(H)2	H(C[5]C[5,6a]B[5]H)	H(C[5]C[5,6a]B[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(B[5]B[5]C[5]H)(H)2{1|H<1>,2|N<3>,3|C<3>}	H(C[5]C[5,6a]B[5]H)	H(C[5]C[5,6a]B[5]H)	108.6740	0.000	1	108.6740	0.000	1	108.9327	0.051	3	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:B[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(B[5]C[6a]N[5]C)(H)2	H(C[5]C[5,6a]B[5]H)	H(C[5]C[5,6a]B[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(B[5]C[6a]N[5]C)(H)2{1|H<1>,2|C<4>,4|C<3>}	H(C[5]C[5,6a]B[5]H)	H(C[5]C[5,6a]B[5]H)	109.0350	0.000	1	109.0350	0.000	1	108.9327	0.051	3	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:B[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(B[5]C[6a]N[5]Cl)(H)2	H(C[5]C[5,6a]B[5]H)	H(C[5]C[5,6a]B[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(B[5]C[6a]N[5]Cl)(H)2{1|H<1>,2|C<4>,4|C<3>}	H(C[5]C[5,6a]B[5]H)	H(C[5]C[5,6a]B[5]H)	109.0890	0.000	1	109.0890	0.000	1	108.9327	0.051	3	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[3,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]2H)(H)2	H(C[5]C[5,6a]C[3,5]H)	H(C[5]C[5,6a]C[3,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]2H)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[3,5]H)	H(C[5]C[5,6a]C[3,5]H)	108.9320	0.000	1	109.0383	0.030	4	108.1533	4.888	6	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[3,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]2H)(H)2	H(C[5]C[5,6a]C[3,5]H)	H(C[5]C[5,6a]C[3,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]2H)(H)2{2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[3,5]H)	H(C[5]C[5,6a]C[3,5]H)	109.0737	0.194	3	109.0383	0.030	4	108.1533	4.888	6	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[3,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2C[5])(H)2	H(C[5]C[5,6a]C[3,5]H)	H(C[5]C[5,6a]C[3,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2C[5])(H)2{1|C<2>,1|O<1>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[3,5]H)	H(C[5]C[5,6a]C[3,5]H)	109.1180	0.000	1	109.1180	0.000	1	108.1533	4.888	6	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[3,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]N[3])(H)2	H(C[5]C[5,6a]C[3,5]H)	H(C[5]C[5,6a]C[3,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]N[3])(H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[3,5]H)	H(C[5]C[5,6a]C[3,5]H)	103.6490	0.000	1	103.6490	0.000	1	108.1533	4.888	6	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[4,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4]2O[5])(H)2	H(C[5]C[5,6a]C[4,5]H)	H(C[5]C[5,6a]C[4,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4]2O[5])(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,4|H<1>}	H(C[5]C[5,6a]C[4,5]H)	H(C[5]C[5,6a]C[4,5]H)	109.4530	0.874	2	109.4530	0.764	2	109.4530	0.764	2	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]C[5]H)(H)2	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]C[5]H)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	108.8415	0.023	2	108.8415	0.001	2	108.7330	1.773	117	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]2H)(H)2	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]2H)(H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	108.9420	0.000	1	108.9420	0.000	1	108.7330	1.773	117	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(H)2	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	108.9624	0.066	16	108.9566	0.005	18	108.7330	1.773	117	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(H)2	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	108.9860	0.000	1	108.9566	0.005	18	108.7330	1.773	117	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(H)2	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(H)2{2|C<4>,2|O<2>,3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	108.8340	0.000	1	108.9566	0.005	18	108.7330	1.773	117	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(H)2	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	100.6240	0.000	1	106.1963	23.310	3	108.7330	1.773	117	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(H)2	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	108.8360	0.000	1	106.1963	23.310	3	108.7330	1.773	117	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(H)2	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	109.1290	0.000	1	106.1963	23.310	3	108.7330	1.773	117	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2{1|C<2>,1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	109.0550	0.000	1	108.5823	2.073	16	108.7330	1.773	117	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	108.9830	0.000	1	108.5823	2.073	16	108.7330	1.773	117	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	109.1070	0.136	2	108.5823	2.073	16	108.7330	1.773	117	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	108.8400	0.000	1	108.5823	2.073	16	108.7330	1.773	117	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2{1|H<1>,2|C<4>,4|C<3>}	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	109.1340	0.000	1	108.5823	2.073	16	108.7330	1.773	117	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2{1|N<3>,1|S<4>,2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	109.1803	0.080	3	108.5823	2.073	16	108.7330	1.773	117	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2{1|N<3>,2|C<3>,2|O<2>,3|H<1>}	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	108.7940	0.000	1	108.5823	2.073	16	108.7330	1.773	117	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2{1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	108.8590	0.000	1	108.5823	2.073	16	108.7330	1.773	117	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2{1|N<3>,3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	107.9900	0.000	1	108.5823	2.073	16	108.7330	1.773	117	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	108.9300	0.047	2	108.5823	2.073	16	108.7330	1.773	117	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2{1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	106.0230	3.857	2	108.5823	2.073	16	108.7330	1.773	117	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O)(H)2	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O)(H)2{1|C<4>,2|H<1>,2|O<2>,3|C<3>}	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	108.9475	0.111	2	108.9475	0.012	2	108.7330	1.773	117	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)2	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)2{1|C<4>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	108.9280	0.000	1	108.8946	0.002	5	108.7330	1.773	117	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)2	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	108.8170	0.000	1	108.8946	0.002	5	108.7330	1.773	117	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)2	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	108.9170	0.000	1	108.8946	0.002	5	108.7330	1.773	117	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)2	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)2{1|N<2>,1|S<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	108.8810	0.000	1	108.8946	0.002	5	108.7330	1.773	117	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)2	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)2{1|S<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	108.9300	0.000	1	108.8946	0.002	5	108.7330	1.773	117	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	108.9270	0.066	3	108.8525	0.925	33	108.7330	1.773	117	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	108.9498	0.230	9	108.8525	0.925	33	108.7330	1.773	117	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	108.6620	0.000	1	108.8525	0.925	33	108.7330	1.773	117	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|N<2>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	109.0065	0.023	2	108.8525	0.925	33	108.7330	1.773	117	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|N<3>,1|P<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	108.9910	0.000	1	108.8525	0.925	33	108.7330	1.773	117	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	108.7446	1.433	15	108.8525	0.925	33	108.7330	1.773	117	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	108.9835	0.059	2	108.8525	0.925	33	108.7330	1.773	117	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(H)2	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(H)2{1|H<1>,1|O<2>,2|O<1>,4|C<3>}	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	102.9280	0.000	2	102.9280	0.000	2	108.7330	1.773	117	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(H)2	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	108.9475	0.278	2	108.9438	0.032	6	108.7330	1.773	117	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(H)2	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(H)2{1|C<4>,1|O<1>,2|H<1>,5|C<3>}	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	109.1550	0.000	1	108.9438	0.032	6	108.7330	1.773	117	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(H)2	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(H)2{1|N<2>,1|O<1>,1|S<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	108.9920	0.000	1	108.9438	0.032	6	108.7330	1.773	117	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(H)2	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(H)2{1|O<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	108.8105	0.015	2	108.9438	0.032	6	108.7330	1.773	117	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(H)2	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	109.1680	0.000	1	109.0730	0.019	3	108.7330	1.773	117	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(H)2	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(H)2{1|O<1>,3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	109.0255	0.159	2	109.0730	0.019	3	108.7330	1.773	117	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(H)2	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(H)2{1|C<4>,1|N<2>,1|O<2>,2|O<1>,3|C<3>}	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	108.8810	0.000	1	108.9137	0.001	3	108.7330	1.773	117	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(H)2	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(H)2{1|H<1>,1|N<2>,1|O<2>,2|O<1>,3|C<3>}	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	108.9300	0.003	2	108.9137	0.001	3	108.7330	1.773	117	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(H)2	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(H)2{1|C<4>,1|N<3>,1|O<1>,1|S<1>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	111.1880	0.000	1	109.2640	0.895	6	108.7330	1.773	117	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(H)2	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(H)2{1|C<4>,1|N<3>,2|C<3>,2|O<1>,3|H<1>}	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	108.9070	0.000	1	109.2640	0.895	6	108.7330	1.773	117	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(H)2	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(H)2{1|H<1>,1|N<2>,1|N<3>,1|O<1>,4|C<3>}	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	108.9030	0.000	1	109.2640	0.895	6	108.7330	1.773	117	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(H)2	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(H)2{1|Se<2>,1|H<1>,1|O<2>,2|O<1>,3|C<3>}	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	108.7180	0.000	1	109.2640	0.895	6	108.7330	1.773	117	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(H)2	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(H)2{2|C<3>,2|O<1>,2|O<2>,3|H<1>}	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	108.9340	0.021	2	109.2640	0.895	6	108.7330	1.773	117	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]S[5])(H)2	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]S[5])(H)2{1|H<1>,1|N<2>,1|O<1>,3|C<3>}	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	108.8420	0.000	1	108.8420	0.000	1	108.7330	1.773	117	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]C)(H)2	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]C)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	109.2120	0.000	1	109.2120	0.000	1	108.7330	1.773	117	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	109.1140	0.040	2	109.1069	0.018	13	108.7330	1.773	117	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2{1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	109.1367	0.200	3	109.1069	0.018	13	108.7330	1.773	117	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2{1|O<2>,1|P<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	109.0127	0.138	4	109.1069	0.018	13	108.7330	1.773	117	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	109.1320	0.000	1	109.1069	0.018	13	108.7330	1.773	117	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2{2|H<1>,5|C<3>}	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	109.2950	0.000	1	109.1069	0.018	13	108.7330	1.773	117	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2{3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	109.1370	0.017	2	109.1069	0.018	13	108.7330	1.773	117	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]N[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(H)2	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]N[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(H)2{1|O<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	108.9990	0.000	1	108.9990	0.000	1	108.7330	1.773	117	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]N[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]N[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	109.0070	0.000	1	109.0070	0.000	1	108.7330	1.773	117	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6]Ru)(H)2	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6]Ru)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	109.1460	0.017	2	109.1460	0.000	2	108.9559	0.762	90	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2C[6a])(H)2	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2C[6a])(H)2{1|C<4>,2|H<1>,6|C<3>}	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	109.0530	0.000	1	109.0530	0.000	1	108.9559	0.762	90	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2H)(H)2	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2H)(H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	109.0305	0.216	2	109.0305	0.047	2	108.9559	0.762	90	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	108.8650	0.260	2	108.9652	0.030	11	108.9559	0.762	90	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	108.9423	0.112	3	108.9652	0.030	11	108.9559	0.762	90	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<2>}	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	108.8550	0.000	1	108.9652	0.030	11	108.9559	0.762	90	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	108.7840	0.000	1	108.9652	0.030	11	108.9559	0.762	90	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	108.9230	0.000	1	108.9652	0.030	11	108.9559	0.762	90	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2{1|H<1>,1|O<2>,5|C<3>}	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	109.1220	0.000	1	108.9652	0.030	11	108.9559	0.762	90	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2{1|H<1>,5|C<3>}	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	109.1000	0.000	1	108.9652	0.030	11	108.9559	0.762	90	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2{1|N<3>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	109.2760	0.000	1	108.9652	0.030	11	108.9559	0.762	90	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]Cr)(H)2	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]Cr)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	106.0410	0.000	1	106.0410	0.000	1	108.9559	0.762	90	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	103.0730	0.000	1	108.7089	1.964	19	108.9559	0.762	90	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	109.1330	0.061	4	108.7089	1.964	19	108.9559	0.762	90	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	109.0293	0.082	6	108.7089	1.964	19	108.9559	0.762	90	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2{1|N<3>,3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	109.1440	0.174	2	108.7089	1.964	19	108.9559	0.762	90	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2{1|O<2>,3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	109.2025	0.012	2	108.7089	1.964	19	108.9559	0.762	90	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	108.5747	0.684	3	108.7089	1.964	19	108.9559	0.762	90	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2{2|H<1>,5|C<3>}	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	109.2710	0.000	1	108.7089	1.964	19	108.9559	0.762	90	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(H)2	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	109.1180	0.000	1	109.0133	0.043	6	108.9559	0.762	90	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(H)2	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	109.1850	0.000	2	109.0133	0.043	6	108.9559	0.762	90	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(H)2	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(H)2{1|H<1>,2|C<4>,4|C<3>}	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	108.7490	0.030	2	109.0133	0.043	6	108.9559	0.762	90	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(H)2	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(H)2{3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	109.0940	0.000	1	109.0133	0.043	6	108.9559	0.762	90	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(H)2	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	109.0805	0.036	4	109.0610	0.003	5	108.9559	0.762	90	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(H)2	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	108.9830	0.000	1	109.0610	0.003	5	108.9559	0.762	90	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]Se[6]H)(H)2	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]Se[6]H)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	109.0720	0.000	1	109.0720	0.000	1	108.9559	0.762	90	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(H)2	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(H)2{1|C<3>,1|N<2>,2|C<4>,2|O<1>,3|H<1>}	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	109.0750	0.000	1	108.9430	0.006	7	108.9559	0.762	90	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(H)2	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(H)2{1|C<4>,1|O<2>,3|C<3>,6|H<1>}	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	108.9003	0.014	3	108.9430	0.006	7	108.9559	0.762	90	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(H)2	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(H)2{1|C<4>,2|O<1>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	108.8660	0.000	1	108.9430	0.006	7	108.9559	0.762	90	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(H)2	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(H)2{1|O<2>,2|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	109.0240	0.000	1	108.9430	0.006	7	108.9559	0.762	90	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(H)2	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(H)2{2|C<3>,2|C<4>,2|O<1>,3|H<1>}	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	108.9350	0.000	1	108.9430	0.006	7	108.9559	0.762	90	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]N[6])(H)2	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]N[6])(H)2{1|C<2>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	109.2230	0.188	3	109.4908	0.840	13	108.9559	0.762	90	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]N[6])(H)2	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]N[6])(H)2{1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	109.2269	0.105	7	109.4908	0.840	13	108.9559	0.762	90	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]N[6])(H)2	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]N[6])(H)2{1|N<3>,1|O<1>,3|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	111.0885	1.959	2	109.4908	0.840	13	108.9559	0.762	90	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]N[6])(H)2	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]N[6])(H)2{1|N<3>,1|O<1>,3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	108.9470	0.000	1	109.4908	0.840	13	108.9559	0.762	90	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(H)2	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(H)2{1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	108.8950	0.089	2	108.8950	0.008	2	108.9559	0.762	90	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(H)2	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(H)2{2|C<4>,3|C<3>,5|H<1>}	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	109.0270	0.017	2	109.0270	0.000	2	108.9559	0.762	90	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(H)2	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(H)2{1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	109.4600	0.000	1	109.4600	0.000	1	108.9559	0.762	90	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[6]O[5])(H)2	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[6]O[5])(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	109.0785	0.052	2	109.0785	0.003	2	108.9559	0.762	90	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[6]S[5])(H)2	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[6]S[5])(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	108.5150	0.000	1	108.5150	0.000	1	108.9559	0.762	90	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]O[6])(H)2	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]O[6])(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	109.1785	0.055	4	109.1785	0.003	4	108.9559	0.762	90	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(H)2	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	109.2310	0.000	1	108.7114	1.007	7	108.9559	0.762	90	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(H)2	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	109.0830	0.000	1	108.7114	1.007	7	108.9559	0.762	90	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(H)2	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	106.7840	0.000	1	108.7114	1.007	7	108.9559	0.762	90	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(H)2	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	109.2950	0.781	2	108.7114	1.007	7	108.9559	0.762	90	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(H)2	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	109.2020	0.000	1	108.7114	1.007	7	108.9559	0.762	90	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(H)2	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	108.0900	0.000	1	108.7114	1.007	7	108.9559	0.762	90	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]S)(H)2	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]S)(H)2{1|H<1>,1|N<2>,1|O<1>,3|C<3>}	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	109.0700	0.000	1	109.0700	0.000	1	108.9559	0.762	90	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5,6]C[6]H)(H)2	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	107.9970	0.000	1	107.9970	0.000	1	108.9559	0.762	90	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6]O[5]O[6])(H)2	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6]O[5]O[6])(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	109.3180	0.000	1	109.3180	0.000	1	108.9559	0.762	90	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,5a,6a]C[6a])(C[5]C[5,5a]C[6a]H)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,5a,6a]C[6a])(C[5]C[5,5a]C[6a]H)(H)2{1|C<4>,5|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.6830	0.000	1	108.6830	0.000	1	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,5a,6a]C[6a])(C[5]N[5,5a]CH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,5a,6a]C[6a])(C[5]N[5,5a]CH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.7555	0.080	4	108.7555	0.006	4	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,5a,6a]C[6a])(C[5]N[5,5a]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,5a,6a]C[6a])(C[5]N[5,5a]HH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.8385	0.011	4	108.8385	0.000	4	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]CH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.1205	0.080	2	109.1205	0.006	2	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(H)2{1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.1180	0.000	1	108.8777	0.048	3	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.6860	0.000	1	108.8777	0.048	3	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.8290	0.000	1	108.8777	0.048	3	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.3320	0.000	1	109.0094	0.033	5	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]HH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.9288	0.033	4	109.0094	0.033	5	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CC)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CC)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.8080	0.305	2	108.8080	0.093	2	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.8475	0.134	2	108.8475	0.018	2	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.7992	0.637	442	108.7876	0.465	443	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2{4|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	103.6610	0.000	1	108.7876	0.465	443	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HO)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HO)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	107.9210	0.000	1	107.9210	0.000	1	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]N[5,6a]CH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]N[5,6a]CH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.8730	0.000	1	108.8730	0.000	1	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]N[5,6a]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]N[5,6a]HH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.9275	0.047	11	108.9275	0.002	11	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]2)(C[5]C[5]CC)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]2)(C[5]C[5]CC)(H)2{1|Se<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.0710	0.178	2	109.0710	0.032	2	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]2)(C[5]C[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]2)(C[5]C[5]HH)(H)2{1|O<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.8910	0.000	1	108.8910	0.000	1	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]2)(C[5]O[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]2)(C[5]O[5]HH)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.0450	0.000	1	109.0450	0.000	1	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]C[5]CC)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]C[5]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.9125	0.166	2	108.9125	0.028	2	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(H)2{1|O<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.8905	0.077	6	108.8934	0.006	8	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.9020	0.123	2	108.8934	0.006	8	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]CH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]CH)(H)2{1|O<2>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.4433	0.102	3	109.4433	0.010	3	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]CH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]CH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.6260	0.000	1	108.6260	0.000	1	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]CH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]CH)(H)2{1|C<4>,1|H<1>,1|S<2>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	107.0590	0.000	1	107.0590	0.000	1	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.1720	0.000	1	109.1720	0.000	1	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3]N[5]H)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3]N[5]H)(H)2{1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.9730	0.000	1	108.9605	0.000	2	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3]N[5]H)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3]N[5]H)(H)2{1|S<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.9480	0.000	1	108.9605	0.000	2	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]BrH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]BrH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.3750	0.083	2	109.3750	0.007	2	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CC)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CC)(H)2{1|C<4>,2|C<3>,2|O<2>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.0920	0.000	1	109.0920	0.000	1	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]ClH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]ClH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.3700	0.107	2	109.3700	0.012	2	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2{1|Br<1>,1|C<4>,1|N<3>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.0210	0.000	1	109.1307	0.009	30	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2{1|Br<1>,1|C<4>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.1020	0.000	1	109.1307	0.009	30	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.1537	0.056	7	109.1307	0.009	30	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.1538	0.114	14	109.1307	0.009	30	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.1050	0.063	6	109.1307	0.009	30	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.9390	0.000	1	109.1307	0.009	30	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.2680	0.000	1	109.2680	0.000	1	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(H)2{1|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.8793	0.085	3	108.8793	0.007	3	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5]H)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5]H)(H)2{1|H<1>,1|O<1>,2|C<4>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.7280	0.000	1	108.7280	0.000	1	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.9700	0.000	1	108.9710	0.036	3	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.7810	0.000	1	108.9710	0.036	3	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(H)2{1|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.1620	0.000	1	108.9710	0.036	3	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(H)2{1|C<4>,1|H<1>,1|O<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.7870	0.000	1	108.8448	0.009	4	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.9720	0.000	1	108.8448	0.009	4	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(H)2{1|O<1>,2|C<4>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.8100	0.071	2	108.8448	0.009	4	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.9040	0.000	1	109.0105	0.011	4	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.0130	0.100	2	109.0105	0.011	4	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(H)2{2|H<1>,2|O<2>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.1120	0.000	1	109.0105	0.011	4	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	107.5510	0.027	2	108.1693	0.524	4	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.6410	0.000	1	108.1693	0.524	4	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(H)2{1|H<1>,1|O<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.9340	0.000	1	108.1693	0.524	4	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Br2)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Br2)(H)2{1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	107.6030	0.000	1	107.6030	0.000	1	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(H)2{1|Br<1>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.4040	0.000	1	109.5323	0.103	3	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(H)2{1|N<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.8970	0.000	1	109.5323	0.103	3	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(H)2{2|Br<1>,1|H<1>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.2960	0.000	1	109.5323	0.103	3	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|C<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.9630	0.116	6	108.8972	4.246	122	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.1900	0.000	1	108.8972	4.246	122	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.0863	0.128	3	108.8972	4.246	122	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	107.0850	0.000	1	108.8972	4.246	122	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|C<4>,1|S<1>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.7310	0.000	1	108.8972	4.246	122	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.0451	0.304	15	108.8972	4.246	122	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|C<4>,2|H<1>,2|N<2>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.1690	0.000	1	108.8972	4.246	122	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|Cl<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.9025	0.011	2	108.8972	4.246	122	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.0130	0.000	1	108.8972	4.246	122	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.6156	1.185	16	108.8972	4.246	122	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	107.9647	3.671	19	108.8972	4.246	122	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	105.6950	0.000	1	108.8972	4.246	122	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|N<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.1240	0.000	1	108.8972	4.246	122	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.1410	0.045	2	108.8972	4.246	122	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.1345	0.523	16	108.8972	4.246	122	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|O<2>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.9086	0.039	5	108.8972	4.246	122	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.4137	1.077	19	108.8972	4.246	122	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.6600	4.029	12	108.8972	4.246	122	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|B<3>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.6820	0.000	1	108.5077	1.686	62	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.8780	0.107	2	108.5077	1.686	62	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.2235	0.848	8	108.5077	1.686	62	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|C<4>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	107.5583	1.298	7	108.5077	1.686	62	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.9340	0.000	1	108.5077	1.686	62	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.8345	0.070	11	108.5077	1.686	62	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|H<1>,1|O<3>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.5210	0.000	1	108.5077	1.686	62	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.1750	1.219	2	108.5077	1.686	62	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	107.5177	2.005	14	108.5077	1.686	62	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.0030	0.000	1	108.5077	1.686	62	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.0160	0.000	1	108.5077	1.686	62	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.1167	0.203	4	108.5077	1.686	62	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|O<3>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.9140	0.000	1	108.5077	1.686	62	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.0847	0.053	3	108.5077	1.686	62	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.0916	0.103	5	108.5077	1.686	62	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(H)2{1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.8345	0.190	2	109.0039	0.021	13	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(H)2{2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.0347	0.124	11	109.0039	0.021	13	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(H)2{1|Br<1>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.9070	0.000	1	108.9778	0.011	8	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(H)2{1|Br<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.0570	0.000	1	108.9778	0.011	8	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(H)2{1|H<1>,1|N<2>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.9560	0.000	1	108.9778	0.011	8	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(H)2{1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.8883	0.041	3	108.9778	0.011	8	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.1185	0.006	2	108.9778	0.011	8	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CS)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CS)(H)2{1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.8630	0.092	2	108.8630	0.008	2	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]C)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.7580	0.000	1	108.8340	0.012	2	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]C)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]C)(H)2{1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.9100	0.000	1	108.8340	0.012	2	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(H)2{2|C<3>,2|C<4>,2|F<1>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.7780	0.000	1	109.7780	0.000	1	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]FH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]FH)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.0955	0.332	2	109.0955	0.110	2	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|Br<1>,1|C<3>,1|N<2>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.8340	0.000	1	108.7436	0.941	147	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|Br<1>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.8980	0.000	1	108.7436	0.941	147	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.9270	0.000	1	108.7436	0.941	147	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.4253	1.041	12	108.7436	0.941	147	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	106.2690	0.000	1	108.7436	0.941	147	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.9545	0.209	2	108.7436	0.941	147	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.0355	0.056	2	108.7436	0.941	147	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.0730	0.000	1	108.7436	0.941	147	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|O<2>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.9500	0.000	1	108.7436	0.941	147	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.7590	0.000	1	108.7436	0.941	147	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,2|O<2>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.0640	0.000	1	108.7436	0.941	147	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.9890	0.000	1	108.7436	0.941	147	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.6578	0.805	5	108.7436	0.941	147	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.9656	0.053	5	108.7436	0.941	147	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.0301	0.131	7	108.7436	0.941	147	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<4>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.1900	0.000	1	108.7436	0.941	147	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|Cl<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.9530	0.000	1	108.7436	0.941	147	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|Cl<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.9680	0.000	1	108.7436	0.941	147	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|H<1>,1|N<2>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.8380	0.016	3	108.7436	0.941	147	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.0430	0.000	2	108.7436	0.941	147	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.1897	1.988	18	108.7436	0.941	147	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|H<1>,1|S<1>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.9180	0.038	2	108.7436	0.941	147	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.9550	0.209	2	108.7436	0.941	147	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.9293	0.077	15	108.7436	0.941	147	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.0570	0.000	1	108.7436	0.941	147	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.8370	0.000	1	108.7436	0.941	147	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<2>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.9630	0.000	1	108.7436	0.941	147	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	107.6457	2.627	3	108.7436	0.941	147	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<2>,2|H<1>,2|N<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.0210	0.000	1	108.7436	0.941	147	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<2>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.4680	0.703	3	108.7436	0.941	147	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.5070	1.367	10	108.7436	0.941	147	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.0180	0.024	3	108.7436	0.941	147	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.0260	0.000	1	108.7436	0.941	147	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|O<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.8325	0.016	2	108.7436	0.941	147	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.0192	0.054	4	108.7436	0.941	147	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|O<2>,2|H<1>,2|N<2>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.2170	0.000	1	108.7436	0.941	147	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{2|C<3>,3|C<4>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.1670	0.000	1	108.7436	0.941	147	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.0177	0.111	12	108.7436	0.941	147	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.0205	0.123	14	108.7436	0.941	147	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{5|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.1665	0.054	2	108.7436	0.941	147	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HI)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HI)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.0890	0.000	1	109.0890	0.000	1	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.1870	0.000	1	109.2640	0.006	3	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(H)2{2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.3025	0.062	2	109.2640	0.006	3	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2{1|C<5>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.9070	0.000	1	108.8150	0.597	23	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.7720	0.000	1	108.8150	0.597	23	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2{1|N<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.7608	0.571	4	108.8150	0.597	23	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.6855	0.995	12	108.8150	0.597	23	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.0130	0.000	1	108.8150	0.597	23	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2{2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.9460	0.022	4	108.8150	0.597	23	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HS)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HS)(H)2{1|Br<1>,1|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.0300	0.000	1	109.1223	0.053	3	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HS)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HS)(H)2{2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.3850	0.000	1	109.1223	0.053	3	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HS)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HS)(H)2{2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.9520	0.000	1	109.1223	0.053	3	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]NP)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]NP)(H)2{2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	105.4185	3.163	2	105.4185	10.004	2	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	107.4102	3.126	4	107.9782	6.662	6	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(H)2{1|H<1>,1|S<4>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.8710	0.000	1	107.9782	6.662	6	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.3570	0.000	1	107.9782	6.662	6	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(H)2{1|H<1>,2|C<3>,2|N<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.4160	0.000	1	109.4160	0.000	1	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]RhH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]RhH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.0020	0.000	1	109.0020	0.000	1	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Ru2)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Ru2)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.8555	0.019	4	108.8290	0.004	5	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Ru2)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Ru2)(H)2{1|H<1>,1|P<5>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.7230	0.000	1	108.8290	0.004	5	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]RuP)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]RuP)(H)2{1|Ru<5>,1|H<1>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.1900	0.000	1	109.1900	0.000	1	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SS)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SS)(H)2{1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.0250	0.065	3	109.0250	0.004	3	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SeC)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SeC)(H)2{1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.9280	0.091	3	108.9280	0.008	3	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]H)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]H)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.2670	0.041	2	109.1327	0.055	3	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]H)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]H)(H)2{1|H<1>,5|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.8640	0.000	1	109.1327	0.055	3	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(H)2{1|H<1>,1|O<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.7850	0.000	1	108.7850	0.000	1	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]F)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]F)(H)2{1|H<1>,1|O<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.8470	0.000	1	108.8470	0.000	1	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)2{1|H<1>,5|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	107.1885	0.025	2	108.5433	1.156	6	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)2{1|N<3>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.9620	0.054	2	108.5433	1.156	6	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)2{2|H<1>,5|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.4770	0.000	1	108.5433	1.156	6	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)2{3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.4820	0.000	1	108.5433	1.156	6	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(H)2{1|C<4>,1|H<1>,5|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.9665	0.025	2	108.9665	0.001	2	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(H)2{1|H<1>,1|S<4>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.4520	0.000	1	109.0596	0.055	5	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(H)2{1|H<1>,5|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.9615	0.098	4	109.0596	0.055	5	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(H)2{1|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.2510	0.000	1	109.2510	0.000	1	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(H)2{1|N<2>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.2660	0.000	1	109.2660	0.000	1	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(H)2{1|N<3>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.8430	0.055	2	108.9930	0.069	3	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.2930	0.000	1	108.9930	0.069	3	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.1550	0.038	2	108.9029	0.313	35	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.0748	0.123	5	108.9029	0.313	35	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2{1|H<1>,1|S<4>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.8092	0.531	9	108.9029	0.313	35	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.8756	0.665	19	108.9029	0.313	35	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|Al<4>,1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.2485	0.050	2	108.8504	1.288	103	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|B<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.1650	0.000	1	108.8504	1.288	103	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.6476	1.602	9	108.8504	1.288	103	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|C<4>,1|N<2>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	106.7780	0.000	1	108.8504	1.288	103	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|C<4>,1|S<4>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.2390	0.000	1	108.8504	1.288	103	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,1|N<2>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.9409	0.176	31	108.8504	1.288	103	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	105.6367	4.178	3	108.8504	1.288	103	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,1|P<3>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.4285	5.635	2	108.8504	1.288	103	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,1|S<4>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.0863	0.163	6	108.8504	1.288	103	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.0632	0.173	38	108.8504	1.288	103	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|N<2>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.9090	0.000	1	108.8504	1.288	103	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|Pd<4>,1|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.5250	0.000	1	108.8504	1.288	103	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|Re<5>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.9880	0.000	1	108.8504	1.288	103	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|S<4>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.2452	0.041	4	108.8504	1.288	103	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{4|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	107.9120	0.540	2	108.8504	1.288	103	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5]C)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5]C)(H)2{1|H<1>,1|N<2>,1|O<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.9100	0.000	1	108.9100	0.000	1	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5]H)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5]H)(H)2{1|N<2>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.1540	0.000	1	109.1432	0.012	5	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5]H)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5]H)(H)2{3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.1405	0.129	4	109.1432	0.012	5	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(H)2{1|Ba<10>,1|H<1>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.2558	0.120	8	109.0838	0.014	45	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(H)2{1|Ba<8>,1|H<1>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.0436	0.080	14	109.0838	0.014	45	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.0761	0.077	15	109.0838	0.014	45	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(H)2{1|Mg<5>,1|H<1>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.0705	0.049	2	109.0838	0.014	45	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(H)2{1|Mg<6>,1|H<1>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.9680	0.055	3	109.0838	0.014	45	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(H)2{1|Sr<8>,1|H<1>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.9763	0.076	3	109.0838	0.014	45	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.0499	0.275	8	109.1716	0.056	17	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2{1|N<3>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.0800	0.000	1	109.1716	0.056	17	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2{1|O<2>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.2777	0.098	7	109.1716	0.056	17	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2{3|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.4940	0.000	1	109.1716	0.056	17	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CO)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CO)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.3390	0.000	1	109.3390	0.000	1	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2{1|C<3>,1|N<2>,1|N<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.2250	0.000	1	109.2629	0.014	29	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.3790	0.000	1	109.2629	0.014	29	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2{1|C<3>,1|O<1>,1|O<2>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.2908	0.149	6	109.2629	0.014	29	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.2253	0.042	3	109.2629	0.014	29	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.2649	0.124	12	109.2629	0.014	29	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2{1|N<2>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.2043	0.033	3	109.2629	0.014	29	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2{1|O<2>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.1780	0.119	2	109.2629	0.014	29	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2{3|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.4510	0.000	1	109.2629	0.014	29	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]CH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]CH)(H)2{1|B<4>,1|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.5250	0.000	1	108.5250	0.000	1	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(H)2{1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.2390	0.291	3	108.3053	0.074	4	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(H)2{1|H<1>,1|S<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.5040	0.000	1	108.3053	0.074	4	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.3270	0.000	1	108.3270	0.000	1	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	119.8520	0.000	1	114.0750	66.747	2	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(H)2{1|N<2>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.2980	0.000	1	114.0750	66.747	2	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]CH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]CH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.0120	0.000	1	109.0120	0.000	1	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.1220	0.061	2	108.1220	0.004	2	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]N[5,6a])(C[5]C[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]N[5,6a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.4440	0.000	1	109.4440	0.000	1	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]CC)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]CC)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.1860	0.000	1	109.1860	0.000	1	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH)(H)2{1|B<3>,1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.9570	0.000	1	108.9570	0.000	1	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.0750	0.035	2	109.0781	0.013	11	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.2360	0.020	2	109.0781	0.013	11	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.9460	0.000	1	109.0781	0.013	11	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.0485	0.109	6	109.0781	0.013	11	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]N[6a])(C[5]S[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]S[5]HH)(H)2{2|C<3>,2|O<1>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.3880	0.000	1	108.3880	0.000	1	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]O[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]O[6a])(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.1560	0.000	1	109.1560	0.000	1	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5]CC)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5]CC)(H)2{1|N<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.7890	0.000	1	108.7890	0.000	1	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[6a]O[5]C)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[6a]O[5]C)(H)2{5|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.1030	0.000	1	109.1030	0.000	1	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]CC)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]CC)(H)2{2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.0340	0.000	1	109.0340	0.000	1	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	110.2037	2.437	4	110.2037	5.939	4	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]N[5]H)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]N[5]H)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.2320	0.000	1	109.2320	0.000	1	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5]H)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5]H)(H)2{1|C<4>,1|H<1>,5|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.1850	0.000	1	109.1292	0.002	4	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5]H)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5]H)(H)2{1|H<1>,6|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.0975	0.009	2	109.1292	0.002	4	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5]H)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5]H)(H)2{2|H<1>,5|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.1370	0.000	1	109.1292	0.002	4	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]O[5]H)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]O[5]H)(H)2{5|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	107.9370	0.000	1	107.9370	0.000	1	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]CH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]CH)(H)2{1|O<2>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.1900	0.000	1	109.1950	0.000	2	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]CH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]CH)(H)2{3|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.2000	0.000	1	109.1950	0.000	2	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]HH)(H)2{1|C<3>,2|N<2>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	105.5100	0.000	1	108.0673	4.907	3	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]HH)(H)2{1|N<2>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.3880	0.000	1	108.0673	4.907	3	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]HH)(H)2{1|O<2>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.3040	0.000	1	108.0673	4.907	3	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]S[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]S[5]HH)(H)2{1|C<3>,2|N<2>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	110.8460	0.000	1	109.5925	3.143	2	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]S[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]S[5]HH)(H)2{3|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.3390	0.000	1	109.5925	3.143	2	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,2|N<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	107.9382	1.659	4	108.2548	1.893	6	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|Cl<1>,1|C<3>,1|N<2>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.9540	0.000	1	108.2548	1.893	6	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.8220	0.000	1	108.2548	1.893	6	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]N[5,6a]C[6a])(C[5]O[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]N[5,6a]C[6a])(C[5]O[5]HH)(H)2{3|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.0880	0.000	1	109.0880	0.000	1	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.8660	0.000	1	108.8660	0.000	1	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]N[5a,6a]C[5,6a])(C[5]C[5]HH)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]N[5a,6a]C[5,6a])(C[5]C[5]HH)(H)2{1|N<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.2573	0.037	6	109.2573	0.001	6	108.8479	1.099	1291	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:N[4,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[4,5]B[5,5a]C[4]2)(H)2	H(C[5]C[5,6a]N[4,5]H)	H(C[5]C[5,6a]N[4,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[4,5]B[5,5a]C[4]2)(H)2{1|C<4>,2|C<3>,2|O<2>,5|H<1>}	H(C[5]C[5,6a]N[4,5]H)	H(C[5]C[5,6a]N[4,5]H)	108.9100	0.030	2	108.9100	0.001	2	108.9100	0.001	2	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:N[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]C[5]C)(H)2	H(C[5]C[5,6a]N[5,5]H)	H(C[5]C[5,6a]N[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]C[5]C)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6a]N[5,5]H)	H(C[5]C[5,6a]N[5,5]H)	108.9725	0.069	2	108.9725	0.005	2	109.0210	0.009	3	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:N[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]3)(H)2	H(C[5]C[5,6a]N[5,5]H)	H(C[5]C[5,6a]N[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]3)(H)2{2|C<4>,3|C<3>,6|H<1>}	H(C[5]C[5,6a]N[5,5]H)	H(C[5]C[5,6a]N[5,5]H)	109.1180	0.000	1	109.1180	0.000	1	109.0210	0.009	3	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,5,6a]C[6a])(N[5]Nb[5,5]CC)(H)2	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,5,6a]C[6a])(N[5]Nb[5,5]CC)(H)2{4|Cl<1>,1|H<1>,1|N<4>,2|C<3>}	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	108.3935	0.025	2	108.3935	0.001	2	108.6316	0.264	27	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5,5]CC)(H)2	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5,5]CC)(H)2{1|H<1>,2|C<3>,2|O<2>}	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	108.7370	0.000	1	108.7195	0.001	2	108.6316	0.264	27	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5,5]CC)(H)2	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5,5]CC)(H)2{1|H<1>,4|C<3>}	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	108.7020	0.000	1	108.7195	0.001	2	108.6316	0.264	27	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5,6]CC)(H)2	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5,6]CC)(H)2{1|H<1>,2|C<3>,2|O<2>}	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	108.7960	0.052	5	108.7960	0.003	5	108.6316	0.264	27	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5,6a]CC)(H)2	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5,6a]CC)(H)2{1|H<1>,2|C<3>,2|O<2>}	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	108.8870	0.006	3	108.8870	0.000	3	108.6316	0.264	27	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]CC)(H)2	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]CC)(H)2{2|Cl<1>,1|H<1>,2|C<3>}	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	108.9820	0.000	1	108.9820	0.000	1	108.6316	0.264	27	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]HH)(H)2	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]HH)(H)2{2|C<3>,3|H<1>}	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	108.8990	0.000	1	108.8990	0.000	1	108.6316	0.264	27	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]BC)(H)2	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]BC)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	109.1600	0.000	1	109.0520	0.009	3	108.6316	0.264	27	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]BC)(H)2	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]BC)(H)2{1|Si<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	108.9980	0.018	2	109.0520	0.009	3	108.6316	0.264	27	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(H)2	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	109.5450	0.000	1	109.5450	0.000	1	108.6316	0.264	27	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]RuH)(H)2	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]RuH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	109.0455	0.247	2	109.0455	0.061	2	108.6316	0.264	27	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Ga[5,5]CC)(H)2	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Ga[5,5]CC)(H)2{1|H<1>,4|C<3>}	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	107.8350	0.513	4	107.8350	0.263	4	108.6316	0.264	27	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Ga[5]CC)(H)2	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Ga[5]CC)(H)2{1|H<1>,4|C<3>}	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	108.2550	0.000	1	108.1760	0.012	2	108.6316	0.264	27	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Ga[5]CC)(H)2	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Ga[5]CC)(H)2{2|Cl<1>,1|H<1>,2|C<3>}	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	108.0970	0.000	1	108.1760	0.012	2	108.6316	0.264	27	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]In[5,5]CC)(H)2	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]In[5,5]CC)(H)2{1|H<1>,4|C<3>}	H(C[5]C[5,6a]N[5]H)	H(C[5]C[5,6a]N[5]H)	107.8210	0.000	1	107.8210	0.000	1	108.6316	0.264	27	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:P[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]BC)(H)2	H(C[5]C[5,6a]P[5]H)	H(C[5]C[5,6a]P[5]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]BC)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5,6a]P[5]H)	H(C[5]C[5,6a]P[5]H)	108.6070	0.000	1	108.6070	0.000	1	108.7144	0.033	8	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:P[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C[6a]B)(H)2	H(C[5]C[5,6a]P[5]H)	H(C[5]C[5,6a]P[5]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C[6a]B)(H)2{1|H<1>,5|C<3>}	H(C[5]C[5,6a]P[5]H)	H(C[5]C[5,6a]P[5]H)	108.6715	0.015	2	108.6715	0.000	2	108.7144	0.033	8	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:P[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C[6a]Pt)(H)2	H(C[5]C[5,6a]P[5]H)	H(C[5]C[5,6a]P[5]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C[6a]Pt)(H)2{1|H<1>,5|C<3>}	H(C[5]C[5,6a]P[5]H)	H(C[5]C[5,6a]P[5]H)	108.6450	0.000	1	108.6450	0.000	1	108.7144	0.033	8	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:P[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(P[5]B[5]CC)(H)2	H(C[5]C[5,6a]P[5]H)	H(C[5]C[5,6a]P[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(P[5]B[5]CC)(H)2{1|H<1>,4|C<3>}	H(C[5]C[5,6a]P[5]H)	H(C[5]C[5,6a]P[5]H)	109.1280	0.000	1	108.9685	0.051	2	108.7144	0.033	8	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:P[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(P[5]B[5]CC)(H)2	H(C[5]C[5,6a]P[5]H)	H(C[5]C[5,6a]P[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(P[5]B[5]CC)(H)2{2|Cl<1>,1|H<1>,2|C<3>}	H(C[5]C[5,6a]P[5]H)	H(C[5]C[5,6a]P[5]H)	108.8090	0.000	1	108.9685	0.051	2	108.7144	0.033	8	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:P[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(P[5]C[5]FeC)(H)2	H(C[5]C[5,6a]P[5]H)	H(C[5]C[5,6a]P[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(P[5]C[5]FeC)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]P[5]H)	H(C[5]C[5,6a]P[5]H)	108.5915	0.016	2	108.5915	0.000	2	108.7144	0.033	8	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:S[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5]OO)(H)2	H(C[5]C[5,6a]S[5]H)	H(C[5]C[5,6a]S[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5]OO)(H)2{1|F<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]S[5]H)	H(C[5]C[5,6a]S[5]H)	109.2600	0.000	1	109.0512	0.024	10	109.0512	0.024	10	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:S[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5]OO)(H)2	H(C[5]C[5,6a]S[5]H)	H(C[5]C[5,6a]S[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5]OO)(H)2{2|C<3>,3|H<1>}	H(C[5]C[5,6a]S[5]H)	H(C[5]C[5,6a]S[5]H)	109.0132	0.124	4	109.0512	0.024	10	109.0512	0.024	10	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:S[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5]OO)(H)2	H(C[5]C[5,6a]S[5]H)	H(C[5]C[5,6a]S[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5]OO)(H)2{2|H<1>,3|C<3>}	H(C[5]C[5,6a]S[5]H)	H(C[5]C[5,6a]S[5]H)	109.0398	0.171	5	109.0512	0.024	10	109.0512	0.024	10	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:Si[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]2)(Si[5]C[5]CC)(H)2	H(C[5]C[5,6a]Si[5]H)	H(C[5]C[5,6a]Si[5]H)	C[5](C[5,6a]C[5,6a]2)(Si[5]C[5]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]Si[5]H)	H(C[5]C[5,6a]Si[5]H)	108.9358	0.101	5	108.9358	0.010	5	108.9358	0.010	5	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(H)2{1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7670	0.000	1	108.7670	0.000	1	108.9910	0.100	2	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5,5]C[5]3)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5]C[6a]N[5])(C[5,5]C[5]3)(H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.2150	0.000	1	109.2150	0.000	1	108.9910	0.100	2	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3,5]N[6])(C[5]B[3,5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5]N[6])(C[5]B[3,5]CH)(H)2{1|B<5>,1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7830	0.000	1	108.7830	0.000	1	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[4,5,5]O)(C[5]C[4,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[4,5,5]O)(C[5]C[4,5]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8270	0.036	3	108.8270	0.001	3	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[4,5,6,6]O)(C[5]C[4,5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[4,5,6,6]O)(C[5]C[4,5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6080	0.000	1	108.6080	0.000	1	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[4,5]C)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[4,5]C)(C[5]N[5]HH)(H)2{3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0560	0.000	1	109.0560	0.000	1	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[4,5]C[6a])(C[5]C[4,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[4,5]C[6a])(C[5]C[4,5]HH)(H)2{1|C<4>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5810	0.020	2	108.5810	0.000	2	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[4]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[4]C[5])(C[5]C[5]HH)(H)2{1|N<3>,2|H<1>,2|S<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0305	0.163	2	108.9660	0.026	3	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[4]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[4]C[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8370	0.000	1	108.9660	0.026	3	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]O)(C[5]C[5,5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]O)(C[5]C[5,5]CH)(H)2{1|C<3>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6330	0.000	1	108.6330	0.000	1	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]O)(C[5]C[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]O)(C[5]C[5,5]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7770	0.000	1	108.8865	0.024	2	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]O)(C[5]C[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]O)(C[5]C[5,5]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9960	0.000	1	108.8865	0.024	2	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]O)(C[5]C[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]O)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0220	0.000	1	109.0220	0.000	1	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]O)(C[5]C[5]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7150	0.000	1	108.7150	0.000	1	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C)(C[5]C[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C)(C[5]C[5]CC)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7410	0.000	1	108.7410	0.000	1	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6720	0.069	2	108.6720	0.005	2	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C)(C[5]O[5]HH)(H)2{2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1540	0.000	1	109.1540	0.000	1	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(H)2{4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7680	0.000	1	108.7680	0.000	1	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]O)(C[5]C[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]O)(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8695	0.083	2	108.8695	0.007	2	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]O)(C[5]C[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]O)(C[5]C[5]CH)(H)2{1|H<1>,1|S<2>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6020	0.000	1	108.6020	0.000	1	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]O)(C[5]C[5]CO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]O)(C[5]C[5]CO)(H)2{1|C<4>,1|H<1>,1|N<2>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7170	0.000	1	108.7170	0.000	1	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]O)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0040	0.372	3	108.8850	0.077	6	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]O)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7660	0.109	3	108.8850	0.077	6	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]O)(C[5]O[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]O)(C[5]O[5]CC)(H)2{1|C<3>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7200	0.000	1	108.7200	0.000	1	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]O)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]O)(C[5]O[5]CH)(H)2{2|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9690	0.000	1	108.9690	0.000	1	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5a]C[5])(C[5]C[5,5a]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5a]C[5])(C[5]C[5,5a]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5470	0.000	1	108.5180	0.002	2	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5a]C[5])(C[5]C[5,5a]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5a]C[5])(C[5]C[5,5a]HH)(H)2{1|C<4>,1|S<2>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4890	0.000	1	108.5180	0.002	2	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6,6]O)(C[5]C[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]O)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9260	0.000	1	108.9260	0.000	1	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]C)(C[5]C[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C)(C[5]C[5]CC)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6735	0.059	2	108.6735	0.003	2	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7655	0.002	2	108.8363	0.014	7	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8646	0.131	5	108.8363	0.014	7	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]C[5a])(C[5]C[5,6]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[5a])(C[5]C[5,6]HO)(H)2{2|C<3>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1030	0.000	1	109.1030	0.000	1	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]N)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]N)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7840	0.000	1	108.7840	0.000	1	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]O)(C[5]C[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]O)(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8410	0.114	3	108.7592	0.035	4	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]O)(C[5]C[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]O)(C[5]C[5]CC)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5140	0.000	1	108.7592	0.035	4	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]O)(C[5]C[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]O)(C[5]C[5]CH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5525	0.029	2	108.5525	0.001	2	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7386	0.087	7	108.7315	0.006	11	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]O)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7193	0.063	4	108.7315	0.006	11	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(H)2{1|C<4>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6922	0.100	6	108.6846	0.009	7	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(H)2{2|C<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6390	0.000	1	108.6846	0.009	7	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H)2{4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5410	0.062	4	108.5410	0.004	4	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9000	0.000	1	108.9090	0.010	4	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8485	0.070	2	108.9090	0.010	4	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(H)2{2|B<3>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0390	0.000	1	108.9090	0.010	4	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]N[5])(C[5]C[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5])(C[5]C[5]CC)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2840	0.350	3	109.2840	0.122	3	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0260	0.000	1	108.3742	1.968	6	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9430	0.000	1	108.3742	1.968	6	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.0690	1.705	4	108.3742	1.968	6	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]N[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[6])(C[5]C[5]HH)(H)2{1|B<4>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8140	0.000	1	108.8140	0.000	1	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8610	0.000	1	108.6960	0.054	2	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5310	0.000	1	108.6960	0.054	2	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]S[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]S[5])(C[5]C[5]HH)(H)2{1|Fe<10>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.3900	0.000	1	108.3900	0.000	1	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.1715	1.231	2	108.8945	0.097	31	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|S<2>,4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9770	0.069	2	108.8945	0.097	31	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9540	0.000	1	108.8945	0.097	31	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8440	0.076	2	108.8945	0.097	31	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9427	0.100	23	108.8945	0.097	31	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)2{2|S<2>,4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1090	0.000	1	108.8945	0.097	31	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5a]N[5])(C[5]C[5,6]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]N[5])(C[5]C[5,6]HO)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.4740	0.000	1	109.4740	0.000	1	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5a]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]N[5])(C[5]C[5]HH)(H)2{1|Zn<4>,1|C<3>,1|N<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2860	0.000	1	109.2860	0.000	1	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5a]N[5])(C[5]O[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]N[5])(C[5]O[5]CC)(H)2{1|C<3>,1|S<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1950	0.000	1	109.1950	0.000	1	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5a]N[5])(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]N[5])(C[5]O[5]CH)(H)2{1|C<3>,1|S<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	111.3160	0.000	1	111.3160	0.000	1	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6]N[5])(C[5]C[5]HH)(H)2{1|Rh<6>,1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1530	0.076	2	109.1492	0.033	4	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6]N[5])(C[5]C[5]HH)(H)2{2|C<3>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9310	0.000	1	109.1492	0.033	4	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6]N[5])(C[5]C[5]HH)(H)2{2|H<1>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.3600	0.000	1	109.1492	0.033	4	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9100	0.000	1	108.9527	0.007	3	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(H)2{2|H<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8990	0.000	1	108.9527	0.007	3	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(H)2{4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0490	0.000	1	108.9527	0.007	3	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1040	0.000	1	108.6848	0.592	18	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1060	0.000	1	108.6848	0.592	18	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.1750	0.000	1	108.6848	0.592	18	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0080	0.000	1	108.6848	0.592	18	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9280	0.000	1	108.6848	0.592	18	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,1|S<2>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9290	0.000	1	108.6848	0.592	18	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9015	0.141	4	108.6848	0.592	18	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8660	0.000	1	108.6848	0.592	18	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9870	0.000	1	108.6848	0.592	18	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9810	0.000	1	108.6848	0.592	18	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|C<4>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0750	0.035	2	108.6848	0.592	18	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	106.8300	1.250	2	108.6848	0.592	18	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)2{4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8270	0.000	1	108.6848	0.592	18	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5]C[5,5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5])(C[5]C[5,5]CH)(H)2{4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2110	0.197	3	109.2110	0.039	3	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5]C[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5])(C[5]C[5]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8450	0.000	1	108.9265	0.013	2	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5]C[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5])(C[5]C[5]CC)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0080	0.000	1	108.9265	0.013	2	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5]C[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5])(C[5]C[5]CH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2670	0.000	1	109.0250	0.072	3	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5]C[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5])(C[5]C[5]CH)(H)2{1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7370	0.000	1	109.0250	0.072	3	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5]C[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5])(C[5]C[5]CH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0710	0.000	1	109.0250	0.072	3	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)2{1|C<4>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2398	0.116	8	108.9458	1.032	16	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1725	0.070	2	108.9458	1.032	16	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)2{1|Ir<8>,1|H<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9060	0.000	1	108.9458	1.032	16	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0800	0.000	1	108.9458	1.032	16	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)2{1|Rh<8>,1|H<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2790	0.000	1	108.9458	1.032	16	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1680	0.000	1	108.9458	1.032	16	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)2{2|C<3>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	105.1650	0.000	1	108.9458	1.032	16	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)2{4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2720	0.000	1	108.9458	1.032	16	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5])(C[5]N[5]CC)(H)2{1|S<4>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9750	0.110	3	109.0530	0.018	5	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5])(C[5]N[5]CC)(H)2{3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1700	0.033	2	109.0530	0.018	5	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5])(C[5]N[5]CH)(H)2{1|S<4>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2190	0.040	2	109.1748	0.011	6	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5])(C[5]N[5]CH)(H)2{3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1527	0.125	4	109.1748	0.011	6	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5]N[5]CO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5])(C[5]N[5]CO)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.4650	0.000	1	109.4650	0.000	1	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5])(C[5]N[5]HH)(H)2{3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1255	0.047	2	109.1255	0.002	2	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5]O[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5])(C[5]O[5]CC)(H)2{2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.4690	0.000	1	109.4690	0.000	1	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5])(C[5]O[5]CH)(H)2{2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.3311	0.122	10	109.3311	0.015	10	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5]O[5]CS)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5])(C[5]O[5]CS)(H)2{2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.3030	0.000	1	109.3030	0.000	1	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5]O[5]OP)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5])(C[5]O[5]OP)(H)2{2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.3450	0.000	1	109.3450	0.000	1	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]N[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5]N[6])(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.4230	0.000	1	109.4230	0.000	1	108.8974	0.281	204	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[4,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[4,5]C[4,5]C[4])(C[5]C[5]HH)(H)2	H(C[5]N[4,5]C[5]H)	H(C[5]N[4,5]C[5]H)	C[5](N[4,5]C[4,5]C[4])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]N[4,5]C[5]H)	H(C[5]N[4,5]C[5]H)	109.2630	0.000	1	109.2630	0.000	1	109.2630	0.000	1	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5,6]C[3x5,6]C[5,6,6])(C[5]C[5,5,6]HH)(H)2	H(C[5]N[5,5,6]C[5]H)	H(C[5]N[5,5,6]C[5]H)	C[5](N[5,5,6]C[3x5,6]C[5,6,6])(C[5]C[5,5,6]HH)(H)2{2|H<1>,5|C<4>}	H(C[5]N[5,5,6]C[5]H)	H(C[5]N[5,5,6]C[5]H)	109.0260	0.000	1	109.0260	0.000	1	108.8924	0.044	12	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]C[5,5,6]HH)(H)2	H(C[5]N[5,5,6]C[5]H)	H(C[5]N[5,5,6]C[5]H)	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]C[5,5,6]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5]N[5,5,6]C[5]H)	H(C[5]N[5,5,6]C[5]H)	108.6080	0.000	1	108.6080	0.000	1	108.8924	0.044	12	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]C[5]HH)(H)2	H(C[5]N[5,5,6]C[5]H)	H(C[5]N[5,5,6]C[5]H)	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]N[5,5,6]C[5]H)	H(C[5]N[5,5,6]C[5]H)	109.2800	0.007	2	109.2800	0.000	2	108.8924	0.044	12	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]S[5]HH)(H)2	H(C[5]N[5,5,6]C[5]H)	H(C[5]N[5,5,6]C[5]H)	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]S[5]HH)(H)2{1|O<1>,1|S<2>,2|C<4>}	H(C[5]N[5,5,6]C[5]H)	H(C[5]N[5,5,6]C[5]H)	108.8144	0.068	8	108.8144	0.005	8	108.8924	0.044	12	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[3,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5,6])(C[3,5]C[3,5]N[3]H)(H)2	H(C[5]C[3,5]N[5,5]H)	H(C[5]C[3,5]N[5,5]H)	C[5](N[5,5]C[5,5]C[5,6])(C[3,5]C[3,5]N[3]H)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[3,5]N[5,5]H)	H(C[5]C[3,5]N[5,5]H)	102.1650	0.000	1	101.6435	0.544	2	106.4923	14.216	6	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[3,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5,6])(C[3,5]C[3,5]N[3]H)(H)2	H(C[5]C[3,5]N[5,5]H)	H(C[5]C[3,5]N[5,5]H)	C[5](N[5,5]C[5,5]C[5,6])(C[3,5]C[3,5]N[3]H)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]C[3,5]N[5,5]H)	H(C[5]C[3,5]N[5,5]H)	101.1220	0.000	1	101.6435	0.544	2	106.4923	14.216	6	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[3,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,6a]C[5,5])(C[3,5]C[3,5]N[3]H)(H)2	H(C[5]C[3,5]N[5,5]H)	H(C[5]C[3,5]N[5,5]H)	C[5](N[5,5]C[5,6a]C[5,5])(C[3,5]C[3,5]N[3]H)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[3,5]N[5,5]H)	H(C[5]C[3,5]N[5,5]H)	108.9167	0.041	4	108.9167	0.002	4	106.4923	14.216	6	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5,5]C[5]3)(H)2	H(C[5]C[5,5]N[5,5]H)	H(C[5]C[5,5]N[5,5]H)	C[5](N[5,5]C[5,5]C[5])(C[5,5]C[5]3)(H)2{2|C<3>,2|N<3>,7|H<1>}	H(C[5]C[5,5]N[5,5]H)	H(C[5]C[5,5]N[5,5]H)	109.5380	0.000	1	109.5380	0.000	1	109.3415	0.077	2	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,6a]C[5,5])(C[5,5]C[5]N[5]2)(H)2	H(C[5]C[5,5]N[5,5]H)	H(C[5]C[5,5]N[5,5]H)	C[5](N[5,5]C[5,6a]C[5,5])(C[5,5]C[5]N[5]2)(H)2{1|N<3>,3|C<4>,4|C<3>}	H(C[5]C[5,5]N[5,5]H)	H(C[5]C[5,5]N[5,5]H)	109.1450	0.000	1	109.1450	0.000	1	109.3415	0.077	2	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5,6]O[5])(C[5,6]C[5,6]O[6]H)(H)2	H(C[5]C[5,6]N[5,5]H)	H(C[5]C[5,6]N[5,5]H)	C[5](N[5,5]C[5,5,6]O[5])(C[5,6]C[5,6]O[6]H)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,6]N[5,5]H)	H(C[5]C[5,6]N[5,5]H)	108.6150	0.037	4	108.6150	0.001	4	108.6150	0.001	4	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[3x5,6]C[5])(C[5]C[5,5,6]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[3x5,6]C[5])(C[5]C[5,5,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	107.9590	0.000	1	107.9590	0.000	1	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[3x5,6]S[5])(C[5]O[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[3x5,6]S[5])(C[5]O[5]HH)(H)2{1|C<3>,2|C<4>,2|O<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	105.8870	0.000	1	106.4680	0.675	2	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[3x5,6]S[5])(C[5]O[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[3x5,6]S[5])(C[5]O[5]HH)(H)2{2|O<1>,3|C<4>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	107.0490	0.000	1	106.4680	0.675	2	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[3x5]C[5,5])(C[5]C[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[3x5]C[5,5])(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.0650	0.000	1	109.0650	0.000	1	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[3x5]C[5,5])(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[3x5]C[5,5])(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.0597	0.248	7	109.0597	0.062	7	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[3x5]C[5,5])(C[5]S[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[3x5]C[5,5])(C[5]S[5]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.3230	0.025	2	108.3230	0.001	2	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[3x5]C[5])(C[5]C[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[3x5]C[5])(C[5]C[5,5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.2010	4.081	6	108.2010	16.651	6	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[3x5]C[5])(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[3x5]C[5])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.0190	0.000	1	109.0190	0.000	1	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[3x5]C[5])(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[3x5]C[5])(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.9850	0.000	1	109.5489	10.677	7	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[3x5]C[5])(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[3x5]C[5])(C[5]N[5,5]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.6428	3.569	6	109.5489	10.677	7	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5,6,6]C[5])(C[5]C[5,5,6,6]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5,6,6]C[5])(C[5]C[5,5,6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.1390	0.000	1	109.1390	0.000	1	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5,6,6]S[5])(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5,6,6]S[5])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.9700	0.008	2	108.9450	0.002	3	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5,6,6]S[5])(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5,6,6]S[5])(C[5]C[5]HH)(H)2{2|H<1>,2|O<1>,3|C<4>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.8950	0.000	1	108.9450	0.002	3	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5,6]C[5,6])(C[5]C[5,5,6]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5,6]C[5,6])(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.8160	0.069	2	108.8160	0.005	2	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.1500	0.000	1	108.9355	0.039	8	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.9100	0.000	1	108.9355	0.039	8	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.9128	0.234	5	108.9355	0.039	8	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.8600	0.000	1	108.9355	0.039	8	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.0090	0.000	1	109.0865	0.012	2	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.1640	0.000	1	109.0865	0.012	2	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[6a]2C[5])(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[6a]2C[5])(H)2{1|N<2>,2|C<4>,2|H<1>,5|C<3>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.7840	0.000	1	108.7840	0.000	1	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5,6]O[5])(C[5]C[5,6]CH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5,6]O[5])(C[5]C[5,6]CH)(H)2{1|H<1>,1|S<2>,3|C<4>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.5030	0.000	1	108.5030	0.000	1	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	116.9620	0.000	1	109.1423	1.193	68	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.0120	0.000	1	109.1423	1.193	68	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.1690	0.000	1	109.1423	1.193	68	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.0423	0.538	61	109.1423	1.193	68	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{3|H<1>,4|C<3>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.7390	0.248	4	109.1423	1.193	68	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]2)(C[5]C[5]HO)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HO)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.7510	0.000	1	108.7510	0.000	1	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]2)(C[5]N[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]2)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	107.7495	2.333	2	107.7495	5.442	2	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5,6])(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5,6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	110.1868	2.524	4	110.1868	6.373	4	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5,6])(C[5]N[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5,6])(C[5]N[5]HH)(H)2{1|H<1>,1|N<2>,1|O<2>,2|C<4>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	111.6030	0.000	2	111.6030	0.000	2	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]B[5]CH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]B[5]CH)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.8407	0.102	3	108.8407	0.010	3	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CC)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CC)(H)2{1|C<4>,1|N<2>,1|O<2>,3|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.7990	0.000	1	108.7985	0.000	2	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CC)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CC)(H)2{1|O<1>,2|H<1>,3|C<3>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.7980	0.000	1	108.7985	0.000	2	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.9980	0.000	1	108.9980	0.000	1	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	107.0740	0.000	1	108.9409	1.230	63	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.5000	0.000	1	108.9409	1.230	63	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.0890	0.000	1	108.9409	1.230	63	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.1610	0.000	1	108.9409	1.230	63	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	106.5237	4.032	3	108.9409	1.230	63	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.2010	0.000	1	108.9409	1.230	63	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.0705	0.062	6	108.9409	1.230	63	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.5480	0.000	1	108.9409	1.230	63	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.7008	0.253	6	108.9409	1.230	63	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.1680	0.048	2	108.9409	1.230	63	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.1320	0.000	1	108.9409	1.230	63	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.2180	0.000	1	108.9409	1.230	63	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.4850	0.168	3	108.9409	1.230	63	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.0590	0.052	2	108.9409	1.230	63	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.8530	0.000	1	108.9409	1.230	63	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|F<1>,1|N<2>,1|N<3>,2|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.4200	0.062	2	108.9409	1.230	63	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,3|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.3477	0.132	3	108.9409	1.230	63	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|N<2>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.9390	0.000	1	108.9409	1.230	63	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.0700	0.000	1	108.9409	1.230	63	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,3|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.1050	0.000	1	108.9409	1.230	63	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.8655	0.786	8	108.9409	1.230	63	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,3|C<3>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.8990	0.061	2	108.9409	1.230	63	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	107.6080	0.000	1	108.9409	1.230	63	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,4|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.5890	0.000	1	108.9409	1.230	63	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	110.5955	0.479	4	108.9409	1.230	63	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|Se<1>,1|N<2>,1|N<3>,2|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.3070	0.000	1	108.9409	1.230	63	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.6590	0.267	5	108.9409	1.230	63	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.7460	0.058	2	108.9409	1.230	63	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.0723	0.156	3	109.1476	0.149	11	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.9310	0.000	1	109.1476	0.149	11	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.1880	0.000	1	109.1476	0.149	11	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.1510	0.177	2	109.1476	0.149	11	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2{1|O<1>,2|C<4>,3|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.1530	0.130	2	109.1476	0.149	11	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	110.1320	0.000	1	109.1476	0.149	11	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.5480	0.000	1	109.1476	0.149	11	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]2C[5])(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]2C[5])(H)2{1|C<4>,1|N<2>,3|H<1>,5|C<3>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.8705	0.088	2	109.0175	0.023	6	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]2C[5])(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]2C[5])(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.0750	0.000	1	109.0175	0.023	6	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]2C[5])(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]2C[5])(H)2{1|C<4>,1|N<3>,3|H<1>,5|C<3>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.2540	0.000	1	109.0175	0.023	6	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]2C[5])(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]2C[5])(H)2{1|C<4>,1|N<3>,4|C<3>,4|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.9630	0.000	1	109.0175	0.023	6	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]2C[5])(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]2C[5])(H)2{1|O<1>,2|C<4>,3|H<1>,4|C<3>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.0720	0.000	1	109.0175	0.023	6	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]N[5]H)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]N[5]H)(H)2{1|C<4>,1|S<2>,2|C<3>,3|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.3060	0.000	1	109.3060	0.000	1	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]CH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]CH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.2322	0.205	4	109.2322	0.042	4	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|C<2>,1|C<4>,1|S<2>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	110.8080	0.000	1	109.3538	0.108	32	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.3100	0.000	1	109.3538	0.108	32	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|C<3>,1|N<2>,1|S<1>,1|S<2>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.7770	0.000	1	109.3538	0.108	32	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.4075	0.067	2	109.3538	0.108	32	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.1370	0.000	1	109.3538	0.108	32	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|N<2>,1|S<1>,1|S<2>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.9020	0.000	2	109.3538	0.108	32	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.2430	0.000	1	109.3538	0.108	32	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|N<2>,3|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.2843	0.056	4	109.3538	0.108	32	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.4376	0.132	5	109.3538	0.108	32	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>,1|S<2>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.4423	0.053	4	109.3538	0.108	32	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|Ge<4>,1|N<3>,2|C<4>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.2400	0.000	1	109.3538	0.108	32	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.2130	0.000	1	109.3538	0.108	32	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|N<2>,2|C<4>,2|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.3520	0.034	2	109.3538	0.108	32	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|S<1>,1|S<2>,2|C<3>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.1615	0.100	2	109.3538	0.108	32	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|Zn<4>,1|C<4>,1|N<3>,2|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.2130	0.267	4	109.3538	0.108	32	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.3040	0.000	1	109.2583	0.010	3	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(H)2{1|C<6>,1|O<1>,2|C<3>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.1460	0.000	1	109.2583	0.010	3	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(H)2{1|N<2>,1|O<2>,2|C<3>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.3250	0.000	1	109.2583	0.010	3	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	110.9590	0.000	1	110.9590	0.000	1	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]O[5])(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]O[5])(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.3410	0.000	1	109.3750	1.346	3	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]O[5])(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]O[5])(C[5]C[5]HH)(H)2{2|C<4>,3|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.3920	1.640	2	109.3750	1.346	3	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]O[5])(C[5]C[5]HO)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]O[5])(C[5]C[5]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.4550	0.066	2	108.4550	0.004	2	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.4400	0.000	1	108.3045	10.032	27	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.8595	0.076	2	108.3045	10.032	27	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2{1|C<4>,1|N<2>,2|N<3>,3|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	92.5243	0.000	1	108.3045	10.032	27	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|N<3>,3|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.4883	0.381	3	108.3045	10.032	27	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2{1|Cu<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.6310	0.000	1	108.3045	10.032	27	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.0750	0.000	1	108.3045	10.032	27	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2{1|Ni<4>,1|C<4>,2|O<2>,3|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.5710	0.000	1	108.3045	10.032	27	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2{1|Pd<4>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.8330	0.153	4	108.3045	10.032	27	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2{1|Pd<4>,1|C<4>,2|O<2>,3|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.7681	0.102	8	108.3045	10.032	27	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2{1|Pd<4>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.7613	0.059	3	108.3045	10.032	27	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2{1|Rh<5>,1|C<3>,1|N<3>,1|O<2>,3|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.0170	0.096	2	108.3045	10.032	27	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]S[5])(C[5]C[5]CC)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]S[5])(C[5]C[5]CC)(H)2{1|C<4>,1|N<3>,2|O<1>,3|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.1960	0.000	1	109.1960	0.000	1	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]S[5])(C[5]C[5]CH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]S[5])(C[5]C[5]CH)(H)2{1|C<4>,2|O<1>,3|C<3>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.8860	0.011	2	108.8860	0.000	2	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]S[5])(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]S[5])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|O<1>,3|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.0250	0.000	1	109.0250	0.000	1	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]S[5])(C[5]C[6a]2C[5])(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]S[5])(C[5]C[6a]2C[5])(H)2{1|C<4>,1|N<3>,2|O<1>,3|H<1>,4|C<3>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.0375	0.479	2	109.0375	0.229	2	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]Se[5])(C[5]O[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]Se[5])(C[5]O[5]HH)(H)2{2|C<3>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.5030	0.308	3	109.5030	0.095	3	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,6a]C[3x5])(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,6a]C[3x5])(C[5]N[5,5]HH)(H)2{1|C<4>,1|O<2>,3|C<3>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.9550	0.000	1	108.9550	0.000	1	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]CH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]CH)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.3190	0.000	1	109.3190	0.000	1	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,3|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	107.7520	0.000	1	108.3392	0.185	4	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.5350	0.220	3	108.3392	0.185	4	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,6a]C[5,5])(C[5]O[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]O[5]HH)(H)2{1|C<4>,3|C<3>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.9910	0.051	3	108.9910	0.003	3	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,6a]N[5,5])(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,6a]N[5,5])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.3805	0.032	2	109.3805	0.001	2	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,6a]P[5,5])(C[5]N[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,6a]P[5,5])(C[5]N[5]HH)(H)2{1|P<4>,3|C<3>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.8250	0.000	1	109.8250	0.000	1	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]Ga[5x5]C[5])(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]Ga[5x5]C[5])(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,2|N<3>,2|O<2>,3|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.4140	0.000	1	108.4140	0.000	1	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]CH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]CH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.8880	1.056	3	109.8880	1.115	3	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.5420	0.000	1	108.9488	0.093	20	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.8792	0.302	12	108.9488	0.093	20	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.0858	0.287	4	108.9488	0.093	20	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,3|C<3>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.0760	0.000	1	108.9488	0.093	20	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|Pd<4>,2|C<3>,2|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.2320	0.195	2	108.9488	0.093	20	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HS)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HS)(H)2{1|C<3>,1|N<2>,3|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.2213	0.048	3	109.2213	0.002	3	109.0112	2.066	329	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5a]-3:C[3,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[3,5]C[3,5]C[3]H)(H)2	H(C[5]N[5,5a]C[3,5]H)	H(C[5]N[5,5a]C[3,5]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[3,5]C[3,5]C[3]H)(H)2{2|H<1>,4|C<3>}	H(C[5]N[5,5a]C[3,5]H)	H(C[5]N[5,5a]C[3,5]H)	99.5819	0.000	1	99.5819	0.000	1	99.5819	0.000	1	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5,5a]C[5a])(C[5,5]C[5,5]C[5]C)(H)2	H(C[5]N[5,5a]C[5,5]H)	H(C[5]N[5,5a]C[5,5]H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5,5]C[5,5]C[5]C)(H)2{1|N<3>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]N[5,5a]C[5,5]H)	H(C[5]N[5,5a]C[5,5]H)	112.0510	0.000	1	112.0510	0.000	1	109.8295	2.246	4	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5,5a]C[5a])(C[5,5]C[5,5]C[5]H)(H)2	H(C[5]N[5,5a]C[5,5]H)	H(C[5]N[5,5a]C[5,5]H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5,5]C[5,5]C[5]H)(H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5]N[5,5a]C[5,5]H)	H(C[5]N[5,5a]C[5,5]H)	108.9060	0.000	1	108.9060	0.000	1	109.8295	2.246	4	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]C)(H)2	H(C[5]N[5,5a]C[5,5]H)	H(C[5]N[5,5a]C[5,5]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]C)(H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[5]N[5,5a]C[5,5]H)	H(C[5]N[5,5a]C[5,5]H)	108.9490	0.000	1	108.9490	0.000	1	109.8295	2.246	4	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]H)(H)2	H(C[5]N[5,5a]C[5,5]H)	H(C[5]N[5,5a]C[5,5]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]H)(H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	H(C[5]N[5,5a]C[5,5]H)	H(C[5]N[5,5a]C[5,5]H)	109.4120	0.000	1	109.4120	0.000	1	109.8295	2.246	4	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5,5a]C[5a])(C[5,6]C[5,6]C[6]H)(H)2	H(C[5]N[5,5a]C[5,6]H)	H(C[5]N[5,5a]C[5,6]H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5,6]C[5,6]C[6]H)(H)2{1|O<2>,2|H<1>,4|C<3>}	H(C[5]N[5,5a]C[5,6]H)	H(C[5]N[5,5a]C[5,6]H)	109.3320	0.000	1	109.3320	0.000	1	109.4180	0.012	7	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(H)2	H(C[5]N[5,5a]C[5,6]H)	H(C[5]N[5,5a]C[5,6]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(H)2{1|H<1>,1|N<3>,2|C<4>,4|C<3>}	H(C[5]N[5,5a]C[5,6]H)	H(C[5]N[5,5a]C[5,6]H)	109.4040	0.101	5	109.4323	0.013	6	109.4180	0.012	7	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(H)2	H(C[5]N[5,5a]C[5,6]H)	H(C[5]N[5,5a]C[5,6]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(H)2{2|H<1>,3|C<3>,3|C<4>}	H(C[5]N[5,5a]C[5,6]H)	H(C[5]N[5,5a]C[5,6]H)	109.5740	0.000	1	109.4323	0.013	6	109.4180	0.012	7	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5,5a,6a]C[5,5a])(C[5]C[5,6a]HH)(H)2	H(C[5]N[5,5a]C[5]H)	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5,5a,6a]C[5,5a])(C[5]C[5,6a]HH)(H)2{1|C<4>,3|C<3>}	H(C[5]N[5,5a]C[5]H)	H(C[5]N[5,5a]C[5]H)	109.0540	0.000	2	109.0540	0.000	2	109.3084	0.239	57	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5,5a,6a]C[5a,6])(C[5]C[5,6a]HH)(H)2	H(C[5]N[5,5a]C[5]H)	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5,5a,6a]C[5a,6])(C[5]C[5,6a]HH)(H)2{1|C<4>,3|C<3>}	H(C[5]N[5,5a]C[5]H)	H(C[5]N[5,5a]C[5]H)	109.0530	0.000	2	109.0530	0.000	2	109.3084	0.239	57	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]CC)(H)2	H(C[5]N[5,5a]C[5]H)	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]CC)(H)2{1|H<1>,1|O<1>,2|C<3>}	H(C[5]N[5,5a]C[5]H)	H(C[5]N[5,5a]C[5]H)	109.0296	0.028	5	109.0508	0.003	6	109.3084	0.239	57	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]CC)(H)2	H(C[5]N[5,5a]C[5]H)	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]CC)(H)2{2|C<3>,3|H<1>}	H(C[5]N[5,5a]C[5]H)	H(C[5]N[5,5a]C[5]H)	109.1570	0.000	1	109.0508	0.003	6	109.3084	0.239	57	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(H)2	H(C[5]N[5,5a]C[5]H)	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]N[5,5a]C[5]H)	H(C[5]N[5,5a]C[5]H)	109.4330	0.000	1	109.4330	0.000	1	109.3084	0.239	57	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2	H(C[5]N[5,5a]C[5]H)	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]N[5,5a]C[5]H)	H(C[5]N[5,5a]C[5]H)	109.2965	0.009	2	109.1888	0.006	10	109.3084	0.239	57	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2	H(C[5]N[5,5a]C[5]H)	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<3>}	H(C[5]N[5,5a]C[5]H)	H(C[5]N[5,5a]C[5]H)	109.1750	0.040	2	109.1888	0.006	10	109.3084	0.239	57	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2	H(C[5]N[5,5a]C[5]H)	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2{1|O<1>,3|C<3>}	H(C[5]N[5,5a]C[5]H)	H(C[5]N[5,5a]C[5]H)	109.1810	0.000	1	109.1888	0.006	10	109.3084	0.239	57	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2	H(C[5]N[5,5a]C[5]H)	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2{2|C<3>,3|H<1>}	H(C[5]N[5,5a]C[5]H)	H(C[5]N[5,5a]C[5]H)	109.1350	0.000	1	109.1888	0.006	10	109.3084	0.239	57	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2	H(C[5]N[5,5a]C[5]H)	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	H(C[5]N[5,5a]C[5]H)	H(C[5]N[5,5a]C[5]H)	109.1572	0.086	4	109.1888	0.006	10	109.3084	0.239	57	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5,5a]C[5a])(C[5]N[5]HH)(H)2	H(C[5]N[5,5a]C[5]H)	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]N[5]HH)(H)2{1|B<4>,1|N<3>,2|C<4>}	H(C[5]N[5,5a]C[5]H)	H(C[5]N[5,5a]C[5]H)	109.3930	0.000	1	109.3313	0.008	3	109.3084	0.239	57	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5,5a]C[5a])(C[5]N[5]HH)(H)2	H(C[5]N[5,5a]C[5]H)	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]N[5]HH)(H)2{1|Ge<3>,1|N<3>,2|C<4>}	H(C[5]N[5,5a]C[5]H)	H(C[5]N[5,5a]C[5]H)	109.3005	0.097	2	109.3313	0.008	3	109.3084	0.239	57	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5,5a]C[5a])(C[5]O[5]CH)(H)2	H(C[5]N[5,5a]C[5]H)	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]O[5]CH)(H)2{1|N<2>,2|C<3>}	H(C[5]N[5,5a]C[5]H)	H(C[5]N[5,5a]C[5]H)	109.5080	0.000	1	109.5080	0.000	1	109.3084	0.239	57	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5,5a]C[5a])(C[5]S[5]HH)(H)2	H(C[5]N[5,5a]C[5]H)	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]S[5]HH)(H)2{1|N<2>,2|C<3>}	H(C[5]N[5,5a]C[5]H)	H(C[5]N[5,5a]C[5]H)	108.8890	0.000	1	108.8890	0.000	1	109.3084	0.239	57	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5,5a]N[5a])(C[5]C[5]CH)(H)2	H(C[5]N[5,5a]C[5]H)	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5,5a]N[5a])(C[5]C[5]CH)(H)2{1|C<3>,1|N<2>,2|H<1>}	H(C[5]N[5,5a]C[5]H)	H(C[5]N[5,5a]C[5]H)	109.3520	0.000	1	109.3520	0.000	1	109.3084	0.239	57	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(H)2	H(C[5]N[5,5a]C[5]H)	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(H)2{1|N<2>,2|C<3>}	H(C[5]N[5,5a]C[5]H)	H(C[5]N[5,5a]C[5]H)	109.3550	0.000	1	109.3651	0.005	17	109.3084	0.239	57	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(H)2	H(C[5]N[5,5a]C[5]H)	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	H(C[5]N[5,5a]C[5]H)	H(C[5]N[5,5a]C[5]H)	109.3775	0.060	15	109.3651	0.005	17	109.3084	0.239	57	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(H)2	H(C[5]N[5,5a]C[5]H)	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(H)2{3|C<3>}	H(C[5]N[5,5a]C[5]H)	H(C[5]N[5,5a]C[5]H)	109.1880	0.000	1	109.3651	0.005	17	109.3084	0.239	57	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5,5a]N[5a])(C[5]N[5]HH)(H)2	H(C[5]N[5,5a]C[5]H)	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5,5a]N[5a])(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>}	H(C[5]N[5,5a]C[5]H)	H(C[5]N[5,5a]C[5]H)	109.3855	0.101	2	110.1527	1.991	4	109.3084	0.239	57	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5,5a]N[5a])(C[5]N[5]HH)(H)2	H(C[5]N[5,5a]C[5]H)	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5,5a]N[5a])(C[5]N[5]HH)(H)2{1|H<1>,2|N<2>}	H(C[5]N[5,5a]C[5]H)	H(C[5]N[5,5a]C[5]H)	109.5770	0.000	1	110.1527	1.991	4	109.3084	0.239	57	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5,5a]N[5a])(C[5]N[5]HH)(H)2	H(C[5]N[5,5a]C[5]H)	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5,5a]N[5a])(C[5]N[5]HH)(H)2{3|N<2>}	H(C[5]N[5,5a]C[5]H)	H(C[5]N[5,5a]C[5]H)	112.2630	0.000	1	110.1527	1.991	4	109.3084	0.239	57	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]CH)(H)2	H(C[5]N[5,5a]C[5]H)	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]CH)(H)2{1|H<1>,4|C<3>}	H(C[5]N[5,5a]C[5]H)	H(C[5]N[5,5a]C[5]H)	109.1910	0.000	1	109.1910	0.000	1	109.3084	0.239	57	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(H)2	H(C[5]N[5,5a]C[5]H)	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[5]N[5,5a]C[5]H)	H(C[5]N[5,5a]C[5]H)	109.3860	0.000	1	109.2440	0.016	4	109.3084	0.239	57	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(H)2	H(C[5]N[5,5a]C[5]H)	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	H(C[5]N[5,5a]C[5]H)	H(C[5]N[5,5a]C[5]H)	109.1967	0.106	3	109.2440	0.016	4	109.3084	0.239	57	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HO)(H)2	H(C[5]N[5,5a]C[5]H)	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HO)(H)2{1|H<1>,1|N<2>,3|C<3>}	H(C[5]N[5,5a]C[5]H)	H(C[5]N[5,5a]C[5]H)	109.2050	0.000	1	109.2050	0.000	1	109.3084	0.239	57	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]S[5]HH)(H)2	H(C[5]N[5,5a]C[5]H)	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]S[5]HH)(H)2{1|N<2>,2|C<3>}	H(C[5]N[5,5a]C[5]H)	H(C[5]N[5,5a]C[5]H)	109.3565	1.776	2	109.3565	3.153	2	109.3084	0.239	57	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5a]N[5,5a]C[5a])(C[5]C[5]CC)(H)2	H(C[5]N[5,5a]C[5]H)	H(C[5]N[5,5a]C[5]H)	C[5](N[5,5a]N[5,5a]C[5a])(C[5]C[5]CC)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[5]N[5,5a]C[5]H)	H(C[5]N[5,5a]C[5]H)	109.0910	0.000	1	109.0910	0.000	1	109.3084	0.239	57	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,5a]-3:S[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5a]C[5,5a]N[5a])(S[5]C[5]OO)(H)2	H(C[5]N[5,5a]S[5]H)	H(C[5]N[5,5a]S[5]H)	C[5](N[5,5a]C[5,5a]N[5a])(S[5]C[5]OO)(H)2{2|C<3>,2|H<1>}	H(C[5]N[5,5a]S[5]H)	H(C[5]N[5,5a]S[5]H)	109.5420	0.000	1	109.5420	0.000	1	109.5420	0.000	1	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6,6]-3:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6,6]C[5,3x6]C[3x6])(C[5,6]C[5,3x6]C[6]C)(H)2	H(C[5]N[5,6,6]C[5,6]H)	H(C[5]N[5,6,6]C[5,6]H)	C[5](N[5,6,6]C[5,3x6]C[3x6])(C[5,6]C[5,3x6]C[6]C)(H)2{5|C<4>,5|H<1>}	H(C[5]N[5,6,6]C[5,6]H)	H(C[5]N[5,6,6]C[5,6]H)	112.6690	0.000	1	112.6690	0.000	1	112.6690	0.000	1	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HH)(H)2	H(C[5]N[5,6,6]C[5]H)	H(C[5]N[5,6,6]C[5]H)	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]N[5,6,6]C[5]H)	H(C[5]N[5,6,6]C[5]H)	109.2599	0.201	8	109.2595	0.059	11	109.2256	0.056	13	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HH)(H)2	H(C[5]N[5,6,6]C[5]H)	H(C[5]N[5,6,6]C[5]H)	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]N[5,6,6]C[5]H)	H(C[5]N[5,6,6]C[5]H)	109.0140	0.000	1	109.2595	0.059	11	109.2256	0.056	13	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HH)(H)2	H(C[5]N[5,6,6]C[5]H)	H(C[5]N[5,6,6]C[5]H)	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]N[5,6,6]C[5]H)	H(C[5]N[5,6,6]C[5]H)	109.0500	0.000	1	109.2595	0.059	11	109.2256	0.056	13	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HH)(H)2	H(C[5]N[5,6,6]C[5]H)	H(C[5]N[5,6,6]C[5]H)	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]N[5,6,6]C[5]H)	H(C[5]N[5,6,6]C[5]H)	109.7120	0.000	1	109.2595	0.059	11	109.2256	0.056	13	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HO)(H)2	H(C[5]N[5,6,6]C[5]H)	H(C[5]N[5,6,6]C[5]H)	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	H(C[5]N[5,6,6]C[5]H)	H(C[5]N[5,6,6]C[5]H)	109.0420	0.000	1	109.0420	0.000	1	109.2256	0.056	13	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6,6]C[5,5,3x6]C[6,6])(C[5]C[5,5]HH)(H)2	H(C[5]N[5,6,6]C[5]H)	H(C[5]N[5,6,6]C[5]H)	C[5](N[5,6,6]C[5,5,3x6]C[6,6])(C[5]C[5,5]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|O<1>}	H(C[5]N[5,6,6]C[5]H)	H(C[5]N[5,6,6]C[5]H)	109.0360	0.000	1	109.0360	0.000	1	109.2256	0.056	13	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,5,6]C[6])(C[5,5]C[5,5]C[5]C)(H)2	H(C[5]C[5,5]N[5,6]H)	H(C[5]C[5,5]N[5,6]H)	C[5](N[5,6]C[5,5,6]C[6])(C[5,5]C[5,5]C[5]C)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[5]C[5,5]N[5,6]H)	H(C[5]C[5,5]N[5,6]H)	108.8530	0.000	1	108.8530	0.000	1	109.0600	0.024	5	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5,5]C[5]2N[5])(H)2	H(C[5]C[5,5]N[5,6]H)	H(C[5]C[5,5]N[5,6]H)	C[5](N[5,6]C[5,6]C[6])(C[5,5]C[5]2N[5])(H)2{1|N<3>,2|C<3>,2|C<4>,2|O<1>,3|H<1>}	H(C[5]C[5,5]N[5,6]H)	H(C[5]C[5,5]N[5,6]H)	109.1118	0.119	4	109.1118	0.014	4	109.0600	0.024	5	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,5,6]C[6])(C[5,6]C[5,6]C[6]H)(H)2	H(C[5]C[5,6]N[5,6]H)	H(C[5]C[5,6]N[5,6]H)	C[5](N[5,6]C[5,5,6]C[6])(C[5,6]C[5,6]C[6]H)(H)2{1|N<2>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]N[5,6]H)	H(C[5]C[5,6]N[5,6]H)	109.0450	0.000	2	109.0450	0.000	2	108.9135	0.089	6	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6,6])(C[5,6]O[5,6]C[6]H)(H)2	H(C[5]C[5,6]N[5,6]H)	H(C[5]C[5,6]N[5,6]H)	C[5](N[5,6]C[5,6,6]C[6,6])(C[5,6]O[5,6]C[6]H)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,6]N[5,6]H)	H(C[5]C[5,6]N[5,6]H)	109.3390	0.000	1	109.3390	0.000	1	108.9135	0.089	6	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5,6]C[5,6]C[6]H)(H)2	H(C[5]C[5,6]N[5,6]H)	H(C[5]C[5,6]N[5,6]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,3|C<3>,6|H<1>}	H(C[5]C[5,6]N[5,6]H)	H(C[5]C[5,6]N[5,6]H)	108.4780	0.000	1	108.4780	0.000	1	108.9135	0.089	6	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5,6]C[5,6]O[6]H)(H)2	H(C[5]C[5,6]N[5,6]H)	H(C[5]C[5,6]N[5,6]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5,6]C[5,6]O[6]H)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5,6]N[5,6]H)	H(C[5]C[5,6]N[5,6]H)	108.7220	0.000	1	108.7220	0.000	1	108.9135	0.089	6	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]S[6])(C[5,6]C[5]C[6]2)(H)2	H(C[5]C[5,6]N[5,6]H)	H(C[5]C[5,6]N[5,6]H)	C[5](N[5,6]C[5,6]S[6])(C[5,6]C[5]C[6]2)(H)2{1|C<3>,2|O<1>,3|C<4>,7|H<1>}	H(C[5]C[5,6]N[5,6]H)	H(C[5]C[5,6]N[5,6]H)	108.8520	0.000	1	108.8520	0.000	1	108.9135	0.089	6	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[3x5,6,6]C[6])(C[5]C[3x5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[3x5,6,6]C[6])(C[5]C[3x5,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.9424	0.031	7	108.9234	0.002	10	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[3x5,6,6]C[6])(C[5]C[3x5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[3x5,6,6]C[6])(C[5]C[3x5,6]HH)(H)2{1|C<3>,1|O<2>,1|S<1>,3|C<4>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.8790	0.042	3	108.9234	0.002	10	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[3x5,6]C[6])(C[5]C[5,5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[3x5,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.0720	0.000	1	109.0720	0.000	1	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[4,5,6]C[6])(C[5]O[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[4,5,6]C[6])(C[5]O[5]HH)(H)2{1|C<4>,3|C<3>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.9530	0.979	3	109.9530	0.958	3	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,3x6]C[5,6])(C[5]C[5,5,6,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,3x6]C[5,6])(C[5]C[5,5,6,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.2090	0.000	1	109.2090	0.000	1	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,3x6]C[6])(C[5]C[5,5,6,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,3x6]C[6])(C[5]C[5,5,6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.7900	0.000	1	108.7900	0.000	1	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,3x6]C[6])(C[5]C[5,6]ClH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,3x6]C[6])(C[5]C[5,6]ClH)(H)2{1|Cl<1>,1|C<3>,1|O<1>,3|C<4>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.3750	0.000	1	109.3750	0.000	1	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,3x6]C[6])(C[5]C[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,3x6]C[6])(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.8120	0.000	1	109.0650	0.055	3	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,3x6]C[6])(C[5]C[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,3x6]C[6])(C[5]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.1060	0.000	1	109.0650	0.055	3	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,3x6]C[6])(C[5]C[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,3x6]C[6])(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.2770	0.000	1	109.0650	0.055	3	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.8510	0.000	1	109.5195	0.894	2	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	110.1880	0.000	1	109.5195	0.894	2	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[5,5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[5,5]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.2205	0.463	2	109.2205	0.215	2	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,5,6]C[6,6])(C[5]C[5,5]CH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,5,6]C[6,6])(C[5]C[5,5]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.1180	0.005	3	109.1180	0.000	3	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[3,5,5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[3,5,5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.9520	0.000	1	108.9520	0.000	1	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.4610	0.023	2	109.4610	0.001	2	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5]CH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5]CH)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.9050	0.000	2	108.9050	0.000	2	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.5430	0.000	1	109.3145	0.104	2	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.0860	0.000	1	109.3145	0.104	2	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.0040	0.000	1	109.0040	0.000	1	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[5,6])(C[5]C[5,5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[5,6])(C[5]C[5,5,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.4442	0.059	4	109.4442	0.003	4	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.1370	0.000	1	108.8750	1.704	39	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.3063	0.081	3	108.8750	1.704	39	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.0912	0.430	12	108.8750	1.704	39	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.9222	0.357	4	108.8750	1.704	39	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.6466	1.828	19	108.8750	1.704	39	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HS)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HS)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	111.0200	0.000	1	111.0200	0.000	1	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.1320	0.000	1	109.1320	0.000	1	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.4270	0.000	1	107.4100	12.145	7	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.5190	0.000	1	107.4100	12.145	7	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(H)2{3|C<4>,4|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.4690	0.000	1	107.4100	12.145	7	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(H)2{3|H<1>,4|C<4>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	106.6138	4.724	4	107.4100	12.145	7	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2{1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.7740	0.000	1	108.7957	0.017	9	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.7520	0.000	1	108.7957	0.017	9	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.7470	0.000	1	108.7957	0.017	9	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.8135	0.046	2	108.7957	0.017	9	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.0460	0.000	1	108.7957	0.017	9	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.7200	0.000	1	108.7957	0.017	9	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.9090	0.000	1	108.7957	0.017	9	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.5860	0.000	1	108.7957	0.017	9	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.8330	0.000	1	108.8330	0.000	1	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{1|O<2>,4|C<4>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.1045	0.060	2	109.0467	0.037	7	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.1090	0.000	1	109.0467	0.037	7	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{3|C<4>,3|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.9225	0.397	2	109.0467	0.037	7	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{3|H<1>,4|C<4>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.0820	0.123	2	109.0467	0.037	7	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.2440	0.000	1	109.2440	0.000	1	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6a]C[5a,6])(C[5]C[5,6a]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6a]C[5a,6])(C[5]C[5,6a]HH)(H)2{1|N<2>,1|N<3>,2|C<3>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.9780	0.000	1	108.9780	0.000	1	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6a]C[6,6a])(C[5]C[5,6a]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6a]C[6,6a])(C[5]C[5,6a]HH)(H)2{1|N<3>,3|C<3>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.7480	0.000	1	108.7480	0.000	1	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	92.8646	0.000	1	105.6895	51.402	5	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.9690	0.000	1	105.6895	51.402	5	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]HH)(H)2{4|C<3>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.8713	0.046	3	105.6895	51.402	5	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]2)(C[5]C[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.0502	0.089	13	109.0502	0.008	13	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]2)(C[5]N[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]2)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.1910	0.000	1	109.2357	0.014	3	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]2)(C[5]N[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]2)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.1440	0.000	1	109.2357	0.014	3	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]2)(C[5]N[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]2)(C[5]N[5]HH)(H)2{3|N<3>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.3720	0.000	1	109.2357	0.014	3	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.0690	0.000	1	109.0805	0.000	2	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.0920	0.000	1	109.0805	0.000	2	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]CH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]CH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.1480	0.000	1	109.1480	0.000	1	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,2|N<3>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.1010	0.000	1	109.1719	0.016	7	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.1265	0.001	2	109.1719	0.016	7	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]HH)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.4130	0.000	1	109.1719	0.016	7	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>,2|N<2>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.2820	0.000	1	109.1719	0.016	7	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.0770	0.000	2	109.1719	0.016	7	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6,6])(C[5]S[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6,6])(C[5]S[5]HH)(H)2{1|C<4>,2|C<3>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.4073	0.372	3	108.4073	0.138	3	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,3|C<4>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.1040	0.000	1	108.9537	0.012	6	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.9160	0.000	1	108.9537	0.012	6	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.9255	0.108	4	108.9537	0.012	6	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(H)2{2|C<4>,2|S<2>,3|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	112.5630	0.000	1	112.5630	0.000	1	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]BrH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]BrH)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.2330	0.000	1	109.2330	0.000	1	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	112.1190	0.000	1	112.1190	0.000	1	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(H)2{1|C<2>,1|C<4>,2|C<3>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.9380	0.000	1	108.9295	0.000	2	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.9210	0.000	1	108.9295	0.000	2	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.9990	0.038	2	109.0856	1.793	77	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.8940	0.000	1	109.0856	1.793	77	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.9313	0.112	3	109.0856	1.793	77	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.1180	0.000	1	109.0856	1.793	77	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.9940	0.000	1	109.0856	1.793	77	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.5467	1.740	16	109.0856	1.793	77	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.8990	0.000	1	109.0856	1.793	77	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,5|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	100.2570	0.000	1	109.0856	1.793	77	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.9770	0.000	1	109.0856	1.793	77	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|S<1>,2|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.9730	0.000	1	109.0856	1.793	77	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,3|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.0090	0.000	1	109.0856	1.793	77	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,5|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.9610	0.000	1	109.0856	1.793	77	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.9640	0.000	1	109.0856	1.793	77	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.9923	0.076	3	109.0856	1.793	77	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,2|O<2>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.0290	0.153	2	109.0856	1.793	77	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.0170	0.000	1	109.0856	1.793	77	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.3720	0.402	4	109.0856	1.793	77	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.1450	0.310	3	109.0856	1.793	77	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.0200	0.000	1	109.0856	1.793	77	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|H<1>,2|O<2>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.1350	0.061	2	109.0856	1.793	77	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.0780	0.063	5	109.0856	1.793	77	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.1175	0.025	2	109.0856	1.793	77	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,1|S<2>,2|C<3>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.0090	0.098	2	109.0856	1.793	77	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|N<2>,2|C<4>,3|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.0430	0.000	1	109.0856	1.793	77	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.5440	0.000	1	109.0856	1.793	77	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,3|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.0060	0.000	1	109.0856	1.793	77	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.2148	0.440	6	109.0856	1.793	77	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.8760	0.190	2	109.0856	1.793	77	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,4|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.1450	0.000	1	109.0856	1.793	77	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	111.6510	0.000	1	109.0856	1.793	77	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.0140	0.000	1	109.0856	1.793	77	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.9658	0.029	6	109.0856	1.793	77	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.8630	0.000	1	109.0856	1.793	77	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.0287	0.129	3	109.2272	0.215	6	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(H)2{1|C<3>,1|N<3>,1|O<1>,3|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.0615	0.090	2	109.2272	0.215	6	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	110.1540	0.000	1	109.2272	0.215	6	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HS)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HS)(H)2{1|C<3>,1|C<4>,1|S<4>,4|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.1610	0.000	1	109.1610	0.000	1	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]N[5]H)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]N[5]H)(H)2{1|H<1>,5|C<3>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.0410	0.000	1	109.0410	0.000	1	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.7685	0.018	2	108.9562	0.019	8	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5,6]HH)(H)2{2|C<4>,5|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.0188	0.090	6	108.9562	0.019	8	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.1253	0.068	3	109.5506	1.832	36	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.1460	0.000	1	109.5506	1.832	36	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	113.2500	0.000	1	109.5506	1.832	36	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.3190	0.000	1	109.5506	1.832	36	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	106.3830	0.000	1	109.5506	1.832	36	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,2|C<4>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.3540	0.000	1	109.5506	1.832	36	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.7960	0.000	1	109.5506	1.832	36	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.3120	0.068	2	109.5506	1.832	36	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<3>,1|N<2>,1|N<3>,1|S<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	112.1750	0.000	2	109.5506	1.832	36	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.1675	0.029	2	109.5506	1.832	36	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.1160	0.082	2	109.5506	1.832	36	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.2460	0.000	1	109.5506	1.832	36	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.2355	0.175	2	109.5506	1.832	36	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	106.9640	0.000	1	109.5506	1.832	36	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|Fe<6>,1|C<3>,1|C<4>,2|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.3057	0.104	3	109.5506	1.832	36	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|Ga<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.2810	0.000	1	109.5506	1.832	36	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|H<1>,1|N<2>,1|S<1>,1|S<2>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	112.4300	0.000	2	109.5506	1.832	36	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.1625	0.121	4	109.5506	1.832	36	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|H<1>,2|C<3>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.3210	0.000	1	109.5506	1.832	36	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|N<2>,1|S<1>,1|S<2>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.2980	0.000	1	109.5506	1.832	36	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|N<2>,2|C<3>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.2990	0.000	1	109.5506	1.832	36	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|N<3>,1|O<1>,2|C<3>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.1650	0.000	1	109.5506	1.832	36	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{2|H<1>,3|C<3>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.1850	0.000	1	109.5506	1.832	36	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]HH)(H)2{1|N<3>,2|C<3>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.3270	0.000	1	109.3270	0.000	1	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.7020	0.037	2	108.6848	0.006	5	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|S<2>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.6525	0.139	2	108.6848	0.006	5	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.7150	0.000	1	108.6848	0.006	5	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]S[6])(C[5]C[5]CC)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]S[6])(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,2|O<1>,3|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.8762	0.061	4	108.8762	0.004	4	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]S[6])(C[5]C[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]S[6])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|O<1>,3|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.9860	0.000	1	108.9860	0.000	1	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]S[6])(C[5]C[6a]C[5]H)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]S[6])(C[5]C[6a]C[5]H)(H)2{1|C<4>,1|O<2>,2|O<1>,3|C<3>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.1580	0.000	1	109.0650	0.017	2	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]S[6])(C[5]C[6a]C[5]H)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]S[6])(C[5]C[6a]C[5]H)(H)2{1|C<4>,2|O<1>,3|C<3>,3|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.9720	0.000	1	109.0650	0.017	2	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]S[6])(C[5]S[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]S[6])(C[5]S[5]HH)(H)2{1|C<3>,1|N<2>,2|O<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.2980	0.000	1	109.2980	0.000	1	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5a,6]C[5,6])(C[5]N[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5a,6]C[5,6])(C[5]N[5]HH)(H)2{1|N<3>,2|C<3>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.3420	0.024	2	109.3420	0.001	2	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5,5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5,5]HH)(H)2{1|H<1>,5|C<3>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.9070	0.000	1	108.9070	0.000	1	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.9555	0.052	2	108.7151	2.126	24	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.4730	1.814	15	108.7151	2.126	24	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.9475	0.042	2	108.7151	2.126	24	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.9640	0.082	2	108.7151	2.126	24	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.4443	0.067	3	108.7151	2.126	24	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5]HH)(H)2{1|Ga<4>,3|C<3>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.2480	0.000	1	109.9878	1.630	4	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5]HH)(H)2{1|N<2>,2|C<3>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.4035	0.132	2	109.9878	1.630	4	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5]HH)(H)2{4|C<3>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	111.8960	0.000	1	109.9878	1.630	4	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]O[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]O[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.3925	0.008	2	109.3925	0.000	2	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[6,6a]P[5,6])(C[5]O[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[6,6a]P[5,6])(C[5]O[5]HH)(H)2{1|N<3>,1|S<1>,2|C<3>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.9040	0.000	1	108.9040	0.000	1	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]Ga[3x5,6,6]C[6])(C[5]N[5,5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]Ga[3x5,6,6]C[6])(C[5]N[5,5]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|N<4>,2|C<4>,2|O<2>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.3150	0.000	1	108.3150	0.000	1	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]Ga[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]Ga[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{1|Cl<1>,1|Li<6>,1|C<4>,2|C<3>,2|O<3>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.3055	0.043	2	108.2826	0.246	8	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]Ga[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]Ga[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{1|H<1>,1|P<2>,2|C<3>,2|O<2>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.4395	0.228	2	108.2826	0.246	8	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]Ga[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]Ga[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{1|H<1>,2|C<3>,3|O<2>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.8045	0.251	2	108.2826	0.246	8	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]Ga[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]Ga[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{2|C<3>,2|C<4>,2|O<2>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	107.5810	0.148	2	108.2826	0.246	8	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]In[3x5,6,6]C[6])(C[5]N[5,5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]In[3x5,6,6]C[6])(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|N<4>,2|H<1>,2|O<2>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.4180	0.042	2	108.4180	0.002	2	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]In[5,5,6,6]P[6])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]In[5,5,6,6]P[6])(C[5]N[5,6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,4|O<2>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.1640	0.109	2	108.1640	0.012	2	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]In[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]In[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.1275	0.084	2	108.0314	0.052	11	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]In[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]In[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	107.6025	0.107	2	108.0314	0.052	11	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]In[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]In[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{1|Cl<1>,1|C<3>,2|C<4>,2|O<2>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.2650	0.000	1	108.0314	0.052	11	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]In[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]In[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{1|Cl<1>,1|C<4>,1|O<3>,2|C<3>,2|O<2>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.1100	0.062	2	108.0314	0.052	11	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]In[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]In[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{1|Cl<1>,1|C<4>,2|C<3>,2|O<2>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.0360	0.058	2	108.0314	0.052	11	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]In[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]In[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{1|Cl<1>,1|C<4>,2|C<3>,3|O<2>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.1640	0.037	2	108.0314	0.052	11	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.1170	0.000	1	108.8956	0.044	5	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.0120	0.000	1	108.8956	0.044	5	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.7830	0.194	3	108.8956	0.044	5	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]P[5,6]C[6])(C[5]N[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]P[5,6]C[6])(C[5]N[5]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.6360	0.000	1	108.6360	0.000	1	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]Si[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]Si[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{1|C<4>,1|N<2>,2|O<2>,3|C<3>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.6925	0.011	2	108.6349	0.032	7	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]Si[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]Si[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{1|C<4>,2|C<3>,2|N<2>,2|O<2>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.6600	0.000	1	108.6349	0.032	7	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]Si[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]Si[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{2|N<2>,2|O<2>,3|C<3>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.5998	0.244	4	108.6349	0.032	7	108.9576	2.052	366	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:S[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(S[5]C[5]OO)(H)2	H(C[5]N[5,6]S[5]H)	H(C[5]N[5,6]S[5]H)	C[5](N[5,6]C[5,6]C[6])(S[5]C[5]OO)(H)2{1|N<2>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]N[5,6]S[5]H)	H(C[5]N[5,6]S[5]H)	108.9760	0.000	1	109.0285	0.006	2	109.0285	0.006	2	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:S[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(S[5]C[5]OO)(H)2	H(C[5]N[5,6]S[5]H)	H(C[5]N[5,6]S[5]H)	C[5](N[5,6]C[5,6]C[6])(S[5]C[5]OO)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]N[5,6]S[5]H)	H(C[5]N[5,6]S[5]H)	109.0810	0.000	1	109.0285	0.006	2	109.0285	0.006	2	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:Si[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CC)(H)2	H(C[5]N[5,6]Si[5]H)	H(C[5]N[5,6]Si[5]H)	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]N[5,6]Si[5]H)	H(C[5]N[5,6]Si[5]H)	108.7685	0.047	2	108.7685	0.002	2	108.7685	0.002	2	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6a]C[5,6a,6a]C[5a,6a])(C[5]C[5,6a]HH)(H)2	H(C[5]N[5,6a]C[5]H)	H(C[5]N[5,6a]C[5]H)	C[5](N[5,6a]C[5,6a,6a]C[5a,6a])(C[5]C[5,6a]HH)(H)2{4|C<3>}	H(C[5]N[5,6a]C[5]H)	H(C[5]N[5,6a]C[5]H)	108.9280	0.000	1	108.9280	0.000	1	108.8149	0.848	43	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]HH)(H)2	H(C[5]N[5,6a]C[5]H)	H(C[5]N[5,6a]C[5]H)	C[5](N[5,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]HH)(H)2{4|C<3>}	H(C[5]N[5,6a]C[5]H)	H(C[5]N[5,6a]C[5]H)	108.8910	0.000	1	108.8910	0.000	1	108.8149	0.848	43	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6a]C[5,6a,6a]C[6a,6a])(C[5]N[5,6a]HH)(H)2	H(C[5]N[5,6a]C[5]H)	H(C[5]N[5,6a]C[5]H)	C[5](N[5,6a]C[5,6a,6a]C[6a,6a])(C[5]N[5,6a]HH)(H)2{4|C<3>}	H(C[5]N[5,6a]C[5]H)	H(C[5]N[5,6a]C[5]H)	109.0840	0.000	1	109.0840	0.000	1	108.8149	0.848	43	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2	H(C[5]N[5,6a]C[5]H)	H(C[5]N[5,6a]C[5]H)	C[5](N[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2{1|O<1>,3|C<3>}	H(C[5]N[5,6a]C[5]H)	H(C[5]N[5,6a]C[5]H)	108.9108	0.064	10	108.9108	0.004	10	108.8149	0.848	43	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2	H(C[5]N[5,6a]C[5]H)	H(C[5]N[5,6a]C[5]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2{1|O<1>,2|C<3>,2|O<2>}	H(C[5]N[5,6a]C[5]H)	H(C[5]N[5,6a]C[5]H)	109.0820	0.086	2	109.0820	0.007	2	108.8149	0.848	43	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]N[5,6a]C[5]H)	H(C[5]N[5,6a]C[5]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>}	H(C[5]N[5,6a]C[5]H)	H(C[5]N[5,6a]C[5]H)	109.1225	0.088	2	108.3556	2.402	11	108.8149	0.848	43	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]N[5,6a]C[5]H)	H(C[5]N[5,6a]C[5]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>}	H(C[5]N[5,6a]C[5]H)	H(C[5]N[5,6a]C[5]H)	106.2630	0.000	1	108.3556	2.402	11	108.8149	0.848	43	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]N[5,6a]C[5]H)	H(C[5]N[5,6a]C[5]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<2>,1|O<1>,1|O<2>,2|C<3>}	H(C[5]N[5,6a]C[5]H)	H(C[5]N[5,6a]C[5]H)	109.1950	0.000	1	108.3556	2.402	11	108.8149	0.848	43	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]N[5,6a]C[5]H)	H(C[5]N[5,6a]C[5]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<2>,1|O<1>,2|C<3>}	H(C[5]N[5,6a]C[5]H)	H(C[5]N[5,6a]C[5]H)	108.8900	0.011	2	108.3556	2.402	11	108.8149	0.848	43	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	H(C[5]N[5,6a]C[5]H)	H(C[5]N[5,6a]C[5]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|H<1>}	H(C[5]N[5,6a]C[5]H)	H(C[5]N[5,6a]C[5]H)	108.0858	2.050	5	108.3556	2.402	11	108.8149	0.848	43	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	H(C[5]N[5,6a]C[5]H)	H(C[5]N[5,6a]C[5]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[5]N[5,6a]C[5]H)	H(C[5]N[5,6a]C[5]H)	111.4340	0.000	1	109.4980	0.622	8	108.8149	0.848	43	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	H(C[5]N[5,6a]C[5]H)	H(C[5]N[5,6a]C[5]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]N[5,6a]C[5]H)	H(C[5]N[5,6a]C[5]H)	109.1930	0.000	1	109.4980	0.622	8	108.8149	0.848	43	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	H(C[5]N[5,6a]C[5]H)	H(C[5]N[5,6a]C[5]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|Cu<5>,1|O<1>,2|C<3>}	H(C[5]N[5,6a]C[5]H)	H(C[5]N[5,6a]C[5]H)	109.2840	0.000	1	109.4980	0.622	8	108.8149	0.848	43	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	H(C[5]N[5,6a]C[5]H)	H(C[5]N[5,6a]C[5]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,1|O<1>,2|C<3>}	H(C[5]N[5,6a]C[5]H)	H(C[5]N[5,6a]C[5]H)	109.1540	0.000	1	109.4980	0.622	8	108.8149	0.848	43	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	H(C[5]N[5,6a]C[5]H)	H(C[5]N[5,6a]C[5]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|N<2>,1|O<1>,2|C<3>}	H(C[5]N[5,6a]C[5]H)	H(C[5]N[5,6a]C[5]H)	109.2990	0.190	2	109.4980	0.622	8	108.8149	0.848	43	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	H(C[5]N[5,6a]C[5]H)	H(C[5]N[5,6a]C[5]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|N<3>,1|O<1>,2|C<3>}	H(C[5]N[5,6a]C[5]H)	H(C[5]N[5,6a]C[5]H)	109.1180	0.000	1	109.4980	0.622	8	108.8149	0.848	43	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	H(C[5]N[5,6a]C[5]H)	H(C[5]N[5,6a]C[5]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|O<1>,2|C<3>}	H(C[5]N[5,6a]C[5]H)	H(C[5]N[5,6a]C[5]H)	109.2030	0.000	1	109.4980	0.622	8	108.8149	0.848	43	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(H)2	H(C[5]N[5,6a]C[5]H)	H(C[5]N[5,6a]C[5]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(H)2{1|C<3>,1|N<2>,1|O<1>}	H(C[5]N[5,6a]C[5]H)	H(C[5]N[5,6a]C[5]H)	108.3917	0.065	3	108.4904	0.015	7	108.8149	0.848	43	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(H)2	H(C[5]N[5,6a]C[5]H)	H(C[5]N[5,6a]C[5]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(H)2{1|O<1>,2|C<3>}	H(C[5]N[5,6a]C[5]H)	H(C[5]N[5,6a]C[5]H)	108.5645	0.103	4	108.4904	0.015	7	108.8149	0.848	43	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6a]C[5,6a]N[6a])(C[5]S[5]HH)(H)2	H(C[5]N[5,6a]C[5]H)	H(C[5]N[5,6a]C[5]H)	C[5](N[5,6a]C[5,6a]N[6a])(C[5]S[5]HH)(H)2{1|C<3>,1|N<2>}	H(C[5]N[5,6a]C[5]H)	H(C[5]N[5,6a]C[5]H)	108.7680	0.049	2	108.7680	0.002	2	108.8149	0.848	43	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]B[5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]B[5]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8980	0.000	1	108.8980	0.000	1	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]B[5x3,5x5,20x6]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]B[5x3,5x5,20x6]C[5])(C[5]C[5]HH)(H)2{1|C<6>,1|O<1>,2|H<1>,4|B<6>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9480	0.028	2	108.9480	0.001	2	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[3]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[3]C[5])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8890	0.020	2	108.8890	0.000	2	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[3]C[5])(C[5]O[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[3]C[5])(C[5]O[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.3070	0.000	1	109.3070	0.000	1	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[3x6]C[5,5])(C[5]N[5,5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[3x6]C[5,5])(C[5]N[5,5]HH)(H)2{1|Ge<4>,1|C<3>,3|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2795	0.185	2	109.2795	0.034	2	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[3x6]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[3x6]C[5])(C[5]N[5]HH)(H)2{1|Ru<6>,1|C<3>,3|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1720	0.000	1	109.2300	0.007	2	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[3x6]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[3x6]C[5])(C[5]N[5]HH)(H)2{1|Ru<9>,1|C<3>,3|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2880	0.000	1	109.2300	0.007	2	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[4,5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[4,5]C)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2020	0.000	1	109.2020	0.000	1	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[4,5]C)(C[5]C[5]HO)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[4,5]C)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1540	0.000	1	109.1540	0.000	1	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[4]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[4]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0515	0.202	2	109.0610	0.021	3	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[4]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[4]C[5])(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0800	0.000	1	109.0610	0.021	3	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,5,6,6]C)(C[5]C[5,6,6]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5,6,6]C)(C[5]C[5,6,6]HH)(H)2{1|C<3>,3|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.4930	0.000	1	108.4930	0.000	1	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,5]C)(C[5]C[5]2H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C)(C[5]C[5]2H)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7090	0.000	1	108.9090	0.042	3	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,5]C)(C[5]C[5]2H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C)(C[5]C[5]2H)(H)2{1|Fe<10>,1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0090	0.156	2	108.9090	0.042	3	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,5]C)(C[5]C[5]CH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C)(C[5]C[5]CH)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0330	0.000	1	109.1290	0.038	3	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,5]C)(C[5]C[5]CH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C)(C[5]C[5]CH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1770	0.247	2	109.1290	0.038	3	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2{1|C<2>,1|C<4>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8520	0.000	1	109.1386	0.797	19	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8840	0.187	4	109.1386	0.797	19	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1508	0.115	4	109.1386	0.797	19	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0655	0.012	2	109.1386	0.797	19	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2{1|C<4>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7708	0.098	4	109.1386	0.797	19	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	110.9335	2.563	2	109.1386	0.797	19	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7810	0.048	2	109.1386	0.797	19	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,5]C)(C[5]C[5]HN)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C)(C[5]C[5]HN)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7770	0.000	1	108.7770	0.000	1	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,5]C)(C[5]C[5]HS)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C)(C[5]C[5]HS)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9290	0.047	3	108.9290	0.002	3	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,5]C)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C)(C[5]N[5]HH)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9390	0.105	2	108.5905	1.640	11	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,5]C)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C)(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.5131	1.418	9	108.5905	1.640	11	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]CH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]CH)(H)2{2|N<2>,4|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0050	0.000	1	109.0050	0.000	1	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9577	0.089	6	108.9577	0.008	6	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,5]C[6a])(C[5]N[5,5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C[6a])(C[5]N[5,5]HH)(H)2{1|B<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	110.0990	0.000	1	109.2433	0.340	4	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,5]C[6a])(C[5]N[5,5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C[6a])(C[5]N[5,5]HH)(H)2{1|H<1>,1|P<4>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1280	0.000	1	109.2433	0.340	4	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,5]C[6a])(C[5]N[5,5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C[6a])(C[5]N[5,5]HH)(H)2{1|S<2>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8730	0.028	2	109.2433	0.340	4	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,5]C[6a])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C[6a])(C[5]N[5]HH)(H)2{1|O<2>,4|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0990	0.191	2	109.0990	0.036	2	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,5]C[6a])(C[5]O[5]CH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]C[6a])(C[5]O[5]CH)(H)2{4|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2877	0.031	3	109.2877	0.001	3	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.6610	0.338	2	108.6610	0.114	2	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,5]S)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]S)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0415	0.188	6	109.0114	0.031	9	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,5]S)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]S)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9513	0.164	3	109.0114	0.031	9	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,5a]C[3x6])(C[5]N[5,5a]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5a]C[3x6])(C[5]N[5,5a]HH)(H)2{1|B<4>,1|C<3>,3|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0130	0.000	1	109.2197	0.035	3	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,5a]C[3x6])(C[5]N[5,5a]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5a]C[3x6])(C[5]N[5,5a]HH)(H)2{1|Ge<3>,1|C<3>,3|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.3230	0.074	2	109.2197	0.035	3	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,6,6]H)(C[5]N[5,6]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6,6]H)(C[5]N[5,6]HH)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.4100	0.000	1	109.4100	0.000	1	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,6]C)(C[5]C[5]CH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6]C)(C[5]C[5]CH)(H)2{1|H<1>,1|S<2>,2|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9870	0.000	1	108.9870	0.000	1	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8470	0.000	1	108.7264	2.040	14	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6]C)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	111.0430	0.000	1	108.7264	2.040	14	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6]C)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.5233	1.370	12	108.7264	2.040	14	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,6]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6]C[5])(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0050	0.000	1	109.0050	0.000	1	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,6]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6]C[5])(C[5]N[5]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2480	0.000	1	109.2480	0.000	1	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,6]C[6])(C[5]C[5,6]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6]C[6])(C[5]C[5,6]HH)(H)2{2|C<2>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7810	0.000	1	108.7810	0.000	1	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9288	0.076	5	108.8960	0.011	7	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]HH)(H)2{1|C<4>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7010	0.000	1	108.8960	0.011	7	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]HH)(H)2{1|N<2>,1|O<2>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9270	0.000	1	108.8960	0.011	7	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]HH)(H)2{1|Ga<4>,1|C<4>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2800	0.000	1	111.5990	24.848	4	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]HH)(H)2{1|Ga<4>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1920	0.000	1	111.5990	24.848	4	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]HH)(H)2{1|N<3>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8530	0.000	1	111.5990	24.848	4	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]HH)(H)2{4|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	119.0710	0.000	1	111.5990	24.848	4	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6]H)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8780	0.000	1	108.8780	0.000	1	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,6]S)(C[5]C[5]CH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6]S)(C[5]C[5]CH)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9840	0.000	1	108.9840	0.000	1	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,6]S)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6]S)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.4090	0.000	1	109.2655	0.041	2	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,6]S)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6]S)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1220	0.000	1	109.2655	0.041	2	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,6]S)(C[5]O[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6]S)(C[5]O[5]HH)(H)2{2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0950	0.000	1	109.0950	0.000	1	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(H)2{1|C<4>,1|N<2>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0335	0.438	4	108.9884	0.154	5	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(H)2{1|C<4>,4|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8080	0.000	1	108.9884	0.154	5	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,6a]C[5a])(C[5]C[5,6a]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6a]C[5a])(C[5]C[5,6a]HH)(H)2{1|N<2>,1|N<3>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8870	0.000	1	108.9240	0.003	2	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,6a]C[5a])(C[5]C[5,6a]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6a]C[5a])(C[5]C[5,6a]HH)(H)2{1|O<2>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9610	0.000	1	108.9240	0.003	2	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H)2{1|N<2>,1|N<3>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8495	0.040	2	108.8203	0.003	4	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H)2{1|N<3>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7910	0.059	2	108.8203	0.003	4	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(H)2{4|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0310	0.000	1	109.0310	0.000	1	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2{1|N<2>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8377	0.058	6	108.9384	0.040	19	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2{2|C<3>,2|N<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8967	0.109	6	108.9384	0.040	19	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2{4|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0606	0.277	7	108.9384	0.040	19	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,6a]C[6a])(C[5]N[5,6a]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6a]C[6a])(C[5]N[5,6a]HH)(H)2{1|N<2>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8835	1.933	2	108.9177	1.871	3	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,6a]C[6a])(C[5]N[5,6a]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6a]C[6a])(C[5]N[5,6a]HH)(H)2{1|N<3>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9860	0.000	1	108.9177	1.871	3	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0478	0.177	5	109.0049	0.245	73	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0318	0.143	4	109.0049	0.245	73	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0220	0.000	1	109.0049	0.245	73	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0065	0.071	2	109.0049	0.245	73	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1337	0.037	3	109.0049	0.245	73	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.2026	1.373	5	109.0049	0.245	73	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,1|P<4>,4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0020	0.000	1	109.0049	0.245	73	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|Fe<11>,2|C<4>,4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0390	0.223	8	109.0049	0.245	73	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|Ir<6>,1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.6870	0.000	1	109.0049	0.245	73	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0990	0.000	1	109.0049	0.245	73	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1400	0.000	1	109.0049	0.245	73	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0350	0.000	1	109.0049	0.245	73	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0605	0.045	2	109.0049	0.245	73	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2310	0.000	1	109.0049	0.245	73	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1028	0.474	24	109.0049	0.245	73	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9820	0.000	1	109.0049	0.245	73	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9630	0.175	11	109.0049	0.245	73	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{3|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8760	0.000	1	109.0049	0.245	73	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]C[5]HO)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]C[5]HO)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.6670	0.034	3	108.6670	0.001	3	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]N[5]CH)(H)2{1|Ni<4>,1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0930	0.057	2	109.0930	0.003	2	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]N[5]HH)(H)2{1|H<1>,1|N<2>,3|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1600	0.008	2	109.2052	0.004	5	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]N[5]HH)(H)2{1|Ru<5>,1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2180	0.000	1	109.2052	0.004	5	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]N[5]HH)(H)2{1|Ru<5>,1|Ru<9>,1|C<3>,2|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1750	0.000	1	109.2052	0.004	5	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]N[5]HH)(H)2{1|Ru<6>,1|C<4>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.3130	0.000	1	109.2052	0.004	5	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.5777	1.559	3	108.2992	4.344	5	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	106.3815	0.507	2	108.2992	4.344	5	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1050	0.305	2	109.1217	0.041	4	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0200	0.000	1	109.1217	0.041	4	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2570	0.000	1	109.1217	0.041	4	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]N[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]N[5])(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2600	0.093	2	109.2278	0.017	5	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]N[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]N[5])(C[5]N[5]HH)(H)2{1|Rh<6>,1|N<3>,2|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2063	0.168	3	109.2278	0.017	5	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]P[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]P[6])(C[5]C[5]HH)(H)2{1|Cl<1>,2|N<2>,4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9951	0.113	10	108.7839	0.325	42	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]P[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]P[6])(C[5]C[5]HH)(H)2{1|N<3>,2|N<2>,4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7021	0.642	31	108.7839	0.325	42	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]P[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]P[6])(C[5]C[5]HH)(H)2{1|O<2>,2|N<2>,4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2090	0.000	1	108.7839	0.325	42	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|O<1>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1960	0.000	1	109.1370	0.004	16	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|S<2>,4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1375	0.063	2	109.1370	0.004	16	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1191	0.053	7	109.1370	0.004	16	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2{1|N<2>,1|O<1>,1|S<2>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2370	0.017	2	109.1370	0.004	16	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2{1|N<2>,1|S<2>,4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1033	0.072	4	109.1370	0.004	16	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5a]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|N<2>,1|O<1>,1|S<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	110.3600	0.000	1	109.7795	0.674	2	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5a]C[5])(C[5]N[5]HH)(H)2{1|N<2>,1|N<3>,1|O<1>,1|S<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1990	0.000	1	109.7795	0.674	2	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5a]C[5])(C[5]O[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5a]C[5])(C[5]O[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.4810	0.102	3	109.4144	0.014	5	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5a]C[5])(C[5]O[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5a]C[5])(C[5]O[5]HH)(H)2{1|O<1>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.3145	0.060	2	109.4144	0.014	5	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5a]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5a]N[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|S<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2940	0.000	1	109.2940	0.000	1	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6,6]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6,6]C[5])(C[5]C[5]HH)(H)2{1|C<2>,2|C<4>,4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2470	0.000	1	109.0160	0.029	9	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6,6]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6,6]C[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1023	0.162	3	109.0160	0.029	9	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6,6]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6,6]C[5])(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9180	0.117	5	109.0160	0.029	9	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6,6]C[5])(C[5]O[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6,6]C[5])(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.3280	0.000	1	109.3280	0.000	1	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]B[5])(C[5]N[5,6]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]B[5])(C[5]N[5,6]HH)(H)2{1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0270	0.000	1	109.0270	0.000	1	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2{1|B<3>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0537	0.093	3	108.8889	0.025	17	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2{1|B<4>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8560	0.000	1	108.8889	0.025	17	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2{1|Br<1>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7720	0.200	4	108.8889	0.025	17	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2{1|C<4>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7880	0.000	1	108.8889	0.025	17	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2{1|Li<3>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0540	0.000	2	108.8889	0.025	17	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2{1|O<2>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9215	0.128	2	108.8889	0.025	17	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2{4|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8170	0.070	4	108.8889	0.025	17	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[3,5]CO)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[3,5]CO)(H)2{1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8210	0.000	1	108.8210	0.000	1	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[3,5]HN)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[3,5]HN)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.7370	0.000	1	109.7370	0.000	1	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5,5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5,5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0155	0.107	2	109.0155	0.011	2	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0040	0.000	1	108.9535	0.005	2	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(H)2{3|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9030	0.000	1	108.9535	0.005	2	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2{1|C<2>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7790	0.000	1	109.0145	0.057	12	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0990	0.040	2	109.0145	0.057	12	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2{1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8980	0.000	1	109.0145	0.057	12	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2{1|O<1>,1|O<2>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0220	0.000	1	109.0145	0.057	12	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2{1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8250	0.027	2	109.0145	0.057	12	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2{1|O<1>,2|C<3>,2|F<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7810	0.000	1	109.0145	0.057	12	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2{1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2655	0.023	2	109.0145	0.057	12	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2{1|Si<4>,1|H<1>,2|C<3>,2|F<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.5110	0.000	1	109.0145	0.057	12	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2{3|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8040	0.000	1	109.0145	0.057	12	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CO)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CO)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.4270	0.000	1	109.0513	0.154	3	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CO)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CO)(H)2{1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0840	0.000	1	109.0513	0.154	3	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CO)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CO)(H)2{3|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.6430	0.000	1	109.0513	0.154	3	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]FF)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]FF)(H)2{2|C<3>,2|F<1>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2460	0.219	2	109.2460	0.048	2	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<2>,1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	110.5900	0.000	1	108.8580	0.996	120	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.3140	0.000	1	108.8580	0.996	120	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|S<1>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0860	0.000	1	108.8580	0.996	120	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.6537	1.586	31	108.8580	0.996	120	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	111.6210	0.000	1	108.8580	0.996	120	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9517	0.098	15	108.8580	0.996	120	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9770	0.000	1	108.8580	0.996	120	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|Cl<1>,1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0900	0.000	1	108.8580	0.996	120	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|S<2>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0305	0.015	2	108.8580	0.996	120	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0381	0.087	7	108.8580	0.996	120	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|N<2>,1|O<2>,4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1875	0.029	2	108.8580	0.996	120	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|N<2>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9600	0.000	1	108.8580	0.996	120	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9810	0.000	1	108.8580	0.996	120	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0170	0.000	1	108.8580	0.996	120	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9160	0.086	2	108.8580	0.996	120	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1220	0.000	1	108.8580	0.996	120	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.6875	0.835	40	108.8580	0.996	120	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0785	0.060	2	108.8580	0.996	120	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|N<2>,4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1179	0.099	7	108.8580	0.996	120	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{3|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.3205	0.639	2	108.8580	0.996	120	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]HO)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HO)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0700	0.000	1	109.0700	0.000	1	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{1|C<3>,1|N<2>,1|O<1>,1|S<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	106.6660	0.000	2	109.0377	0.460	39	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0515	0.078	2	109.0377	0.460	39	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{1|Co<5>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1707	0.030	3	109.0377	0.460	39	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{1|H<1>,1|S<4>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8720	0.000	1	109.0377	0.460	39	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	110.1135	1.709	2	109.0377	0.460	39	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{1|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9660	0.000	1	109.0377	0.460	39	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{1|Li<7>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1130	0.000	1	109.0377	0.460	39	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{1|Ni<4>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0272	0.124	6	109.0377	0.460	39	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{1|O<1>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2006	0.267	5	109.0377	0.460	39	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{1|Pd<4>,1|C<4>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2290	0.000	1	109.0377	0.460	39	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{1|Pd<4>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0847	0.133	9	109.0377	0.460	39	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1983	0.080	6	109.0377	0.460	39	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Al<4>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2780	0.053	6	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Al<5>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1160	0.014	2	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|B<2>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1500	0.000	1	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|B<3>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1361	0.105	8	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|B<4>,1|C<4>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1290	0.000	1	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|B<4>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1886	0.088	14	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|B<5>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0625	0.132	2	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Br<1>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0627	0.088	3	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0870	0.064	5	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|N<2>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1950	0.000	1	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9320	0.000	1	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|S<1>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2127	0.075	3	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|U<8>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2110	0.048	2	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|C<4>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2129	0.196	14	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Cd<5>,1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0390	0.000	1	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Co<2>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2415	0.088	4	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Co<3>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2344	0.076	8	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Co<4>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2225	0.081	4	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Co<5>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1753	0.081	4	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Cu<3>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.3388	0.099	4	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Fe<3>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2607	0.098	9	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Fe<4>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2049	0.066	36	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Fe<5>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2284	0.080	5	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Fe<6>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0950	0.303	4	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ga<4>,1|C<4>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.3183	0.027	3	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ga<4>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2015	0.073	22	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|H<1>,1|N<2>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9520	0.000	1	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1525	0.026	2	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|H<1>,1|P<3>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0115	0.066	2	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|H<1>,1|S<2>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0447	0.063	7	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1409	0.070	38	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2270	0.182	4	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|In<4>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1977	0.072	7	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ir<5>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.7125	0.430	12	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ir<6>,1|C<4>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.3580	0.000	1	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ir<6>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2307	0.205	3	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Mg<6>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1730	0.000	1	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Mn<6>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1080	0.000	1	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|N<2>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.4070	0.000	1	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|N<2>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8725	0.566	6	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ni<2>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2147	0.090	4	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ni<3>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2507	0.206	4	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ni<4>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2185	0.096	6	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ni<5>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2943	0.053	4	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ni<7>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1769	0.088	7	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|P<2>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2303	0.136	14	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|P<3>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1910	0.049	7	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|P<4>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2400	0.000	1	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|P<4>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2500	0.006	2	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Pd<2>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2685	0.157	4	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Pd<3>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1345	0.042	4	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Pd<4>,1|C<4>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0700	0.043	4	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Pd<4>,1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2092	0.052	4	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Pd<4>,1|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.6330	0.761	2	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Pd<4>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2118	0.136	81	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Pd<5>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2788	0.174	6	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Pd<6>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.3023	0.118	4	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Pt<4>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.3820	0.486	11	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Re<5>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.3950	0.000	1	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Re<6>,1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2230	0.000	1	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Re<6>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1325	0.037	6	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Rh<4>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2343	0.153	4	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Rh<5>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2135	0.018	2	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Rh<6>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1745	0.046	2	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ru<4>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8555	0.353	4	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ru<5>,1|C<4>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1561	0.052	8	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ru<5>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9525	2.184	150	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ru<6>,1|C<4>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.3350	0.000	1	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ru<6>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0490	0.391	25	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ru<8>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1050	0.000	1	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ru<9>,1|C<4>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9955	0.186	2	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ru<9>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1824	0.141	5	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|S<2>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0975	0.050	4	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Se<1>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0999	0.072	7	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Se<2>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1582	0.061	9	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Se<3>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1635	0.056	2	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Zn<4>,1|C<4>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.3245	0.053	2	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Zn<4>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2265	0.026	2	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Zn<5>,1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0710	0.000	1	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{2|C<3>,2|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.3265	0.131	2	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2832	0.049	10	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{4|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0650	0.334	27	109.1409	1.063	700	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]O[5]CH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]O[5]CH)(H)2{1|O<1>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2816	2.867	11	109.2473	7.488	12	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]O[5]CH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]O[5]CH)(H)2{4|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8700	0.000	1	109.2473	7.488	12	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(H)2{1|O<1>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.4275	0.012	2	109.3524	0.007	5	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(H)2{1|Re<6>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.3690	0.000	1	109.3524	0.007	5	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(H)2{2|C<3>,2|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2520	0.000	1	109.3524	0.007	5	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(H)2{2|C<4>,2|N<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2860	0.000	1	109.3524	0.007	5	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(H)2{1|N<3>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.6390	0.000	1	108.7562	0.877	8	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(H)2{3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7730	1.010	7	108.7562	0.877	8	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]Ga[5])(C[5]N[5,6]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]Ga[5])(C[5]N[5,6]HH)(H)2{1|Cl<1>,1|Ga<4>,2|C<3>,2|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.2950	0.000	1	108.3595	0.008	2	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]Ga[5])(C[5]N[5,6]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]Ga[5])(C[5]N[5,6]HH)(H)2{1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.4240	0.000	1	108.3595	0.008	2	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8480	0.000	1	110.5770	4.119	7	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(H)2{3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	110.8652	2.060	6	110.5770	4.119	7	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]O[5])(C[5]C[5]HH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1450	0.000	1	109.1450	0.000	1	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.5690	0.000	1	109.1416	0.763	83	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Cl<1>,1|Ni<4>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	110.0210	1.718	2	109.1416	0.763	83	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Cl<1>,1|O<1>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8270	0.000	1	109.1416	0.763	83	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Cl<1>,1|Pt<4>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.9285	0.955	2	109.1416	0.763	83	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Cl<1>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.6657	0.400	6	109.1416	0.763	83	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Co<4>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.4140	1.233	4	109.1416	0.763	83	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Co<5>,1|O<1>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.4355	0.187	2	109.1416	0.763	83	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Co<5>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2392	1.099	4	109.1416	0.763	83	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|N<2>,1|W<6>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.6200	0.071	2	109.1416	0.763	83	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|N<2>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.5290	0.000	1	109.1416	0.763	83	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Ni<4>,1|F<1>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1825	0.011	2	109.1416	0.763	83	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Ni<4>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.5730	0.786	12	109.1416	0.763	83	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|O<1>,4|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7255	0.039	2	109.1416	0.763	83	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|O<2>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8473	0.124	4	109.1416	0.763	83	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Pd<5>,4|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.5334	0.117	8	109.1416	0.763	83	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Pt<3>,1|Pt<4>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.9710	0.565	4	109.1416	0.763	83	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Pt<3>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8150	0.078	2	109.1416	0.763	83	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Pt<4>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9255	0.874	4	109.1416	0.763	83	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|S<2>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7250	0.180	2	109.1416	0.763	83	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|W<8>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8565	0.046	2	109.1416	0.763	83	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{2|Ni<4>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.3055	1.545	8	109.1416	0.763	83	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{2|Pt<4>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	111.5700	0.000	1	109.1416	0.763	83	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7592	0.178	4	109.1416	0.763	83	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{4|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8097	0.113	3	109.1416	0.763	83	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]P[5])(C[5]O[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]P[5])(C[5]O[5]HH)(H)2{1|S<1>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9450	0.114	4	108.9450	0.013	4	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]Si[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]Si[5])(C[5]N[5]HH)(H)2{1|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.4925	0.042	2	108.5113	0.001	6	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]Si[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]Si[5])(C[5]N[5]HH)(H)2{1|Si<4>,1|C<4>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.5100	0.030	2	108.5113	0.001	6	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]Si[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]Si[5])(C[5]N[5]HH)(H)2{1|Si<5>,1|C<4>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.5315	0.009	2	108.5113	0.001	6	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]Ge[4,5,5]Si)(C[5]N[4,5,5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]Ge[4,5,5]Si)(C[5]N[4,5,5]HH)(H)2{1|Cl<1>,1|Ge<5>,1|C<4>,1|N<3>,1|N<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.2820	0.074	2	108.2820	0.005	2	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]In[3x5]H)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]In[3x5]H)(C[5]N[5]HH)(H)2{2|Se<2>,1|H<1>,2|N<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.1015	0.226	4	108.1015	0.051	4	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]P[3,5]C[6a])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]P[3,5]C[6a])(C[5]N[5]HH)(H)2{1|P<2>,4|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.6130	0.058	2	108.6130	0.003	2	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]P[5,5]C)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]P[5,5]C)(C[5]N[5]HH)(H)2{1|Ge<3>,1|C<3>,1|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.6020	0.132	2	108.7500	0.035	4	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]P[5,5]C)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]P[5,5]C)(C[5]N[5]HH)(H)2{1|Ge<4>,1|C<3>,1|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8980	0.033	2	108.7500	0.035	4	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]P[5,5]C[6a])(C[5]N[5,5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]P[5,5]C[6a])(C[5]N[5,5]HH)(H)2{1|P<4>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.8350	0.000	1	109.8350	0.000	1	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]P[5,6]C)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]P[5,6]C)(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8655	0.148	2	108.6947	0.052	16	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]P[5,6]C)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]P[5,6]C)(C[5]N[5]HH)(H)2{1|C<4>,2|N<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.6703	0.232	14	108.6947	0.052	16	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]P[5,6]C)(C[5]O[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]P[5,6]C)(C[5]O[5]HH)(H)2{2|N<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9756	0.175	7	108.9756	0.031	7	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]P[5,6]H)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]P[5,6]H)(C[5]N[5]HH)(H)2{1|H<1>,2|N<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9370	0.010	2	108.9370	0.000	2	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]P[5,6]H)(C[5]O[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]P[5,6]H)(C[5]O[5]HH)(H)2{2|N<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0670	0.000	1	109.0670	0.000	1	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]P[5,6]H)(C[5]S[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]P[5,6]H)(C[5]S[5]HH)(H)2{2|N<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.1280	0.543	7	108.1280	0.295	7	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]Si[3,5]C)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]Si[3,5]C)(C[5]N[5]CH)(H)2{1|Si<4>,1|C<4>,1|N<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.3895	0.105	2	108.3895	0.011	2	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]Si[5,5]C)(C[5]N[5]CH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]Si[5,5]C)(C[5]N[5]CH)(H)2{1|C<4>,2|N<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	107.8870	0.000	1	107.8870	0.000	1	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]Si[5,6,6]C[6a])(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]Si[5,6,6]C[6a])(C[5]N[5]HH)(H)2{2|N<3>,2|O<2>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.3173	0.165	4	108.3173	0.027	4	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]Si[5]Si)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]Si[5]Si)(C[5]N[5]HH)(H)2{1|Si<4>,2|Cl<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	107.2520	0.000	1	107.2520	0.000	1	109.0575	0.953	1411	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	O[4,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](O[4,5]Ga[4,5]2)(C[5]N[5]HH)(H)2	H(C[5]O[4,5]C[5]H)	H(C[5]O[4,5]C[5]H)	C[5](O[4,5]Ga[4,5]2)(C[5]N[5]HH)(H)2{4|Cl<1>,1|N<4>,1|O<3>,2|C<4>}	H(C[5]O[4,5]C[5]H)	H(C[5]O[4,5]C[5]H)	108.6880	0.000	1	108.6880	0.000	1	108.2500	0.089	5	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	O[4,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](O[4,5]In[4,4,5]In[4,4])(C[5]O[4,5]HH)(H)2	H(C[5]O[4,5]C[5]H)	H(C[5]O[4,5]C[5]H)	C[5](O[4,5]In[4,4,5]In[4,4])(C[5]O[4,5]HH)(H)2{1|In<5>,1|O<3>,2|C<3>,3|O<2>}	H(C[5]O[4,5]C[5]H)	H(C[5]O[4,5]C[5]H)	108.1405	0.198	4	108.1405	0.039	4	108.2500	0.089	5	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	O[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](O[5,5]Nb[5x3,5,5]C[5])(C[5]S[5]HH)(H)2	H(C[5]O[5,5]C[5]H)	H(C[5]O[5,5]C[5]H)	C[5](O[5,5]Nb[5x3,5,5]C[5])(C[5]S[5]HH)(H)2{1|O<1>,1|S<2>,2|H<1>,6|C<4>}	H(C[5]O[5,5]C[5]H)	H(C[5]O[5,5]C[5]H)	108.5627	0.117	3	108.5627	0.014	3	108.5627	0.014	3	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	O[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](O[5]B[3x3,3x5,12x6]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](O[5]B[3x3,3x5,12x6]C[5])(C[5]C[5]HH)(H)2{1|Fe<10>,4|B<6>,4|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.1030	0.304	2	109.0980	0.032	10	109.0706	0.650	45	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	O[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](O[5]B[3x3,3x5,12x6]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](O[5]B[3x3,3x5,12x6]C[5])(C[5]C[5]HH)(H)2{1|Fe<8>,4|B<6>,4|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.1350	0.178	4	109.0980	0.032	10	109.0706	0.650	45	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	O[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](O[5]B[3x3,3x5,12x6]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](O[5]B[3x3,3x5,12x6]C[5])(C[5]C[5]HH)(H)2{1|Mo<9>,4|B<6>,4|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.0585	0.175	4	109.0980	0.032	10	109.0706	0.650	45	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	O[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](O[5]B[3x6]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](O[5]B[3x6]C[5])(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	111.4590	0.590	4	111.4590	0.348	4	109.0706	0.650	45	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	O[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](O[5]B[5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](O[5]B[5]C[5])(C[5]C[5]HH)(H)2{3|C<3>,4|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.0035	0.039	2	109.0035	0.002	2	109.0706	0.650	45	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	O[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](O[5]Ga[5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](O[5]Ga[5]C[5])(C[5]C[5]HH)(H)2{3|N<3>,4|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8210	0.000	1	108.8210	0.000	1	109.0706	0.650	45	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	O[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](O[5]Ga[5]Ga)(C[5]N[5]HH)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](O[5]Ga[5]Ga)(C[5]N[5]HH)(H)2{1|Cl<1>,3|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.0930	0.000	1	108.0930	0.000	1	109.0706	0.650	45	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	O[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](O[5]Ge[6]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](O[5]Ge[6]C[5])(C[5]C[5]HH)(H)2{2|N<3>,4|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9950	0.000	1	108.9950	0.000	1	109.0706	0.650	45	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	O[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](O[5]In[4,5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](O[5]In[4,5,5]C[5])(C[5]C[5]HH)(H)2{2|O<2>,3|O<3>,4|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8705	0.078	2	108.8705	0.006	2	109.0706	0.650	45	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	O[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](O[5]In[5,6,6]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](O[5]In[5,6,6]C[5])(C[5]C[5]HH)(H)2{1|Cl<1>,2|N<3>,2|O<2>,4|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6070	0.000	1	108.6070	0.000	1	109.0706	0.650	45	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	O[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](O[5]In[5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](O[5]In[5]C[5])(C[5]C[5]HH)(H)2{2|Cl<1>,1|O<2>,1|O<3>,1|S<2>,4|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8395	0.036	2	108.7466	0.022	5	109.0706	0.650	45	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	O[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](O[5]In[5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](O[5]In[5]C[5])(C[5]C[5]HH)(H)2{3|Cl<1>,2|N<3>,4|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6847	0.170	3	108.7466	0.022	5	109.0706	0.650	45	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	O[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](O[5]In[6]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](O[5]In[6]C[5])(C[5]C[5]HH)(H)2{1|Br<1>,2|C<3>,4|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.5970	0.018	2	108.8007	0.036	6	109.0706	0.650	45	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	O[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](O[5]In[6]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](O[5]In[6]C[5])(C[5]C[5]HH)(H)2{1|Cl<1>,1|O<3>,2|C<3>,4|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8805	0.040	2	108.8007	0.036	6	109.0706	0.650	45	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	O[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](O[5]In[6]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](O[5]In[6]C[5])(C[5]C[5]HH)(H)2{3|Cl<1>,2|N<3>,4|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9245	0.233	2	108.8007	0.036	6	109.0706	0.650	45	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	O[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](O[5]Nb[3,3]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](O[5]Nb[3,3]C[5])(C[5]C[5]HH)(H)2{1|Nb<7>,2|Cl<1>,1|O<3>,2|S<2>,4|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6767	0.099	3	108.6767	0.010	3	109.0706	0.650	45	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	O[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](O[5]Nb[5,5]C)(C[5]O[5]HH)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](O[5]Nb[5,5]C)(C[5]O[5]HH)(H)2{1|C<4>,2|O<3>,4|F<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.5860	0.166	4	108.5860	0.028	4	109.0706	0.650	45	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	O[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](O[5]Nb[6]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](O[5]Nb[6]C[5])(C[5]C[5]HH)(H)2{1|N<2>,1|O<3>,2|N<3>,4|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7547	0.135	3	108.7547	0.018	3	109.0706	0.650	45	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	O[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](O[5]Si[4x6]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](O[5]Si[4x6]C[5])(C[5]C[5]HH)(H)2{1|O<3>,4|H<1>,4|N<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9620	0.082	2	108.9620	0.007	2	109.0706	0.650	45	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	P[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]C[6a]P[5])(C[5]P[5]HH)(H)2	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]P[5])(C[5]P[5]HH)(H)2{1|Fe<5>,1|P<3>,3|C<3>}	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	107.7650	0.000	1	107.7783	0.081	7	107.7783	0.081	7	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	P[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]C[6a]P[5])(C[5]P[5]HH)(H)2	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]P[5])(C[5]P[5]HH)(H)2{1|P<3>,3|C<3>}	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	107.9495	0.175	4	107.7783	0.081	7	107.7783	0.081	7	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	P[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]C[6a]P[5])(C[5]P[5]HH)(H)2	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]P[5])(C[5]P[5]HH)(H)2{4|C<3>}	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	107.4425	0.230	2	107.7783	0.081	7	107.7783	0.081	7	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	S[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](S[5,5]In[4,3x5]C[5,6a])(C[5]S[5,5]HH)(H)2	H(C[5]S[5,5]C[5]H)	H(C[5]S[5,5]C[5]H)	C[5](S[5,5]In[4,3x5]C[5,6a])(C[5]S[5,5]HH)(H)2{2|O<2>,2|O<3>,3|C<3>}	H(C[5]S[5,5]C[5]H)	H(C[5]S[5,5]C[5]H)	107.3760	0.082	8	107.3760	0.007	8	107.5223	0.108	10	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	S[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](S[5,5]Nb[5x3,5,5]C[5])(C[5]S[5]HH)(H)2	H(C[5]S[5,5]C[5]H)	H(C[5]S[5,5]C[5]H)	C[5](S[5,5]Nb[5x3,5,5]C[5])(C[5]S[5]HH)(H)2{2|Cl<1>,1|S<2>,2|H<1>,6|C<4>}	H(C[5]S[5,5]C[5]H)	H(C[5]S[5,5]C[5]H)	108.1075	0.262	2	108.1075	0.069	2	107.5223	0.108	10	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	S[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](S[5,6]C[5,6]C[6])(C[5]S[5]HH)(H)2	H(C[5]S[5,6]C[5]H)	H(C[5]S[5,6]C[5]H)	C[5](S[5,6]C[5,6]C[6])(C[5]S[5]HH)(H)2{2|C<4>,3|H<1>}	H(C[5]S[5,6]C[5]H)	H(C[5]S[5,6]C[5]H)	108.3310	0.000	1	108.3310	0.000	1	108.3310	0.000	1	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	S[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](S[5]B[3x3,4,5x5,6]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](S[5]B[3x3,4,5x5,6]C[5])(C[5]C[5]HH)(H)2{1|Mn<8>,1|C<5>,3|B<6>,4|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.7935	0.046	4	108.7935	0.002	4	107.9047	0.308	18	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	S[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](S[5]In[5,5]C)(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](S[5]In[5,5]C)(C[5]S[5]HH)(H)2{2|Br<1>,1|C<4>,2|S<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	107.4292	0.128	4	107.4480	0.010	8	107.9047	0.308	18	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	S[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](S[5]In[5,5]C)(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](S[5]In[5,5]C)(C[5]S[5]HH)(H)2{2|Cl<1>,1|C<4>,2|S<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	107.4668	0.079	4	107.4480	0.010	8	107.9047	0.308	18	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	S[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](S[5]Nb[5,5]C)(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](S[5]Nb[5,5]C)(C[5]S[5]HH)(H)2{1|C<4>,2|S<3>,4|F<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	107.9375	0.325	4	107.9210	0.066	6	107.9047	0.308	18	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	S[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](S[5]Nb[5,5]C)(C[5]S[5]HH)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](S[5]Nb[5,5]C)(C[5]S[5]HH)(H)2{4|Cl<1>,1|C<4>,2|S<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	107.8880	0.086	2	107.9210	0.066	6	107.9047	0.308	18	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:4:1:1:	4:	4:	Se[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](Se[5,5]Se[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]Se[5,5]C[5]H)	H(C[5]Se[5,5]C[5]H)	C[5](Se[5,5]Se[5,5]C[5])(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	H(C[5]Se[5,5]C[5]H)	H(C[5]Se[5,5]C[5]H)	108.0777	0.371	3	108.0777	0.138	3	108.0777	0.138	3	108.9541	1.171	4569	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:5:1:1:	4:	4:	C[5,6a]-3:C[5]-5:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Ru3)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Ru3)(H)2{1|Ru<5>,1|C<4>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.9150	0.000	1	108.9535	0.003	2	108.9535	0.003	2	108.4905	0.151	11	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:5:1:1:	4:	4:	C[5,6a]-3:C[5]-5:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Ru3)(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Ru3)(H)2{1|Ru<5>,1|H<1>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	108.9920	0.000	1	108.9535	0.003	2	108.9535	0.003	2	108.4905	0.151	11	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:5:1:1:	4:	4:	N[5,6]-3:Si[5]-5:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CCF)(H)2	H(C[5]N[5,6]Si[5]H)	H(C[5]N[5,6]Si[5]H)	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CCF)(H)2{1|C<4>,2|C<3>}	H(C[5]N[5,6]Si[5]H)	H(C[5]N[5,6]Si[5]H)	107.9220	0.000	1	107.9220	0.000	1	108.3877	0.123	9	108.4905	0.151	11	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:5:1:1:	4:	4:	N[5,6]-3:Si[5]-5:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CCO)(H)2	H(C[5]N[5,6]Si[5]H)	H(C[5]N[5,6]Si[5]H)	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CCO)(H)2{1|C<4>,2|C<3>}	H(C[5]N[5,6]Si[5]H)	H(C[5]N[5,6]Si[5]H)	108.3930	0.000	1	108.3918	0.008	4	108.3877	0.123	9	108.4905	0.151	11	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:5:1:1:	4:	4:	N[5,6]-3:Si[5]-5:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CCO)(H)2	H(C[5]N[5,6]Si[5]H)	H(C[5]N[5,6]Si[5]H)	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CCO)(H)2{1|Cl<1>,2|C<3>}	H(C[5]N[5,6]Si[5]H)	H(C[5]N[5,6]Si[5]H)	108.3050	0.000	1	108.3918	0.008	4	108.3877	0.123	9	108.4905	0.151	11	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:5:1:1:	4:	4:	N[5,6]-3:Si[5]-5:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CCO)(H)2	H(C[5]N[5,6]Si[5]H)	H(C[5]N[5,6]Si[5]H)	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CCO)(H)2{1|O<1>,2|C<4>}	H(C[5]N[5,6]Si[5]H)	H(C[5]N[5,6]Si[5]H)	108.4345	0.118	2	108.3918	0.008	4	108.3877	0.123	9	108.4905	0.151	11	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:5:1:1:	4:	4:	N[5,6]-3:Si[5]-5:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]ClCC)(H)2	H(C[5]N[5,6]Si[5]H)	H(C[5]N[5,6]Si[5]H)	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]ClCC)(H)2{1|Cl<1>,2|C<3>}	H(C[5]N[5,6]Si[5]H)	H(C[5]N[5,6]Si[5]H)	108.2995	0.006	2	108.2995	0.000	2	108.3877	0.123	9	108.4905	0.151	11	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:5:1:1:	4:	4:	N[5,6]-3:Si[5]-5:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]F3)(H)2	H(C[5]N[5,6]Si[5]H)	H(C[5]N[5,6]Si[5]H)	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]F3)(H)2{1|O<1>,2|C<4>}	H(C[5]N[5,6]Si[5]H)	H(C[5]N[5,6]Si[5]H)	108.1840	0.000	1	108.1840	0.000	1	108.3877	0.123	9	108.4905	0.151	11	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	3:5:1:1:	4:	4:	N[5,6]-3:Si[5]-5:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[6,6a]C[5,6])(Si[5]O[5]CCO)(H)2	H(C[5]N[5,6]Si[5]H)	H(C[5]N[5,6]Si[5]H)	C[5](N[5,6]C[6,6a]C[5,6])(Si[5]O[5]CCO)(H)2{3|C<3>}	H(C[5]N[5,6]Si[5]H)	H(C[5]N[5,6]Si[5]H)	109.2170	0.000	1	109.2170	0.000	1	108.3877	0.123	9	108.4905	0.151	11	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	B[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](B[5]C[6a]2O[5])(O[5]C[5])(H)2	H(C[5]B[5]O[5]H)	H(C[5]B[5]O[5]H)	C[5](B[5]C[6a]2O[5])(O[5]C[5])(H)2{1|O<2>,4|C<3>}	H(C[5]B[5]O[5]H)	H(C[5]B[5]O[5]H)	109.1920	0.000	1	109.1920	0.000	1	109.1920	0.000	1	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[3,5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5,5]C[5,6a]C[3,5]2)(O[5]C[5])(H)2	H(C[5]C[3,5,5]O[5]H)	H(C[5]C[3,5,5]O[5]H)	C[5](C[3,5,5]C[5,6a]C[3,5]2)(O[5]C[5])(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[5]C[3,5,5]O[5]H)	H(C[5]C[3,5,5]O[5]H)	108.8340	0.033	2	108.8340	0.001	2	108.8340	0.001	2	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[3,5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5])(H)2	H(C[5]C[3,5]N[5]H)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5])(H)2{1|C<3>,1|S<2>,2|H<1>}	H(C[5]C[3,5]N[5]H)	H(C[5]C[3,5]N[5]H)	108.4995	0.046	2	108.5335	0.002	4	108.5335	0.002	4	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[3,5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5])(H)2	H(C[5]C[3,5]N[5]H)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5])(H)2{1|H<1>,3|C<3>}	H(C[5]C[3,5]N[5]H)	H(C[5]C[3,5]N[5]H)	108.5675	0.019	2	108.5335	0.002	4	108.5335	0.002	4	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[3,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5,5]C[3,5]H)(O[5]C[5,5])(H)2	H(C[5]C[3,5]O[5]H)	H(C[5]C[3,5]O[5]H)	C[5](C[3,5]C[3,5,5]C[3,5]H)(O[5]C[5,5])(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[5]C[3,5]O[5]H)	H(C[5]C[3,5]O[5]H)	116.3130	0.000	1	116.3130	0.000	1	109.4868	4.329	18	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[3,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(O[5]C[5])(H)2	H(C[5]C[3,5]O[5]H)	H(C[5]C[3,5]O[5]H)	C[5](C[3,5]C[3,5]C[3]H)(O[5]C[5])(H)2{1|C<2>,1|C<3>,1|H<1>,1|O<1>}	H(C[5]C[3,5]O[5]H)	H(C[5]C[3,5]O[5]H)	108.7000	0.000	1	109.1476	2.328	11	109.4868	4.329	18	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[3,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(O[5]C[5])(H)2	H(C[5]C[3,5]O[5]H)	H(C[5]C[3,5]O[5]H)	C[5](C[3,5]C[3,5]C[3]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[3,5]O[5]H)	H(C[5]C[3,5]O[5]H)	108.7970	0.000	1	109.1476	2.328	11	109.4868	4.329	18	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[3,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(O[5]C[5])(H)2	H(C[5]C[3,5]O[5]H)	H(C[5]C[3,5]O[5]H)	C[5](C[3,5]C[3,5]C[3]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[5]C[3,5]O[5]H)	H(C[5]C[3,5]O[5]H)	108.6565	0.019	2	109.1476	2.328	11	109.4868	4.329	18	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[3,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(O[5]C[5])(H)2	H(C[5]C[3,5]O[5]H)	H(C[5]C[3,5]O[5]H)	C[5](C[3,5]C[3,5]C[3]H)(O[5]C[5])(H)2{1|C<3>,1|O<1>,2|H<1>}	H(C[5]C[3,5]O[5]H)	H(C[5]C[3,5]O[5]H)	109.5443	2.058	6	109.1476	2.328	11	109.4868	4.329	18	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[3,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(O[5]C[5])(H)2	H(C[5]C[3,5]O[5]H)	H(C[5]C[3,5]O[5]H)	C[5](C[3,5]C[3,5]C[3]H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[3,5]O[5]H)	H(C[5]C[3,5]O[5]H)	108.5480	0.000	1	109.1476	2.328	11	109.4868	4.329	18	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[3,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[6a]C[3])(O[5]C[5])(H)2	H(C[5]C[3,5]O[5]H)	H(C[5]C[3,5]O[5]H)	C[5](C[3,5]C[3,5]C[6a]C[3])(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[3,5]O[5]H)	H(C[5]C[3,5]O[5]H)	108.6690	0.000	1	108.6690	0.000	1	109.4868	4.329	18	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[3,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]N[3]H)(O[5]C[5])(H)2	H(C[5]C[3,5]O[5]H)	H(C[5]C[3,5]O[5]H)	C[5](C[3,5]C[3,5]N[3]H)(O[5]C[5])(H)2{1|S<4>,3|H<1>}	H(C[5]C[3,5]O[5]H)	H(C[5]C[3,5]O[5]H)	109.5130	0.000	1	109.5130	0.000	1	109.4868	4.329	18	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[3,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]C)(O[5]C[5])(H)2	H(C[5]C[3,5]O[5]H)	H(C[5]C[3,5]O[5]H)	C[5](C[3,5]C[3,5]O[3]C)(O[5]C[5])(H)2{1|C<3>,2|H<1>}	H(C[5]C[3,5]O[5]H)	H(C[5]C[3,5]O[5]H)	108.6470	0.061	2	108.6470	0.004	2	109.4868	4.329	18	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[3,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3]2N[5])(O[5]C[5])(H)2	H(C[5]C[3,5]O[5]H)	H(C[5]C[3,5]O[5]H)	C[5](C[3,5]C[3]2N[5])(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[3,5]O[5]H)	H(C[5]C[3,5]O[5]H)	109.4610	0.000	1	109.4610	0.000	1	109.4868	4.329	18	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[3,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3]C[5]O[3])(O[5]C[5])(H)2	H(C[5]C[3,5]O[5]H)	H(C[5]C[3,5]O[5]H)	C[5](C[3,5]C[3]C[5]O[3])(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[3,5]O[5]H)	H(C[5]C[3,5]O[5]H)	108.8890	0.000	1	108.8890	0.000	1	109.4868	4.329	18	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[3,5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(S[5]C[5])(H)2	H(C[5]C[3,5]S[5]H)	H(C[5]C[3,5]S[5]H)	C[5](C[3,5]C[3,5]C[3]H)(S[5]C[5])(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[3,5]S[5]H)	H(C[5]C[3,5]S[5]H)	108.6130	0.000	1	108.6130	0.000	1	108.6130	0.000	1	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[3x5,6,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5,6,6]C[5,5,6,6]C[5,6,6]O[5,5])(O[5]C[5])(H)2	H(C[5]C[3x5,6,6]O[5]H)	H(C[5]C[3x5,6,6]O[5]H)	C[5](C[3x5,6,6]C[5,5,6,6]C[5,6,6]O[5,5])(O[5]C[5])(H)2{1|O<1>,2|C<3>,4|C<4>}	H(C[5]C[3x5,6,6]O[5]H)	H(C[5]C[3x5,6,6]O[5]H)	108.9730	0.000	1	108.9730	0.000	1	108.9730	0.000	1	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[3x5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[3,5,6]C[5,5,6]O[5,5])(O[5]C[5])(H)2	H(C[5]C[3x5,6]O[5]H)	H(C[5]C[3x5,6]O[5]H)	C[5](C[3x5,6]C[3,5,6]C[5,5,6]O[5,5])(O[5]C[5])(H)2{1|Br<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[3x5,6]O[5]H)	H(C[5]C[3x5,6]O[5]H)	108.6960	0.000	1	108.6960	0.000	1	108.7101	0.036	7	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[3x5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[3x5,6]2C[5,6])(O[5]C[5])(H)2	H(C[5]C[3x5,6]O[5]H)	H(C[5]C[3x5,6]O[5]H)	C[5](C[3x5,6]C[3x5,6]2C[5,6])(O[5]C[5])(H)2{1|O<2>,2|H<1>,3|C<3>,4|C<4>}	H(C[5]C[3x5,6]O[5]H)	H(C[5]C[3x5,6]O[5]H)	108.6710	0.000	1	108.6710	0.000	1	108.7101	0.036	7	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[3x5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[3x5,6]C[5,5,6]2)(O[5]C[5,6])(H)2	H(C[5]C[3x5,6]O[5]H)	H(C[5]C[3x5,6]O[5]H)	C[5](C[3x5,6]C[3x5,6]C[5,5,6]2)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,3|C<3>,5|C<4>}	H(C[5]C[3x5,6]O[5]H)	H(C[5]C[3x5,6]O[5]H)	108.4840	0.000	1	108.4840	0.000	1	108.7101	0.036	7	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[3x5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[3x5,6]C[5,5,6]O[5,6])(O[5]C[5])(H)2	H(C[5]C[3x5,6]O[5]H)	H(C[5]C[3x5,6]O[5]H)	C[5](C[3x5,6]C[3x5,6]C[5,5,6]O[5,6])(O[5]C[5])(H)2{1|N<3>,2|H<1>,5|C<4>}	H(C[5]C[3x5,6]O[5]H)	H(C[5]C[3x5,6]O[5]H)	108.8830	0.000	1	108.8830	0.000	1	108.7101	0.036	7	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[3x5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[3x5,6]C[5,6]O[5,5])(O[5]C[5])(H)2	H(C[5]C[3x5,6]O[5]H)	H(C[5]C[3x5,6]O[5]H)	C[5](C[3x5,6]C[3x5,6]C[5,6]O[5,5])(O[5]C[5])(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[3x5,6]O[5]H)	H(C[5]C[3x5,6]O[5]H)	108.7230	0.000	1	108.7230	0.000	1	108.7101	0.036	7	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[3x5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]2C[5,5])(O[5]C[5])(H)2	H(C[5]C[3x5,6]O[5]H)	H(C[5]C[3x5,6]O[5]H)	C[5](C[3x5,6]C[5,5,6]2C[5,5])(O[5]C[5])(H)2{1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[3x5,6]O[5]H)	H(C[5]C[3x5,6]O[5]H)	108.5050	0.000	1	108.5050	0.000	1	108.7101	0.036	7	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[3x5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(O[5]C[5])(H)2	H(C[5]C[3x5,6]O[5]H)	H(C[5]C[3x5,6]O[5]H)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[3x5,6]O[5]H)	H(C[5]C[3x5,6]O[5]H)	109.0090	0.000	1	109.0090	0.000	1	108.7101	0.036	7	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[3x5,6]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(S[5]C[5])(H)2	H(C[5]C[3x5,6]S[5]H)	H(C[5]C[3x5,6]S[5]H)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(S[5]C[5])(H)2{1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[3x5,6]S[5]H)	H(C[5]C[3x5,6]S[5]H)	108.4910	0.000	1	108.6635	0.060	2	108.6635	0.060	2	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[3x5,6]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(S[5]C[5])(H)2	H(C[5]C[3x5,6]S[5]H)	H(C[5]C[3x5,6]S[5]H)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(S[5]C[5])(H)2{1|Cl<1>,1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[3x5,6]S[5]H)	H(C[5]C[3x5,6]S[5]H)	108.8360	0.000	1	108.6635	0.060	2	108.6635	0.060	2	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[3x5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5]C[3x5]C[5]2)(O[5]C[5])(H)2	H(C[5]C[3x5]O[5]H)	H(C[5]C[3x5]O[5]H)	C[5](C[3x5]C[3x5]C[5]2)(O[5]C[5])(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[3x5]O[5]H)	H(C[5]C[3x5]O[5]H)	108.6250	0.000	1	108.7640	0.021	3	109.0125	1.092	8	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[3x5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5]C[3x5]C[5]2)(O[5]C[5])(H)2	H(C[5]C[3x5]O[5]H)	H(C[5]C[3x5]O[5]H)	C[5](C[3x5]C[3x5]C[5]2)(O[5]C[5])(H)2{1|N<4>,3|C<4>,6|H<1>}	H(C[5]C[3x5]O[5]H)	H(C[5]C[3x5]O[5]H)	108.7540	0.000	1	108.7640	0.021	3	109.0125	1.092	8	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[3x5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5]C[3x5]C[5]2)(O[5]C[5])(H)2	H(C[5]C[3x5]O[5]H)	H(C[5]C[3x5]O[5]H)	C[5](C[3x5]C[3x5]C[5]2)(O[5]C[5])(H)2{2|C<4>,2|N<4>,6|H<1>}	H(C[5]C[3x5]O[5]H)	H(C[5]C[3x5]O[5]H)	108.9130	0.000	1	108.7640	0.021	3	109.0125	1.092	8	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[3x5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,5]2C[5])(O[5]C[5])(H)2	H(C[5]C[3x5]O[5]H)	H(C[5]C[3x5]O[5]H)	C[5](C[3x5]C[5,5]2C[5])(O[5]C[5])(H)2{1|C<3>,1|O<1>,2|H<1>,2|O<2>,3|C<4>}	H(C[5]C[3x5]O[5]H)	H(C[5]C[3x5]O[5]H)	108.7120	0.000	1	108.7120	0.000	1	109.0125	1.092	8	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[3x5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,5]N[5,5]C[5])(O[5]C[5])(H)2	H(C[5]C[3x5]O[5]H)	H(C[5]C[3x5]O[5]H)	C[5](C[3x5]C[5,5]N[5,5]C[5])(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>,2|O<2>,3|C<4>}	H(C[5]C[3x5]O[5]H)	H(C[5]C[3x5]O[5]H)	111.5730	0.000	1	111.5730	0.000	1	109.0125	1.092	8	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[3x5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,6a]C[5,5]2)(O[5]C[5])(H)2	H(C[5]C[3x5]O[5]H)	H(C[5]C[3x5]O[5]H)	C[5](C[3x5]C[5,6a]C[5,5]2)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	H(C[5]C[3x5]O[5]H)	H(C[5]C[3x5]O[5]H)	108.4660	0.000	1	108.5077	0.002	3	109.0125	1.092	8	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[3x5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,6a]C[5,5]2)(O[5]C[5])(H)2	H(C[5]C[3x5]O[5]H)	H(C[5]C[3x5]O[5]H)	C[5](C[3x5]C[5,6a]C[5,5]2)(O[5]C[5])(H)2{1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[3x5]O[5]H)	H(C[5]C[3x5]O[5]H)	108.5520	0.000	1	108.5077	0.002	3	109.0125	1.092	8	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[3x5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,6a]C[5,5]2)(O[5]C[5])(H)2	H(C[5]C[3x5]O[5]H)	H(C[5]C[3x5]O[5]H)	C[5](C[3x5]C[5,6a]C[5,5]2)(O[5]C[5])(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[3x5]O[5]H)	H(C[5]C[3x5]O[5]H)	108.5050	0.000	1	108.5077	0.002	3	109.0125	1.092	8	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[4,5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5,5]C[4,5,5]C[4,5]C[5])(O[5]C[5,5])(H)2	H(C[5]C[4,5,5]O[5]H)	H(C[5]C[4,5,5]O[5]H)	C[5](C[4,5,5]C[4,5,5]C[4,5]C[5])(O[5]C[5,5])(H)2{1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[4,5,5]O[5]H)	H(C[5]C[4,5,5]O[5]H)	107.1760	0.000	1	107.1760	0.000	1	108.4666	0.525	5	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[4,5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5,5]C[4,5,5]C[4]C[5])(O[5]C[5])(H)2	H(C[5]C[4,5,5]O[5]H)	H(C[5]C[4,5,5]O[5]H)	C[5](C[4,5,5]C[4,5,5]C[4]C[5])(O[5]C[5])(H)2{1|N<4>,2|C<4>,6|H<1>}	H(C[5]C[4,5,5]O[5]H)	H(C[5]C[4,5,5]O[5]H)	108.8325	0.101	2	108.8325	0.010	2	108.4666	0.525	5	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[4,5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5,5]C[4,5,6]2O[5])(O[5]C[5])(H)2	H(C[5]C[4,5,5]O[5]H)	H(C[5]C[4,5,5]O[5]H)	C[5](C[4,5,5]C[4,5,6]2O[5])(O[5]C[5])(H)2{1|N<3>,2|H<1>,4|C<4>}	H(C[5]C[4,5,5]O[5]H)	H(C[5]C[4,5,5]O[5]H)	108.7730	0.000	1	108.7730	0.000	1	108.4666	0.525	5	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[4,5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5,5]C[4,5]C[5,5]C[4])(O[5]C[5])(H)2	H(C[5]C[4,5,5]O[5]H)	H(C[5]C[4,5,5]O[5]H)	C[5](C[4,5,5]C[4,5]C[5,5]C[4])(O[5]C[5])(H)2{1|C<4>,1|S<2>,2|C<3>,4|H<1>}	H(C[5]C[4,5,5]O[5]H)	H(C[5]C[4,5,5]O[5]H)	108.7190	0.000	1	108.7190	0.000	1	108.4666	0.525	5	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[4,5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5,6]C[4,5,5]C[4,6,6]N[6])(O[5]C[5])(H)2	H(C[5]C[4,5,6]O[5]H)	H(C[5]C[4,5,6]O[5]H)	C[5](C[4,5,6]C[4,5,5]C[4,6,6]N[6])(O[5]C[5])(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[4,5,6]O[5]H)	H(C[5]C[4,5,6]O[5]H)	108.4220	0.000	1	108.5945	0.060	2	108.6549	0.046	7	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[4,5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5,6]C[4,5,5]C[4,6,6]N[6])(O[5]C[5])(H)2	H(C[5]C[4,5,6]O[5]H)	H(C[5]C[4,5,6]O[5]H)	C[5](C[4,5,6]C[4,5,5]C[4,6,6]N[6])(O[5]C[5])(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[4,5,6]O[5]H)	H(C[5]C[4,5,6]O[5]H)	108.7670	0.000	1	108.5945	0.060	2	108.6549	0.046	7	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[4,5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5,6]C[4,5,6,6]C[4,6,6]C)(O[5]C[5,6,6])(H)2	H(C[5]C[4,5,6]O[5]H)	H(C[5]C[4,5,6]O[5]H)	C[5](C[4,5,6]C[4,5,6,6]C[4,6,6]C)(O[5]C[5,6,6])(H)2{1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[4,5,6]O[5]H)	H(C[5]C[4,5,6]O[5]H)	108.7400	0.000	1	108.7400	0.000	1	108.6549	0.046	7	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[4,5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5,6]C[4,5,6]C[4,6]C[6])(O[5]C[5])(H)2	H(C[5]C[4,5,6]O[5]H)	H(C[5]C[4,5,6]O[5]H)	C[5](C[4,5,6]C[4,5,6]C[4,6]C[6])(O[5]C[5])(H)2{1|O<1>,2|H<1>,2|N<3>,3|C<4>}	H(C[5]C[4,5,6]O[5]H)	H(C[5]C[4,5,6]O[5]H)	108.8730	0.000	1	108.8730	0.000	1	108.6549	0.046	7	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[4,5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5,6]C[4,5]C[4,6]C[6])(O[5]C[5])(H)2	H(C[5]C[4,5,6]O[5]H)	H(C[5]C[4,5,6]O[5]H)	C[5](C[4,5,6]C[4,5]C[4,6]C[6])(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	H(C[5]C[4,5,6]O[5]H)	H(C[5]C[4,5,6]O[5]H)	108.9000	0.000	1	108.9000	0.000	1	108.6549	0.046	7	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[4,5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5,6]C[4,6,6]2C[5])(O[5]C[5,5])(H)2	H(C[5]C[4,5,6]O[5]H)	H(C[5]C[4,5,6]O[5]H)	C[5](C[4,5,6]C[4,6,6]2C[5])(O[5]C[5,5])(H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	H(C[5]C[4,5,6]O[5]H)	H(C[5]C[4,5,6]O[5]H)	108.4410	0.017	2	108.4410	0.000	2	108.6549	0.046	7	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[4,5]-4:C[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[3,4,5]H[4]H)(C[5]C[3,5])(H)2	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[3,4,5]H[4]H)(C[5]C[3,5])(H)2{1|C<3>,1|H<1>,2|H<2>}	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	108.1420	0.000	1	108.1420	0.000	1	108.1420	0.000	1	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[4,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4,4,5]C[4]H)(O[5]C[5])(H)2	H(C[5]C[4,5]O[5]H)	H(C[5]C[4,5]O[5]H)	C[5](C[4,5]C[4,4,5]C[4]H)(O[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[4,5]O[5]H)	H(C[5]C[4,5]O[5]H)	108.6540	0.000	1	108.6540	0.000	1	108.7627	0.013	6	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[4,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4,5,6]C[4]H)(O[5]C[5])(H)2	H(C[5]C[4,5]O[5]H)	H(C[5]C[4,5]O[5]H)	C[5](C[4,5]C[4,5,6]C[4]H)(O[5]C[5])(H)2{1|C<2>,1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[4,5]O[5]H)	H(C[5]C[4,5]O[5]H)	108.7980	0.000	1	108.7980	0.000	1	108.7627	0.013	6	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[4,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(H)2	H(C[5]C[4,5]O[5]H)	H(C[5]C[4,5]O[5]H)	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[4,5]O[5]H)	H(C[5]C[4,5]O[5]H)	108.7925	0.217	2	108.7760	0.024	3	108.7627	0.013	6	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[4,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(H)2	H(C[5]C[4,5]O[5]H)	H(C[5]C[4,5]O[5]H)	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(H)2{1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[4,5]O[5]H)	H(C[5]C[4,5]O[5]H)	108.7430	0.000	1	108.7760	0.024	3	108.7627	0.013	6	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[4,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[5,6]C[4]2)(O[5]C[5])(H)2	H(C[5]C[4,5]O[5]H)	H(C[5]C[4,5]O[5]H)	C[5](C[4,5]C[5,6]C[4]2)(O[5]C[5])(H)2{2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[4,5]O[5]H)	H(C[5]C[4,5]O[5]H)	108.7960	0.000	1	108.7960	0.000	1	108.7627	0.013	6	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,3x6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,3x6]C[5,6,6]2C[6,6])(O[5]C[5,6])(H)2	H(C[5]C[5,3x6]O[5]H)	H(C[5]C[5,3x6]O[5]H)	C[5](C[5,3x6]C[5,6,6]2C[6,6])(O[5]C[5,6])(H)2{3|H<1>,3|O<2>,4|C<4>}	H(C[5]C[5,3x6]O[5]H)	H(C[5]C[5,3x6]O[5]H)	108.5515	0.009	2	108.5515	0.000	2	109.5884	3.155	15	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,3x6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,3x6]C[5,6,6]2O[6,6])(O[5]C[5])(H)2	H(C[5]C[5,3x6]O[5]H)	H(C[5]C[5,3x6]O[5]H)	C[5](C[5,3x6]C[5,6,6]2O[6,6])(O[5]C[5])(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[5]C[5,3x6]O[5]H)	H(C[5]C[5,3x6]O[5]H)	108.6555	0.032	2	108.6703	0.001	3	109.5884	3.155	15	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,3x6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,3x6]C[5,6,6]2O[6,6])(O[5]C[5])(H)2	H(C[5]C[5,3x6]O[5]H)	H(C[5]C[5,3x6]O[5]H)	C[5](C[5,3x6]C[5,6,6]2O[6,6])(O[5]C[5])(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,3x6]O[5]H)	H(C[5]C[5,3x6]O[5]H)	108.7000	0.000	1	108.6703	0.001	3	109.5884	3.155	15	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,3x6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(O[5]C[5,6])(H)2	H(C[5]C[5,3x6]O[5]H)	H(C[5]C[5,3x6]O[5]H)	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(O[5]C[5,6])(H)2{1|C<3>,1|O<2>,3|H<1>,5|C<4>}	H(C[5]C[5,3x6]O[5]H)	H(C[5]C[5,3x6]O[5]H)	109.6935	1.340	2	109.4230	1.117	3	109.5884	3.155	15	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,3x6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(O[5]C[5,6])(H)2	H(C[5]C[5,3x6]O[5]H)	H(C[5]C[5,3x6]O[5]H)	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(O[5]C[5,6])(H)2{1|C<3>,2|H<1>,3|O<2>,4|C<4>}	H(C[5]C[5,3x6]O[5]H)	H(C[5]C[5,3x6]O[5]H)	108.8820	0.000	1	109.4230	1.117	3	109.5884	3.155	15	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,3x6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,3x6]C[5,6,6]N[5,6,6]C[6,6])(O[5]C[5])(H)2	H(C[5]C[5,3x6]O[5]H)	H(C[5]C[5,3x6]O[5]H)	C[5](C[5,3x6]C[5,6,6]N[5,6,6]C[6,6])(O[5]C[5])(H)2{1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,3x6]O[5]H)	H(C[5]C[5,3x6]O[5]H)	109.6940	0.000	1	109.6940	0.000	1	109.5884	3.155	15	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,3x6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,3x6]C[6,6,6a]C[5,6,6]C[3x6])(O[5]C[5])(H)2	H(C[5]C[5,3x6]O[5]H)	H(C[5]C[5,3x6]O[5]H)	C[5](C[5,3x6]C[6,6,6a]C[5,6,6]C[3x6])(O[5]C[5])(H)2{1|O<1>,5|C<3>}	H(C[5]C[5,3x6]O[5]H)	H(C[5]C[5,3x6]O[5]H)	115.4770	0.000	1	115.4770	0.000	1	109.5884	3.155	15	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,3x6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,3x6]N[5,6,6]C[6,6]2)(O[5]C[5])(H)2	H(C[5]C[5,3x6]O[5]H)	H(C[5]C[5,3x6]O[5]H)	C[5](C[5,3x6]N[5,6,6]C[6,6]2)(O[5]C[5])(H)2{1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,3x6]O[5]H)	H(C[5]C[5,3x6]O[5]H)	109.4563	0.895	4	109.4563	0.801	4	109.5884	3.155	15	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,3x6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,3x6]N[5,6,6]C[6,6]2)(O[5]S[5])(H)2	H(C[5]C[5,3x6]O[5]H)	H(C[5]C[5,3x6]O[5]H)	C[5](C[5,3x6]N[5,6,6]C[6,6]2)(O[5]S[5])(H)2{2|O<1>,3|C<4>,4|H<1>}	H(C[5]C[5,3x6]O[5]H)	H(C[5]C[5,3x6]O[5]H)	109.4470	0.000	1	109.4470	0.000	1	109.5884	3.155	15	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,3x6]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(S[5]C[5])(H)2	H(C[5]C[5,3x6]S[5]H)	H(C[5]C[5,3x6]S[5]H)	C[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(S[5]C[5])(H)2{2|H<1>,5|C<3>}	H(C[5]C[5,3x6]S[5]H)	H(C[5]C[5,3x6]S[5]H)	108.6280	0.000	1	108.6280	0.000	1	108.6280	0.000	1	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5,3x6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,3x6]C[5,3x6]C[5,6,6]2)(O[5]C[5])(H)2	H(C[5]C[5,5,3x6]O[5]H)	H(C[5]C[5,5,3x6]O[5]H)	C[5](C[5,5,3x6]C[5,3x6]C[5,6,6]2)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>,6|C<4>}	H(C[5]C[5,5,3x6]O[5]H)	H(C[5]C[5,5,3x6]O[5]H)	108.7905	0.011	2	108.7905	0.000	2	108.7905	0.000	2	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5,6]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(N[5]N[5])(H)2	H(C[5]C[5,5,6]N[5]H)	H(C[5]C[5,5,6]N[5]H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(N[5]N[5])(H)2{4|C<4>,4|H<1>}	H(C[5]C[5,5,6]N[5]H)	H(C[5]C[5,5,6]N[5]H)	108.8030	0.000	1	108.8030	0.000	1	108.8030	0.000	1	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,5,6]C)(O[5]C[5,5,6])(H)2	H(C[5]C[5,5,6]O[5]H)	H(C[5]C[5,5,6]O[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,5,6]C)(O[5]C[5,5,6])(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[5]C[5,5,6]O[5]H)	H(C[5]C[5,5,6]O[5]H)	108.4465	0.080	2	108.4465	0.006	2	108.9866	2.616	41	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]Br)(O[5]C[5])(H)2	H(C[5]C[5,5,6]O[5]H)	H(C[5]C[5,5,6]O[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]Br)(O[5]C[5])(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,5,6]O[5]H)	H(C[5]C[5,5,6]O[5]H)	108.8200	0.000	1	108.8200	0.000	1	108.9866	2.616	41	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(O[5]C[5,5,6])(H)2	H(C[5]C[5,5,6]O[5]H)	H(C[5]C[5,5,6]O[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(O[5]C[5,5,6])(H)2{1|H<1>,1|P<4>,5|C<4>}	H(C[5]C[5,5,6]O[5]H)	H(C[5]C[5,5,6]O[5]H)	109.1497	2.958	7	109.1497	8.752	7	108.9866	2.616	41	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]N[6])(O[5]C[5])(H)2	H(C[5]C[5,5,6]O[5]H)	H(C[5]C[5,5,6]O[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]N[6])(O[5]C[5])(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5,5,6]O[5]H)	H(C[5]C[5,5,6]O[5]H)	108.8610	0.000	1	108.8610	0.000	1	108.9866	2.616	41	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]O[5,6]H)(O[5]C[5,5,6])(H)2	H(C[5]C[5,5,6]O[5]H)	H(C[5]C[5,5,6]O[5]H)	C[5](C[5,5,6]C[3x5,6]O[5,6]H)(O[5]C[5,5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5,6]O[5]H)	H(C[5]C[5,5,6]O[5]H)	108.7200	0.000	1	108.7200	0.000	1	108.9866	2.616	41	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,3x6]C[3,5]C[5,6])(O[5]C[5])(H)2	H(C[5]C[5,5,6]O[5]H)	H(C[5]C[5,5,6]O[5]H)	C[5](C[5,5,6]C[5,3x6]C[3,5]C[5,6])(O[5]C[5])(H)2{1|C<3>,1|O<1>,1|O<2>,5|C<4>}	H(C[5]C[5,5,6]O[5]H)	H(C[5]C[5,5,6]O[5]H)	108.5410	0.018	2	108.5410	0.000	2	108.9866	2.616	41	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6,6]C[5,6]C[5])(O[5]C[5,5,6])(H)2	H(C[5]C[5,5,6]O[5]H)	H(C[5]C[5,5,6]O[5]H)	C[5](C[5,5,6]C[5,5,6,6]C[5,6]C[5])(O[5]C[5,5,6])(H)2{1|O<2>,2|H<1>,7|C<4>}	H(C[5]C[5,5,6]O[5]H)	H(C[5]C[5,5,6]O[5]H)	109.8283	2.493	3	109.8283	6.216	3	108.9866	2.616	41	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(H)2	H(C[5]C[5,5,6]O[5]H)	H(C[5]C[5,5,6]O[5]H)	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5,5,6]O[5]H)	H(C[5]C[5,5,6]O[5]H)	108.4815	0.069	2	108.4815	0.005	2	108.9866	2.616	41	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]C)(O[5]C[5,6])(H)2	H(C[5]C[5,5,6]O[5]H)	H(C[5]C[5,5,6]O[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6]C)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[5]C[5,5,6]O[5]H)	H(C[5]C[5,5,6]O[5]H)	108.4780	0.076	2	108.4780	0.006	2	108.9866	2.616	41	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]C[6])(O[5]C[5])(H)2	H(C[5]C[5,5,6]O[5]H)	H(C[5]C[5,5,6]O[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<2>,2|O<1>,3|C<4>}	H(C[5]C[5,5,6]O[5]H)	H(C[5]C[5,5,6]O[5]H)	108.6410	0.000	1	108.6410	0.000	1	108.9866	2.616	41	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(O[5]C[5])(H)2	H(C[5]C[5,5,6]O[5]H)	H(C[5]C[5,5,6]O[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(O[5]C[5])(H)2{1|C<3>,1|O<2>,2|F<1>,4|C<4>}	H(C[5]C[5,5,6]O[5]H)	H(C[5]C[5,5,6]O[5]H)	109.1825	0.097	2	109.1825	0.009	2	108.9866	2.616	41	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(O[5]C[5,6])(H)2	H(C[5]C[5,5,6]O[5]H)	H(C[5]C[5,5,6]O[5]H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(O[5]C[5,6])(H)2{1|C<4>,2|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5,5,6]O[5]H)	H(C[5]C[5,5,6]O[5]H)	108.7490	0.000	1	108.7490	0.000	1	108.9866	2.616	41	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(O[5]C[5])(H)2	H(C[5]C[5,5,6]O[5]H)	H(C[5]C[5,5,6]O[5]H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(O[5]C[5])(H)2{1|N<4>,3|C<4>,6|H<1>}	H(C[5]C[5,5,6]O[5]H)	H(C[5]C[5,5,6]O[5]H)	108.7135	0.297	4	108.7135	0.088	4	108.9866	2.616	41	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(O[5]C[5])(H)2	H(C[5]C[5,5,6]O[5]H)	H(C[5]C[5,5,6]O[5]H)	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[5]C[5,5,6]O[5]H)	H(C[5]C[5,5,6]O[5]H)	108.6215	0.015	2	108.7263	0.033	3	108.9866	2.616	41	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(O[5]C[5])(H)2	H(C[5]C[5,5,6]O[5]H)	H(C[5]C[5,5,6]O[5]H)	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(O[5]C[5])(H)2{2|C<3>,2|O<1>,3|C<4>}	H(C[5]C[5,5,6]O[5]H)	H(C[5]C[5,5,6]O[5]H)	108.9360	0.000	1	108.7263	0.033	3	108.9866	2.616	41	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]O[5,6]C[6])(O[5]C[5,6])(H)2	H(C[5]C[5,5,6]O[5]H)	H(C[5]C[5,5,6]O[5]H)	C[5](C[5,5,6]C[5,5,6]O[5,6]C[6])(O[5]C[5,6])(H)2{1|H<1>,1|O<1>,2|C<3>,3|C<4>}	H(C[5]C[5,5,6]O[5]H)	H(C[5]C[5,5,6]O[5]H)	108.7460	0.000	1	108.7460	0.000	1	108.9866	2.616	41	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]2)(O[5]C[5])(H)2	H(C[5]C[5,5,6]O[5]H)	H(C[5]C[5,5,6]O[5]H)	C[5](C[5,5,6]C[5,5]C[5,6]2)(O[5]C[5])(H)2{1|C<2>,1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	H(C[5]C[5,5,6]O[5]H)	H(C[5]C[5,5,6]O[5]H)	108.8180	0.000	1	108.8180	0.000	1	108.9866	2.616	41	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(O[5]C[5])(H)2	H(C[5]C[5,5,6]O[5]H)	H(C[5]C[5,5,6]O[5]H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(O[5]C[5])(H)2{1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<4>}	H(C[5]C[5,5,6]O[5]H)	H(C[5]C[5,5,6]O[5]H)	108.4490	0.000	1	108.4490	0.000	1	108.9866	2.616	41	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]N[6])(O[5]C[5])(H)2	H(C[5]C[5,5,6]O[5]H)	H(C[5]C[5,5,6]O[5]H)	C[5](C[5,5,6]C[5,5]C[5,6]N[6])(O[5]C[5])(H)2{1|O<2>,4|C<4>,4|H<1>}	H(C[5]C[5,5,6]O[5]H)	H(C[5]C[5,5,6]O[5]H)	108.4670	0.000	1	108.4670	0.000	1	108.9866	2.616	41	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]O[6])(O[5]C[5])(H)2	H(C[5]C[5,5,6]O[5]H)	H(C[5]C[5,5,6]O[5]H)	C[5](C[5,5,6]C[5,5]C[5,6]O[6])(O[5]C[5])(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5,6]O[5]H)	H(C[5]C[5,5,6]O[5]H)	111.6985	4.290	2	111.6985	18.404	2	108.9866	2.616	41	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(O[5]C[5])(H)2	H(C[5]C[5,5,6]O[5]H)	H(C[5]C[5,5,6]O[5]H)	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(O[5]C[5])(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5,6]O[5]H)	H(C[5]C[5,5,6]O[5]H)	108.6790	0.000	1	108.7365	0.007	2	108.9866	2.616	41	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(O[5]C[5])(H)2	H(C[5]C[5,5,6]O[5]H)	H(C[5]C[5,5,6]O[5]H)	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(O[5]C[5])(H)2{3|C<4>,5|H<1>}	H(C[5]C[5,5,6]O[5]H)	H(C[5]C[5,5,6]O[5]H)	108.7940	0.000	1	108.7365	0.007	2	108.9866	2.616	41	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(O[5]C[5])(H)2	H(C[5]C[5,5,6]O[5]H)	H(C[5]C[5,5,6]O[5]H)	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(O[5]C[5])(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5,6]O[5]H)	H(C[5]C[5,5,6]O[5]H)	108.4830	0.000	1	108.4830	0.000	1	108.9866	2.616	41	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5,6]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]Br)(S[5]C[5])(H)2	H(C[5]C[5,5,6]S[5]H)	H(C[5]C[5,5,6]S[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]Br)(S[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,5,6]S[5]H)	H(C[5]C[5,5,6]S[5]H)	108.4450	0.000	1	108.4450	0.000	1	109.4830	8.766	3	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5,6]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]Cl)(S[5]C[5])(H)2	H(C[5]C[5,5,6]S[5]H)	H(C[5]C[5,5,6]S[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]Cl)(S[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,5,6]S[5]H)	H(C[5]C[5,5,6]S[5]H)	112.8230	0.000	1	112.8230	0.000	1	109.4830	8.766	3	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5,6]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5])(H)2	H(C[5]C[5,5,6]S[5]H)	H(C[5]C[5,5,6]S[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5])(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,5,6]S[5]H)	H(C[5]C[5,5,6]S[5]H)	107.1810	0.000	1	107.1810	0.000	1	109.4830	8.766	3	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(N[5]N[5])(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]C)(N[5]N[5])(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	108.4390	0.000	1	108.4390	0.000	1	108.5643	0.023	3	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]N[5])(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]N[5])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	108.7310	0.000	1	108.6270	0.022	2	108.5643	0.023	3	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]N[5])(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]N[5])(H)2{2|C<4>,3|H<1>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	108.5230	0.000	1	108.6270	0.022	2	108.5643	0.023	3	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(O[5]C[5,5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[3x5]C[5]H)(O[5]C[5,5])(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.8800	0.000	1	108.8800	0.000	1	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(O[5]N[5,5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[3x5]C[5]H)(O[5]N[5,5])(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.9513	0.096	3	108.9513	0.009	3	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]O)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[3x5]C[5]O)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	110.0320	0.000	1	110.0320	0.000	1	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3x6]C[5,5]O[5])(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[3x6]C[5,5]O[5])(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.5000	0.000	1	108.6033	0.009	3	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3x6]C[5,5]O[5])(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[3x6]C[5,5]O[5])(O[5]C[5])(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.6550	0.052	2	108.6033	0.009	3	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[4,5,5]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[4,5,5]C[5]H)(O[5]C[5])(H)2{1|C<3>,1|S<2>,2|H<1>,3|C<4>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	110.3110	0.000	1	110.3110	0.000	1	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[4x5]C[5]H)(O[5]C[5,5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[4x5]C[5]H)(O[5]C[5,5])(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	110.7150	0.000	1	110.7150	0.000	1	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[3x5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5,6]C[3x5]H)(O[5]C[5])(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.4260	0.000	1	108.4260	0.000	1	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.7410	0.000	1	108.7410	0.000	1	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5])(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.7280	0.000	1	108.7280	0.000	1	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5,6]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5,6]C[5,6]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.5500	0.117	2	108.5500	0.014	2	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.1930	0.629	2	108.1930	0.396	2	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.9140	0.000	1	108.9140	0.000	1	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]N[5,6])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]N[5,6])(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.7270	0.000	1	108.7270	0.000	1	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]N[5])(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5,6]C[5]N[5])(O[5]C[5])(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.6310	0.000	1	108.6310	0.000	1	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]O[5]C)(O[5]C[5,6])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5,6]O[5]C)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.6500	0.000	1	108.6500	0.000	1	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]O[5]C)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5,6]O[5]C)(O[5]C[5])(H)2{1|O<1>,3|C<4>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.7610	0.000	1	108.7610	0.000	1	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]O[5]H)(O[5]C[5,6])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5,6]O[5]H)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.5970	0.065	2	108.5970	0.004	2	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]2H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]2H)(O[5]C[5])(H)2{1|C<2>,3|C<4>,3|H<1>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.5800	0.173	2	108.6042	0.941	6	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]2H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]2H)(O[5]C[5])(H)2{1|C<3>,1|N<3>,1|O<2>,4|H<1>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	107.0860	0.000	1	108.6042	0.941	6	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]2H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]2H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,4|C<4>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	109.3945	1.057	2	108.6042	0.941	6	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]2H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]2H)(O[5]C[5])(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.5900	0.000	1	108.6042	0.941	6	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]C[5]C)(O[5]C[5])(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.6690	0.000	1	108.6940	0.001	2	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]C[5]C)(O[5]C[5])(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.7190	0.000	1	108.6940	0.001	2	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]Fe)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]C[5]Fe)(O[5]C[5])(H)2{1|P<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	106.1650	7.361	2	108.0845	13.058	6	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]Fe)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]C[5]Fe)(O[5]C[5])(H)2{1|Si<4>,1|H<1>,3|C<4>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	109.1450	0.095	2	108.0845	13.058	6	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]Fe)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]C[5]Fe)(O[5]C[5])(H)2{1|Si<4>,2|C<4>,2|H<1>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.9435	0.047	2	108.0845	13.058	6	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.7053	0.117	3	108.7235	0.030	48	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>,2|O<2>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.8800	0.000	1	108.7235	0.030	48	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.6377	0.109	3	108.7235	0.030	48	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.9210	0.000	1	108.7235	0.030	48	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.5915	0.001	2	108.7235	0.030	48	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|C<4>,1|N<4>,5|H<1>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.7020	0.000	1	108.7235	0.030	48	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.7150	0.144	24	108.7235	0.030	48	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	109.1740	0.000	1	108.7235	0.030	48	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.7160	0.000	1	108.7235	0.030	48	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.9730	0.000	2	108.7235	0.030	48	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.6410	0.000	1	108.7235	0.030	48	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.5113	0.244	3	108.7235	0.030	48	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.5380	0.000	1	108.7235	0.030	48	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.9800	0.025	2	108.7235	0.030	48	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.5940	0.000	1	108.7235	0.030	48	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{2|C<4>,5|H<1>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.7490	0.000	1	108.7235	0.030	48	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(H)2{1|C<4>,1|N<2>,1|O<2>,2|C<3>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.9215	0.021	2	108.8453	0.023	7	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	109.0710	0.000	1	108.8453	0.023	7	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.8840	0.000	1	108.8453	0.023	7	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(H)2{1|S<4>,2|C<4>,3|H<1>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.7560	0.013	2	108.8453	0.023	7	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(H)2{3|C<3>,3|H<1>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.6070	0.000	1	108.8453	0.023	7	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]S[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]S[5])(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<1>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.7920	0.000	1	108.7920	0.000	1	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]C[5]O)(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.8560	0.000	1	109.0810	0.110	3	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]C[5]O)(O[5]C[5])(H)2{1|H<1>,1|O<1>,2|C<4>,2|O<2>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	109.4610	0.000	1	109.0810	0.110	3	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]C[5]O)(O[5]C[5])(H)2{1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.9260	0.000	1	109.0810	0.110	3	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]Ru)(O[5]C[5,5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]C[5]Ru)(O[5]C[5,5])(H)2{1|Si<4>,1|O<2>,3|C<4>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.9965	0.070	2	108.9965	0.005	2	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]Ru)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]C[5]Ru)(O[5]C[5])(H)2{1|Si<4>,2|C<4>,2|H<1>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	109.1000	0.000	1	109.1000	0.000	1	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[6a]O[5])(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]C[6a]O[5])(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.7190	0.000	1	108.7515	0.002	2	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[6a]O[5])(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]C[6a]O[5])(O[5]C[5])(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.7840	0.000	1	108.7515	0.002	2	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]N[5,5]H)(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	111.6540	0.000	1	110.2475	3.956	2	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]N[5,5]H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.8410	0.000	1	110.2475	3.956	2	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]N[5]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.7570	0.000	1	108.8075	0.005	2	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]N[5]H)(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.8580	0.000	1	108.8075	0.005	2	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]O)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]N[5]O)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.6090	0.000	1	108.6090	0.000	1	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]2)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]O[5]2)(O[5]C[5])(H)2{1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	110.7000	2.516	2	110.7000	6.330	2	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	105.5610	0.000	1	109.1948	6.900	5	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	111.6230	0.000	1	109.1948	6.900	5	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	110.0530	2.601	2	109.1948	6.900	5	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.6840	0.000	1	109.1948	6.900	5	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2{1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	110.2110	0.000	1	108.9247	0.613	22	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	110.0885	0.037	2	108.9247	0.613	22	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.8520	0.000	1	108.9247	0.613	22	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2{1|C<3>,1|O<2>,3|H<1>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.8825	0.052	2	108.9247	0.613	22	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.4770	0.000	1	108.9247	0.613	22	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.2530	1.771	2	108.9247	0.613	22	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.5440	0.000	1	108.9247	0.613	22	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.9180	0.000	1	108.9247	0.613	22	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.6817	0.044	4	108.9247	0.613	22	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2{1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.5460	0.085	2	108.9247	0.613	22	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	109.0148	0.941	5	108.9247	0.613	22	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6]C[5]O[5])(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,6]C[5]O[5])(O[5]C[5])(H)2{1|O<1>,1|O<2>,5|C<4>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.9740	0.000	1	108.9740	0.000	1	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]2C[5])(O[5]C[5,6a])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,6a]2C[5])(O[5]C[5,6a])(H)2{1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.3510	0.136	2	108.3510	0.018	2	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]2N[5])(O[5]C[5,6a])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,6a]2N[5])(O[5]C[5,6a])(H)2{5|C<3>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.4440	0.000	1	108.4440	0.000	1	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[6a])(O[5]N[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C[6a])(O[5]N[5])(H)2{1|H<1>,2|C<4>,4|C<3>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.8110	0.000	1	108.8110	0.000	1	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,6]C[5])(O[5]C[5,6])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(O[5]C[5,6])(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.8110	0.000	1	108.8110	0.000	1	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(O[5]C[5])(H)2{1|H<1>,1|O<1>,4|C<3>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.8980	0.021	3	108.8450	0.012	4	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(O[5]C[5])(H)2{1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.6860	0.000	1	108.8450	0.012	4	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(O[5]C[5])(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	109.1960	0.000	1	109.1960	0.000	1	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]H)(O[5]S[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5,6a]N[5,5]H)(O[5]S[5])(H)2{1|C<4>,2|C<3>,2|O<1>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.7833	0.189	3	108.7833	0.036	3	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(O[5]C[5,5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5]2O[5])(O[5]C[5,5])(H)2{2|C<4>,2|O<2>,4|H<1>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.9710	0.000	1	108.9710	0.000	1	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	110.4100	0.000	1	110.3825	0.980	6	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(H)2{1|H<1>,1|N<2>,1|O<1>,1|O<2>,3|C<4>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	110.7030	0.000	1	110.3825	0.980	6	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(H)2{1|H<1>,1|O<1>,2|O<2>,3|C<4>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	109.8995	0.531	2	110.3825	0.980	6	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(H)2{1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	110.6915	1.964	2	110.3825	0.980	6	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]3)(O[5]C[5,5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5]3)(O[5]C[5,5])(H)2{1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.5340	0.000	1	108.5180	0.001	2	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]3)(O[5]C[5,5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5]3)(O[5]C[5,5])(H)2{1|O<2>,3|C<4>,6|H<1>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.5020	0.000	1	108.5180	0.001	2	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]N[5]2)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5]N[5]2)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<2>,1|S<1>,3|H<1>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.8880	0.000	1	108.8880	0.000	1	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]N[5]O[5])(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5]N[5]O[5])(O[5]C[5])(H)2{1|Br<1>,1|H<1>,1|O<1>,1|S<4>,2|C<3>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.8675	0.155	4	109.4997	5.040	10	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]N[5]O[5])(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5]N[5]O[5])(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	115.8780	0.000	1	109.4997	5.040	10	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]N[5]O[5])(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5]N[5]O[5])(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,1|S<4>,2|C<3>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.5870	0.000	1	109.4997	5.040	10	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]N[5]O[5])(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5]N[5]O[5])(O[5]C[5])(H)2{1|H<1>,1|N<2>,1|O<1>,1|S<4>,2|C<3>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.7520	0.000	1	109.4997	5.040	10	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]N[5]O[5])(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5]N[5]O[5])(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,1|S<4>,2|C<3>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.8710	0.000	1	109.4997	5.040	10	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]N[5]O[5])(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]C[5]N[5]O[5])(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|S<4>,3|C<3>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.7195	0.006	2	109.4997	5.040	10	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[3x5]C[5]C)(O[5]B[5,5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]N[3x5]C[5]C)(O[5]B[5,5])(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.6455	0.083	2	108.6455	0.007	2	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[3x5]C[5]C)(O[5]C[5,5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]N[3x5]C[5]C)(O[5]C[5,5])(H)2{1|B<4>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.9700	0.000	1	108.9975	0.002	2	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[3x5]C[5]C)(O[5]C[5,5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]N[3x5]C[5]C)(O[5]C[5,5])(H)2{1|B<4>,1|C<3>,1|O<2>,4|H<1>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	109.0250	0.000	1	108.9975	0.002	2	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5,6]C[5]C)(O[5]C[5,6])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]N[5,5,6]C[5]C)(O[5]C[5,6])(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	109.1978	0.501	6	109.1978	0.251	6	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]2)(O[5]C[5,5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]N[5,5]C[5]2)(O[5]C[5,5])(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.4990	0.000	1	108.4990	0.000	1	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	110.7643	1.259	4	109.7744	1.588	15	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	110.0600	0.000	1	109.7744	1.588	15	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	110.8295	2.446	2	109.7744	1.588	15	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(H)2{1|Fe<6>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.8400	0.240	3	109.7744	1.588	15	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	109.0860	0.000	1	109.7744	1.588	15	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	109.0585	0.052	4	109.7744	1.588	15	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5,6])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5,6])(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.9770	0.000	1	108.9770	0.000	1	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	109.1490	0.000	1	109.4024	2.907	15	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2{1|C<3>,1|O<1>,3|C<4>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.8600	0.000	1	109.4024	2.907	15	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.8170	0.000	1	109.4024	2.907	15	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	109.6163	1.134	3	109.4024	2.907	15	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.7780	0.000	1	109.4024	2.907	15	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.3490	1.028	2	109.4024	2.907	15	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	115.0980	0.000	1	109.4024	2.907	15	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	109.2430	0.000	1	109.4024	2.907	15	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.7430	0.000	1	109.4024	2.907	15	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2{1|N<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.8370	0.000	1	109.4024	2.907	15	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2{2|C<4>,2|O<1>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.8170	0.000	1	109.4024	2.907	15	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2{2|H<1>,3|C<3>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	109.1470	0.000	1	109.4024	2.907	15	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(O[5]P[5])(H)2	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	C[5](C[5,5]N[5,5]C[5]H)(O[5]P[5])(H)2{1|Pd<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,5]O[5]H)	H(C[5]C[5,5]O[5]H)	108.6610	0.084	3	108.6610	0.007	3	109.0164	1.377	215	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3,5]C[5]2)(S[5]C[5])(H)2	H(C[5]C[5,5]S[5]H)	H(C[5]C[5,5]S[5]H)	C[5](C[5,5]C[3,5]C[5]2)(S[5]C[5])(H)2{1|O<1>,3|C<4>,5|H<1>}	H(C[5]C[5,5]S[5]H)	H(C[5]C[5,5]S[5]H)	108.7500	0.000	1	108.7500	0.000	1	108.6254	3.482	74	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(S[5]C[5])(H)2	H(C[5]C[5,5]S[5]H)	H(C[5]C[5,5]S[5]H)	C[5](C[5,5]C[5,5]C[5]2)(S[5]C[5])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[5]C[5,5]S[5]H)	H(C[5]C[5,5]S[5]H)	108.6040	0.000	1	108.6040	0.000	1	108.6254	3.482	74	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(S[5]C[5])(H)2	H(C[5]C[5,5]S[5]H)	H(C[5]C[5,5]S[5]H)	C[5](C[5,5]C[5,5]C[5]C)(S[5]C[5])(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,5]S[5]H)	H(C[5]C[5,5]S[5]H)	108.7635	0.084	2	108.7635	0.007	2	108.6254	3.482	74	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(S[5]C[5])(H)2	H(C[5]C[5,5]S[5]H)	H(C[5]C[5,5]S[5]H)	C[5](C[5,5]C[5,5]C[5]H)(S[5]C[5])(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5]C[5,5]S[5]H)	H(C[5]C[5,5]S[5]H)	108.5400	0.000	1	108.5400	0.000	1	108.6254	3.482	74	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]N[5])(S[5]C[5])(H)2	H(C[5]C[5,5]S[5]H)	H(C[5]C[5,5]S[5]H)	C[5](C[5,5]C[5,5]C[5]N[5])(S[5]C[5])(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,5]S[5]H)	H(C[5]C[5,5]S[5]H)	108.9060	0.000	1	108.9060	0.000	1	108.6254	3.482	74	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]H)(S[5]C[5])(H)2	H(C[5]C[5,5]S[5]H)	H(C[5]C[5,5]S[5]H)	C[5](C[5,5]C[5,5]N[5,5]H)(S[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]S[5]H)	H(C[5]C[5,5]S[5]H)	108.9887	0.039	3	108.9887	0.002	3	108.6254	3.482	74	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]C)(S[5]C[5])(H)2	H(C[5]C[5,5]S[5]H)	H(C[5]C[5,5]S[5]H)	C[5](C[5,5]C[5,5]N[5]C)(S[5]C[5])(H)2{2|C<4>,4|H<1>}	H(C[5]C[5,5]S[5]H)	H(C[5]C[5,5]S[5]H)	108.4040	0.000	1	108.4040	0.000	1	108.6254	3.482	74	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(S[5]C[5])(H)2	H(C[5]C[5,5]S[5]H)	H(C[5]C[5,5]S[5]H)	C[5](C[5,5]C[5,5]N[5]H)(S[5]C[5])(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5]C[5,5]S[5]H)	H(C[5]C[5,5]S[5]H)	108.6720	0.000	1	108.5545	0.078	6	108.6254	3.482	74	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(S[5]C[5])(H)2	H(C[5]C[5,5]S[5]H)	H(C[5]C[5,5]S[5]H)	C[5](C[5,5]C[5,5]N[5]H)(S[5]C[5])(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]S[5]H)	H(C[5]C[5,5]S[5]H)	108.5150	0.350	4	108.5545	0.078	6	108.6254	3.482	74	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(S[5]C[5])(H)2	H(C[5]C[5,5]S[5]H)	H(C[5]C[5,5]S[5]H)	C[5](C[5,5]C[5,5]N[5]H)(S[5]C[5])(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5,5]S[5]H)	H(C[5]C[5,5]S[5]H)	108.5950	0.000	1	108.5545	0.078	6	108.6254	3.482	74	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(S[5]C[5])(H)2	H(C[5]C[5,5]S[5]H)	H(C[5]C[5,5]S[5]H)	C[5](C[5,5]C[5,5]O[5]C)(S[5]C[5])(H)2{1|C<4>,1|O<2>,1|S<3>,2|H<1>}	H(C[5]C[5,5]S[5]H)	H(C[5]C[5,5]S[5]H)	104.8368	7.556	4	104.8368	57.088	4	108.6254	3.482	74	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6]N[5,5]H)(S[5]C[5])(H)2	H(C[5]C[5,5]S[5]H)	H(C[5]C[5,5]S[5]H)	C[5](C[5,5]C[5,6]N[5,5]H)(S[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]S[5]H)	H(C[5]C[5,5]S[5]H)	108.6455	0.112	2	108.7842	0.024	5	108.6254	3.482	74	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6]N[5,5]H)(S[5]C[5])(H)2	H(C[5]C[5,5]S[5]H)	H(C[5]C[5,5]S[5]H)	C[5](C[5,5]C[5,6]N[5,5]H)(S[5]C[5])(H)2{1|N<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5]S[5]H)	H(C[5]C[5,5]S[5]H)	108.8767	0.094	3	108.7842	0.024	5	108.6254	3.482	74	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[3x5]C[5]H)(S[5]C[5,5])(H)2	H(C[5]C[5,5]S[5]H)	H(C[5]C[5,5]S[5]H)	C[5](C[5,5]N[3x5]C[5]H)(S[5]C[5,5])(H)2{1|B<4>,1|C<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5,5]S[5]H)	H(C[5]C[5,5]S[5]H)	109.0050	0.014	2	109.0050	0.000	2	108.6254	3.482	74	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(S[5]C[5])(H)2	H(C[5]C[5,5]S[5]H)	H(C[5]C[5,5]S[5]H)	C[5](C[5,5]N[5,5]C[5]C)(S[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5,5]S[5]H)	H(C[5]C[5,5]S[5]H)	111.7130	0.000	1	110.5897	2.188	4	108.6254	3.482	74	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(S[5]C[5])(H)2	H(C[5]C[5,5]S[5]H)	H(C[5]C[5,5]S[5]H)	C[5](C[5,5]N[5,5]C[5]C)(S[5]C[5])(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5]S[5]H)	H(C[5]C[5,5]S[5]H)	110.2153	1.563	3	110.5897	2.188	4	108.6254	3.482	74	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2	H(C[5]C[5,5]S[5]H)	H(C[5]C[5,5]S[5]H)	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[5]C[5,5]S[5]H)	H(C[5]C[5,5]S[5]H)	108.5870	0.000	1	108.7375	0.035	41	108.6254	3.482	74	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2	H(C[5]C[5,5]S[5]H)	H(C[5]C[5,5]S[5]H)	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]S[5]H)	H(C[5]C[5,5]S[5]H)	108.7635	0.192	32	108.7375	0.035	41	108.6254	3.482	74	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2	H(C[5]C[5,5]S[5]H)	H(C[5]C[5,5]S[5]H)	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5]S[5]H)	H(C[5]C[5,5]S[5]H)	108.6640	0.000	1	108.7375	0.035	41	108.6254	3.482	74	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2	H(C[5]C[5,5]S[5]H)	H(C[5]C[5,5]S[5]H)	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,5]S[5]H)	H(C[5]C[5,5]S[5]H)	108.4400	0.000	1	108.7375	0.035	41	108.6254	3.482	74	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2	H(C[5]C[5,5]S[5]H)	H(C[5]C[5,5]S[5]H)	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2{1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[5,5]S[5]H)	H(C[5]C[5,5]S[5]H)	108.8600	0.000	1	108.7375	0.035	41	108.6254	3.482	74	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2	H(C[5]C[5,5]S[5]H)	H(C[5]C[5,5]S[5]H)	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2{1|N<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]S[5]H)	H(C[5]C[5,5]S[5]H)	108.6270	0.238	2	108.7375	0.035	41	108.6254	3.482	74	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2	H(C[5]C[5,5]S[5]H)	H(C[5]C[5,5]S[5]H)	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]S[5]H)	H(C[5]C[5,5]S[5]H)	108.7500	0.000	1	108.7375	0.035	41	108.6254	3.482	74	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2	H(C[5]C[5,5]S[5]H)	H(C[5]C[5,5]S[5]H)	C[5](C[5,5]N[5,5]C[5]H)(S[5]C[5])(H)2{2|C<4>,4|H<1>}	H(C[5]C[5,5]S[5]H)	H(C[5]C[5,5]S[5]H)	108.6265	0.074	2	108.7375	0.035	41	108.6254	3.482	74	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]O[5]H)(S[5]C[5])(H)2	H(C[5]C[5,5]S[5]H)	H(C[5]C[5,5]S[5]H)	C[5](C[5,5]N[5,5]O[5]H)(S[5]C[5])(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,5]S[5]H)	H(C[5]C[5,5]S[5]H)	108.6895	0.196	2	108.6895	0.038	2	108.6254	3.482	74	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[3,6,6]C[5,6]C[6])(O[5]C[5])(H)2	H(C[5]C[5,6,6]O[5]H)	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[3,6,6]C[5,6]C[6])(O[5]C[5])(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,6,6]O[5]H)	H(C[5]C[5,6,6]O[5]H)	108.9360	0.000	1	108.9360	0.000	1	108.9304	0.398	54	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[4,6,6]C[6,6]N[5])(O[5]C[5])(H)2	H(C[5]C[5,6,6]O[5]H)	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[4,6,6]C[6,6]N[5])(O[5]C[5])(H)2{1|O<1>,3|C<4>,4|H<1>}	H(C[5]C[5,6,6]O[5]H)	H(C[5]C[5,6,6]O[5]H)	108.5930	0.000	1	108.5930	0.000	1	108.9304	0.398	54	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[4,6,6]O[5,6,6]H)(O[5]C[5,6,6])(H)2	H(C[5]C[5,6,6]O[5]H)	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[4,6,6]O[5,6,6]H)(O[5]C[5,6,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6,6]O[5]H)	H(C[5]C[5,6,6]O[5]H)	109.3790	0.000	1	109.3790	0.000	1	108.9304	0.398	54	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[5,6,6]C)(O[5]C[5,6,6])(H)2	H(C[5]C[5,6,6]O[5]H)	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[5,3x6]C[5,6,6]C)(O[5]C[5,6,6])(H)2{1|C<3>,2|O<2>,4|C<4>}	H(C[5]C[5,6,6]O[5]H)	H(C[5]C[5,6,6]O[5]H)	108.5340	0.000	1	108.5340	0.000	1	108.9304	0.398	54	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(O[5]C[5])(H)2	H(C[5]C[5,6,6]O[5]H)	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,6,6]O[5]H)	H(C[5]C[5,6,6]O[5]H)	108.8445	0.045	2	108.8445	0.002	2	108.9304	0.398	54	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(O[5]C[5,6,6])(H)2	H(C[5]C[5,6,6]O[5]H)	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(O[5]C[5,6,6])(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,6,6]O[5]H)	H(C[5]C[5,6,6]O[5]H)	108.7110	0.000	1	108.8945	0.067	2	108.9304	0.398	54	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(O[5]C[5,6,6])(H)2	H(C[5]C[5,6,6]O[5]H)	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(O[5]C[5,6,6])(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6,6]O[5]H)	H(C[5]C[5,6,6]O[5]H)	109.0780	0.000	1	108.8945	0.067	2	108.9304	0.398	54	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,5,6]C[6,6]2)(O[5]C[5,5])(H)2	H(C[5]C[5,6,6]O[5]H)	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[5,5,6]C[6,6]2)(O[5]C[5,5])(H)2{2|O<2>,4|C<4>,4|H<1>}	H(C[5]C[5,6,6]O[5]H)	H(C[5]C[5,6,6]O[5]H)	109.1200	0.000	1	109.1200	0.000	1	108.9304	0.398	54	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,5,6]C[6,6]C[6])(O[5]C[5,5,6])(H)2	H(C[5]C[5,6,6]O[5]H)	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[5,5,6]C[6,6]C[6])(O[5]C[5,5,6])(H)2{1|C<3>,1|O<1>,2|H<1>,5|C<4>}	H(C[5]C[5,6,6]O[5]H)	H(C[5]C[5,6,6]O[5]H)	108.6020	0.099	2	108.6020	0.010	2	108.9304	0.398	54	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3,6]C[5,6])(O[5]C[5,6])(H)2	H(C[5]C[5,6,6]O[5]H)	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[5,6,6]C[3,6]C[5,6])(O[5]C[5,6])(H)2{3|H<1>,3|O<2>,4|C<4>}	H(C[5]C[5,6,6]O[5]H)	H(C[5]C[5,6,6]O[5]H)	108.6310	0.000	1	108.6310	0.000	1	108.9304	0.398	54	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(H)2	H(C[5]C[5,6,6]O[5]H)	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6,6]O[5]H)	H(C[5]C[5,6,6]O[5]H)	108.7310	0.000	1	108.7415	0.000	2	108.9304	0.398	54	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(H)2	H(C[5]C[5,6,6]O[5]H)	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,6,6]O[5]H)	H(C[5]C[5,6,6]O[5]H)	108.7520	0.000	1	108.7415	0.000	2	108.9304	0.398	54	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]O)(O[5]C[5])(H)2	H(C[5]C[5,6,6]O[5]H)	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]O)(O[5]C[5])(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6,6]O[5]H)	H(C[5]C[5,6,6]O[5]H)	108.6380	0.000	1	108.6380	0.000	1	108.9304	0.398	54	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(O[5]C[5])(H)2	H(C[5]C[5,6,6]O[5]H)	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(O[5]C[5])(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5,6,6]O[5]H)	H(C[5]C[5,6,6]O[5]H)	108.8740	0.000	1	108.8740	0.000	1	108.9304	0.398	54	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6,6])(H)2	H(C[5]C[5,6,6]O[5]H)	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6,6])(H)2{2|C<3>,3|H<1>,4|C<4>}	H(C[5]C[5,6,6]O[5]H)	H(C[5]C[5,6,6]O[5]H)	108.6270	0.000	1	108.6270	0.000	1	108.9304	0.398	54	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6])(H)2	H(C[5]C[5,6,6]O[5]H)	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6])(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5,6,6]O[5]H)	H(C[5]C[5,6,6]O[5]H)	108.6060	0.000	1	108.8597	0.158	7	108.9304	0.398	54	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6])(H)2	H(C[5]C[5,6,6]O[5]H)	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6])(H)2{1|C<3>,2|H<1>,3|O<2>,4|C<4>}	H(C[5]C[5,6,6]O[5]H)	H(C[5]C[5,6,6]O[5]H)	109.4120	0.000	1	108.8597	0.158	7	108.9304	0.398	54	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6])(H)2	H(C[5]C[5,6,6]O[5]H)	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6])(H)2{1|C<3>,4|C<4>,4|H<1>}	H(C[5]C[5,6,6]O[5]H)	H(C[5]C[5,6,6]O[5]H)	108.6590	0.000	1	108.8597	0.158	7	108.9304	0.398	54	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6])(H)2	H(C[5]C[5,6,6]O[5]H)	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6])(H)2{1|C<3>,4|C<4>,5|H<1>}	H(C[5]C[5,6,6]O[5]H)	H(C[5]C[5,6,6]O[5]H)	108.6243	0.012	3	108.8597	0.158	7	108.9304	0.398	54	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6])(H)2	H(C[5]C[5,6,6]O[5]H)	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6])(H)2{2|C<3>,2|H<1>,3|C<4>,3|O<2>}	H(C[5]C[5,6,6]O[5]H)	H(C[5]C[5,6,6]O[5]H)	109.4680	0.000	1	108.8597	0.158	7	108.9304	0.398	54	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6]2)(O[5]C[5,6])(H)2	H(C[5]C[5,6,6]O[5]H)	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[5,6,6]C[6]2)(O[5]C[5,6])(H)2{4|C<4>,6|H<1>}	H(C[5]C[5,6,6]O[5]H)	H(C[5]C[5,6,6]O[5]H)	108.6534	0.103	5	108.6534	0.011	5	108.9304	0.398	54	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6]2)(O[5]C[5])(H)2	H(C[5]C[5,6,6]O[5]H)	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[5,6,6]C[6]2)(O[5]C[5])(H)2{1|O<2>,3|C<4>,6|H<1>}	H(C[5]C[5,6,6]O[5]H)	H(C[5]C[5,6,6]O[5]H)	108.9170	0.000	1	108.9170	0.000	1	108.9304	0.398	54	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]2)(O[5]C[5,6])(H)2	H(C[5]C[5,6,6]O[5]H)	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]2)(O[5]C[5,6])(H)2{1|O<2>,4|H<1>,5|C<4>}	H(C[5]C[5,6,6]O[5]H)	H(C[5]C[5,6,6]O[5]H)	108.6940	0.000	1	108.6940	0.000	1	108.9304	0.398	54	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]2)(O[5]C[5])(H)2	H(C[5]C[5,6,6]O[5]H)	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]2)(O[5]C[5])(H)2{1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5,6,6]O[5]H)	H(C[5]C[5,6,6]O[5]H)	108.7780	0.058	5	108.7209	0.012	7	108.9304	0.398	54	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]2)(O[5]C[5])(H)2	H(C[5]C[5,6,6]O[5]H)	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]2)(O[5]C[5])(H)2{2|O<2>,4|C<4>,4|H<1>}	H(C[5]C[5,6,6]O[5]H)	H(C[5]C[5,6,6]O[5]H)	108.5780	0.045	2	108.7209	0.012	7	108.9304	0.398	54	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2	H(C[5]C[5,6,6]O[5]H)	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,6,6]O[5]H)	H(C[5]C[5,6,6]O[5]H)	108.8360	0.000	1	108.8203	0.030	12	108.9304	0.398	54	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2	H(C[5]C[5,6,6]O[5]H)	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2{1|C<3>,1|O<1>,2|H<1>,2|O<2>,3|C<4>}	H(C[5]C[5,6,6]O[5]H)	H(C[5]C[5,6,6]O[5]H)	108.9720	0.010	2	108.8203	0.030	12	108.9304	0.398	54	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2	H(C[5]C[5,6,6]O[5]H)	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2{1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[5]C[5,6,6]O[5]H)	H(C[5]C[5,6,6]O[5]H)	108.9120	0.193	3	108.8203	0.030	12	108.9304	0.398	54	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2	H(C[5]C[5,6,6]O[5]H)	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2{1|C<3>,2|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5,6,6]O[5]H)	H(C[5]C[5,6,6]O[5]H)	108.7293	0.244	3	108.8203	0.030	12	108.9304	0.398	54	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2	H(C[5]C[5,6,6]O[5]H)	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6,6]O[5]H)	H(C[5]C[5,6,6]O[5]H)	108.7500	0.000	1	108.8203	0.030	12	108.9304	0.398	54	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2	H(C[5]C[5,6,6]O[5]H)	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2{1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6,6]O[5]H)	H(C[5]C[5,6,6]O[5]H)	108.7440	0.000	1	108.8203	0.030	12	108.9304	0.398	54	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2	H(C[5]C[5,6,6]O[5]H)	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2{2|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5,6,6]O[5]H)	H(C[5]C[5,6,6]O[5]H)	108.6450	0.000	1	108.8203	0.030	12	108.9304	0.398	54	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]O[6])(O[5]C[5])(H)2	H(C[5]C[5,6,6]O[5]H)	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]O[6])(O[5]C[5])(H)2{1|H<1>,1|O<1>,2|C<3>,3|C<4>}	H(C[5]C[5,6,6]O[5]H)	H(C[5]C[5,6,6]O[5]H)	111.6785	0.313	2	111.2730	0.542	3	108.9304	0.398	54	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]O[6])(O[5]C[5])(H)2	H(C[5]C[5,6,6]O[5]H)	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]O[6])(O[5]C[5])(H)2{1|O<1>,2|C<4>,3|C<3>}	H(C[5]C[5,6,6]O[5]H)	H(C[5]C[5,6,6]O[5]H)	110.4620	0.000	1	111.2730	0.542	3	108.9304	0.398	54	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(O[5]C[5])(H)2	H(C[5]C[5,6,6]O[5]H)	H(C[5]C[5,6,6]O[5]H)	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(O[5]C[5])(H)2{1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6,6]O[5]H)	H(C[5]C[5,6,6]O[5]H)	109.1390	0.000	1	109.1390	0.000	1	108.9304	0.398	54	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6,6]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(S[5]C[5,6])(H)2	H(C[5]C[5,6,6]S[5]H)	H(C[5]C[5,6,6]S[5]H)	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(S[5]C[5,6])(H)2{1|C<3>,4|C<4>,4|H<1>}	H(C[5]C[5,6,6]S[5]H)	H(C[5]C[5,6,6]S[5]H)	108.2790	0.000	1	108.2790	0.000	1	108.2790	0.000	1	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,4x6]C[6]C)(N[5]C[5,6,6])(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,4x6]C[6]C)(N[5]C[5,6,6])(H)2{2|H<1>,4|C<4>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	108.5120	0.000	1	108.5120	0.000	1	108.6942	0.117	4	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5])(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5])(H)2{1|N<2>,1|N<3>,1|O<1>,2|C<3>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	109.0260	0.000	1	108.6660	0.259	2	108.6942	0.117	4	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5])(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5])(H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	108.3060	0.000	1	108.6660	0.259	2	108.6942	0.117	4	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]N[5])(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]N[5])(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	108.9330	0.000	1	108.9330	0.000	1	108.6942	0.117	4	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[3,6,6]C[3,6]O[5])(O[5]S[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[3,6,6]C[3,6]O[5])(O[5]S[5])(H)2{1|O<1>,2|O<2>,4|C<4>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.5080	0.000	1	108.5080	0.000	1	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[3,6]N[5,6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[3,6]N[5,6]H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.8190	0.000	1	108.8190	0.000	1	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[3,6]O[5,6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[3,6]O[5,6]H)(O[5]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	109.4124	1.197	10	109.4124	1.434	10	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[3x5,6]C[6]H)(O[5]C[5,5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[3x5,6]C[6]H)(O[5]C[5,5])(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	109.1350	0.000	1	108.9710	0.054	2	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[3x5,6]C[6]H)(O[5]C[5,5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[3x5,6]C[6]H)(O[5]C[5,5])(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.8070	0.000	1	108.9710	0.054	2	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[4,5,6]C[6]H)(O[5]C[4,5,5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[4,5,6]C[6]H)(O[5]C[4,5,5])(H)2{3|H<1>,4|C<4>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.8900	0.000	1	108.8900	0.000	1	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,3x6]C[6]2)(O[5]C[5,6,6])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,3x6]C[6]2)(O[5]C[5,6,6])(H)2{2|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.3020	0.000	1	108.3020	0.000	1	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6,6]C[5,6]O)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,5,6,6]C[5,6]O)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.5620	0.000	1	108.5620	0.000	1	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[5,6]C)(O[5]C[5,5,6])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,5,6]C[5,6]C)(O[5]C[5,5,6])(H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.7590	0.000	2	108.7590	0.000	2	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[5,6]C)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,5,6]C[5,6]C)(O[5]C[5,6])(H)2{1|H<1>,2|O<2>,4|C<4>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.7180	0.010	2	108.7180	0.000	2	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[5,6]C)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,5,6]C[5,6]C)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.6155	0.073	2	108.4662	0.106	6	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[5,6]C)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,5,6]C[5,6]C)(O[5]C[5])(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.5000	0.000	1	108.4662	0.106	6	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[5,6]C)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,5,6]C[5,6]C)(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	107.8440	0.000	1	108.4662	0.106	6	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[5,6]C)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,5,6]C[5,6]C)(O[5]C[5])(H)2{1|O<1>,2|O<2>,3|C<4>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.6110	0.218	2	108.4662	0.106	6	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]C)(O[5]C[5,5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,5,6]C[6]C)(O[5]C[5,5])(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.8470	0.000	1	108.6800	0.038	3	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]C)(O[5]C[5,5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,5,6]C[6]C)(O[5]C[5,5])(H)2{2|H<1>,2|O<2>,3|C<4>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.5965	0.185	2	108.6800	0.038	3	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5,5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5,5])(H)2{1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.8110	0.000	1	108.8110	0.000	1	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]O)(O[5]C[5,5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,5,6]C[6]O)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.9420	0.000	1	108.1070	1.394	2	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]O)(O[5]C[5,5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,5,6]C[6]O)(O[5]C[5,5])(H)2{1|C<4>,1|O<1>,2|C<3>,2|O<2>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	107.2720	0.000	1	108.1070	1.394	2	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6,6a]Si)(O[5]C[5,6,6])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6,6]C[6,6a]Si)(O[5]C[5,6,6])(H)2{1|C<3>,1|H<1>,1|N<3>,3|C<4>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.6610	0.000	1	108.6610	0.000	1	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]2)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6,6]C[6]2)(O[5]C[5,6])(H)2{1|C<3>,4|C<4>,5|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.3230	0.000	1	108.3230	0.000	1	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6,6])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6,6])(H)2{1|H<1>,2|O<2>,4|C<4>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.6080	0.000	1	108.6080	0.000	1	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.6920	0.000	1	108.7326	0.032	12	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.4975	0.121	2	108.7326	0.032	12	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	109.0470	0.025	2	108.7326	0.032	12	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.6890	0.000	1	108.7326	0.032	12	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.7212	0.075	5	108.7326	0.032	12	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(H)2{1|Si<4>,3|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.7150	0.000	1	108.7326	0.032	12	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6,6])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6,6])(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.7620	0.000	1	108.7620	0.000	1	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	116.1240	0.000	1	112.7957	13.975	3	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	111.1315	3.367	2	112.7957	13.975	3	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.8230	0.000	1	108.7765	0.032	4	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.8250	0.000	1	108.7765	0.032	4	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|O<1>,3|C<4>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.5200	0.000	1	108.7765	0.032	4	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,4|C<4>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.9380	0.000	1	108.7765	0.032	4	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]O)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6,6]C[6]O)(O[5]C[5,6])(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.6380	0.000	1	108.6045	0.002	2	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]O)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6,6]C[6]O)(O[5]C[5,6])(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.5710	0.000	1	108.6045	0.002	2	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6a]O[6])(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6,6]C[6a]O[6])(O[5]C[5,6])(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.4210	0.000	1	108.4210	0.000	1	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]O[5,6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6,6]O[5,6]H)(O[5]C[5,6])(H)2{2|H<1>,3|C<4>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	109.8073	1.073	6	109.8073	1.151	6	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]O[6]C)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6,6]O[6]C)(O[5]C[5])(H)2{1|O<1>,3|C<4>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.8930	0.000	1	108.8930	0.000	1	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6a]N[6]C)(O[5]C[5,6a])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6,6a]N[6]C)(O[5]C[5,6a])(H)2{1|H<1>,3|C<3>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.8695	0.052	2	110.4600	3.786	4	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6a]N[6]C)(O[5]C[5,6a])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6,6a]N[6]C)(O[5]C[5,6a])(H)2{1|O<2>,3|C<3>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	112.0505	1.112	2	110.4600	3.786	4	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]2C)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]2C)(O[5]C[5,6])(H)2{1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.2690	0.000	1	108.2690	0.000	1	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]2C)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]2C)(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.6420	0.000	1	108.7575	0.027	2	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]2C)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]2C)(O[5]C[5])(H)2{1|O<1>,2|O<2>,3|C<4>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.8730	0.000	1	108.7575	0.027	2	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]2H)(O[5]C[5,6])(H)2{2|H<1>,5|C<4>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.6730	0.000	1	108.6730	0.000	1	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]2H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.8310	0.000	1	108.6615	0.015	4	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]2H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.5460	0.000	1	108.6615	0.015	4	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]2H)(O[5]C[5])(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.6345	0.016	2	108.6615	0.015	4	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]2Ru)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]2Ru)(O[5]C[5])(H)2{2|H<1>,3|C<4>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.8300	0.000	1	108.8300	0.000	1	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[5]C[6])(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[5]C[6])(O[5]C[5])(H)2{1|C<2>,1|H<1>,2|C<4>,2|O<1>,2|O<2>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.4510	0.000	1	108.6390	0.071	2	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[5]C[6])(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[5]C[6])(O[5]C[5])(H)2{1|C<3>,3|C<4>,6|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.8270	0.000	1	108.6390	0.071	2	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(O[5]C[5])(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.7980	0.000	1	108.6347	0.020	3	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(O[5]C[5])(H)2{1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.5530	0.007	2	108.6347	0.020	3	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(O[5]N[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(O[5]N[5])(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.8830	0.000	1	108.8830	0.000	1	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.8280	0.000	1	109.4457	1.759	9	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	110.8043	1.695	3	109.4457	1.759	9	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(H)2{1|C<3>,1|O<1>,3|C<4>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.7510	0.078	3	109.4457	1.759	9	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.7770	0.000	1	109.4457	1.759	9	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.7400	0.000	1	109.4457	1.759	9	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]O[5])(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6,6]O[5])(O[5]C[5])(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	109.1980	0.061	2	109.1980	0.004	2	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]Br)(O[5]N[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]Br)(O[5]N[5])(H)2{1|S<4>,2|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	109.1660	0.000	1	109.1660	0.000	1	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(H)2{1|H<1>,1|O<1>,4|C<4>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.4670	0.000	1	108.4535	0.000	2	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.4400	0.000	1	108.4535	0.000	2	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.8970	0.170	2	108.8621	0.081	14	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.8033	0.224	3	108.8621	0.081	14	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.9350	0.000	1	108.8621	0.081	14	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(H)2{1|H<1>,2|C<4>,2|O<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	109.6860	0.000	1	108.8621	0.081	14	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(H)2{1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.7918	0.112	6	108.8621	0.081	14	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.4940	0.000	1	108.8621	0.081	14	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(O[5]N[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]C)(O[5]N[5])(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.7105	0.128	2	108.7105	0.016	2	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(H)2{3|H<1>,4|C<4>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.6690	0.103	2	108.6690	0.011	2	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.8260	0.000	1	109.5251	4.782	7	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.6490	0.000	1	109.5251	4.782	7	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2{1|C<4>,1|N<3>,5|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.0390	0.000	1	109.5251	4.782	7	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	114.3810	0.000	1	109.5251	4.782	7	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.6470	0.000	1	109.5251	4.782	7	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.5890	0.000	1	109.5251	4.782	7	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	109.5450	0.000	1	109.5251	4.782	7	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|Br<1>,3|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.8740	0.000	1	109.0055	0.848	59	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|F<1>,1|O<1>,2|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	109.4220	0.000	1	109.0055	0.848	59	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.9105	0.158	2	109.0055	0.848	59	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	109.0830	0.000	1	109.0055	0.848	59	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	109.0006	0.109	7	109.0055	0.848	59	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.9696	1.147	5	109.0055	0.848	59	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	109.3790	0.853	8	109.0055	0.848	59	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.7220	0.184	2	109.0055	0.848	59	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.7410	0.000	1	109.0055	0.848	59	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.8013	0.189	3	109.0055	0.848	59	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.9250	0.000	1	109.0055	0.848	59	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.7090	0.000	1	109.0055	0.848	59	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.8665	0.045	2	109.0055	0.848	59	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.8953	0.051	4	109.0055	0.848	59	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	111.8210	0.000	1	109.0055	0.848	59	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.7850	0.000	1	109.0055	0.848	59	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.7360	0.000	1	109.0055	0.848	59	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.9370	0.221	2	109.0055	0.848	59	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<4>,1|S<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	109.0190	0.000	1	109.0055	0.848	59	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.7160	0.000	1	109.0055	0.848	59	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	109.0510	0.214	4	109.0055	0.848	59	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	110.8740	0.000	1	109.0055	0.848	59	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	109.4687	0.053	3	109.0055	0.848	59	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|S<4>,2|C<3>,4|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	109.0660	0.000	1	109.0055	0.848	59	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|Si<4>,1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	104.1140	0.000	1	109.0055	0.848	59	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{2|C<3>,3|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.8600	0.000	1	109.0055	0.848	59	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{2|C<4>,5|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.6135	0.060	2	109.0055	0.848	59	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2{1|C<3>,1|O<2>,5|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.8360	0.000	1	108.7427	0.074	15	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.7470	0.017	2	108.7427	0.074	15	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2{1|N<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	109.4850	0.000	1	108.7427	0.074	15	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2{1|N<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.5230	0.000	1	108.7427	0.074	15	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2{1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	109.0325	0.006	2	108.7427	0.074	15	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.4525	0.026	2	108.7427	0.074	15	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.6987	0.044	3	108.7427	0.074	15	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2{3|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.5790	0.056	3	108.7427	0.074	15	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]O)(O[5]C[5,6])(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	109.6510	0.000	1	109.6510	0.000	1	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]O)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.8470	0.000	1	108.8395	0.000	2	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]O)(O[5]C[5])(H)2{1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.8320	0.000	1	108.8395	0.000	2	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O[5])(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]O[5])(O[5]C[5])(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	109.3980	0.000	1	109.3980	0.000	1	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]Ru)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6]Ru)(O[5]C[5])(H)2{2|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.8735	0.060	2	108.8735	0.004	2	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6a]C[6])(O[5]N[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6a]C[6])(O[5]N[5])(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.6380	0.000	1	108.6380	0.000	1	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6a]O[6])(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]C[6a]O[6])(O[5]C[5,6])(H)2{3|H<1>,4|C<3>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.6060	0.000	1	108.6060	0.000	1	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]N[5,6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]N[5,6]H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.8100	0.000	1	108.8100	0.000	1	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5])(H)2{1|C<4>,1|N<3>,4|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.8950	0.000	1	108.9580	0.008	2	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5])(H)2{1|N<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	109.0210	0.000	1	108.9580	0.008	2	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]O[5,6]C[6a])(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]O[5,6]C[6a])(O[5]C[5,6])(H)2{1|H<1>,3|C<3>,3|C<4>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.8830	0.079	2	108.8830	0.006	2	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]O[5,6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]O[5,6]H)(O[5]C[5,6])(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	109.0420	0.000	1	108.2020	1.411	2	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]O[5,6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]O[5,6]H)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	107.3620	0.000	1	108.2020	1.411	2	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]O[6]H)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	112.8340	0.000	1	110.4202	2.610	4	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]O[6]H)(O[5]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	109.6157	0.178	3	110.4202	2.610	4	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]O[6]H)(O[5]C[5])(H)2{1|C<3>,1|O<2>,3|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.7430	0.024	2	108.8917	0.067	3	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]O[6]H)(O[5]C[5])(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	109.1890	0.000	1	108.8917	0.067	3	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]S[6]H)(O[5]N[5,6])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6]S[6]H)(O[5]N[5,6])(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.8130	0.000	1	108.8130	0.000	1	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(O[5]C[5,6a])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(O[5]C[5,6a])(H)2{2|H<1>,5|C<3>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.5995	0.032	2	108.5995	0.001	2	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(O[5]C[5,5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5]C[6]2)(O[5]C[5,5])(H)2{1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.4980	0.170	3	108.4980	0.029	3	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(H)2{1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.9530	0.000	1	108.6727	0.061	3	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(H)2{1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.5325	0.056	2	108.6727	0.061	3	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(O[5]Si[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5]C[6]2)(O[5]Si[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	107.8390	0.000	1	107.8390	0.000	1	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5a,6]O[5,6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5a,6]O[5,6]H)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	109.1740	0.000	1	109.1083	0.005	3	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5a,6]O[5,6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[5a,6]O[5,6]H)(O[5]C[5,6])(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	109.0755	0.057	2	109.1083	0.005	3	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6]2C[5])(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[6,6]2C[5])(O[5]C[5])(H)2{1|C<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.2800	0.052	2	108.2800	0.003	2	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6]C[5]C[6])(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[6,6]C[5]C[6])(O[5]C[5])(H)2{1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.5500	0.000	1	108.5500	0.000	1	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6]N[5,6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[6,6]N[5,6]H)(O[5]C[5])(H)2{1|C<3>,1|O<1>,2|C<4>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.8520	0.000	1	108.8520	0.000	1	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6]O[5,6]C[6a])(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[6,6]O[5,6]C[6a])(O[5]C[5,6])(H)2{1|H<1>,3|C<3>,3|C<4>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.8850	0.000	1	108.8850	0.000	1	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6]O[5,6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[6,6]O[5,6]H)(O[5]C[5,6])(H)2{2|H<1>,3|C<4>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	109.0330	0.000	1	109.0330	0.000	1	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5,6])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.8920	0.050	3	108.8920	0.002	3	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.8000	0.000	1	108.8000	0.000	1	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[6,6a]N[5,6]H)(O[5]C[5])(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.8260	0.000	2	108.9477	0.044	3	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[6,6a]N[5,6]H)(O[5]C[5])(H)2{2|C<4>,3|C<3>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	109.1910	0.000	1	108.9477	0.044	3	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[6]2O[5])(O[5]C[5])(H)2{1|C<3>,1|O<2>,2|F<1>,4|C<4>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.9730	0.054	2	108.9353	0.006	3	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[6]2O[5])(O[5]C[5])(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.8600	0.000	1	108.9353	0.006	3	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6]2S[5])(O[5]P[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[6]2S[5])(O[5]P[5])(H)2{1|O<2>,1|S<1>,2|C<4>,4|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.2280	0.000	1	108.2280	0.000	1	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6]N[5]O[6])(O[5]C[5,5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[6]N[5]O[6])(O[5]C[5,5])(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.8690	0.031	2	108.8690	0.001	2	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6]O[5]O[6])(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[6]O[5]O[6])(O[5]C[5])(H)2{1|O<1>,4|C<4>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.8660	0.000	1	108.8865	0.001	2	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6]O[5]O[6])(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]C[6]O[5]O[6])(O[5]C[5])(H)2{2|O<2>,4|C<4>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.9070	0.000	1	108.8865	0.001	2	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,5]C[6]2)(O[5]C[5,5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]N[5,5]C[6]2)(O[5]C[5,5])(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.4685	0.227	2	108.4627	0.019	4	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,5]C[6]2)(O[5]C[5,5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]N[5,5]C[6]2)(O[5]C[5,5])(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.4570	0.064	2	108.4627	0.019	4	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]N[5,6,6]C[6]H)(O[5]C[5,6])(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.9770	0.000	1	108.9770	0.000	1	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]C)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]N[5,6]C[6]C)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	109.1560	0.000	1	109.1560	0.000	1	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.9205	0.199	2	109.3241	1.988	16	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.8590	0.000	1	109.3241	1.988	16	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.8880	0.020	2	109.3241	1.988	16	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2{1|H<1>,1|N<2>,1|O<2>,2|C<3>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	107.8220	0.000	1	109.3241	1.988	16	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	109.1645	0.110	2	109.3241	1.988	16	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	109.6266	1.853	5	109.3241	1.988	16	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.8540	0.000	1	109.3241	1.988	16	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2{1|N<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.8040	0.000	1	109.3241	1.988	16	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2{1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	112.7670	0.000	1	109.3241	1.988	16	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6a]C[6])(O[5]C[5])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]N[5,6]C[6a]C[6])(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,1|S<4>,3|C<3>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.8750	0.000	1	108.8750	0.000	1	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	109.1870	0.000	1	109.1870	0.000	1	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	109.0960	0.000	1	109.4227	1.703	85	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	109.0896	0.346	8	109.4227	1.703	85	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|F<1>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	109.9163	1.899	17	109.4227	1.703	85	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.9870	0.052	3	109.4227	1.703	85	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	109.0325	0.121	2	109.4227	1.703	85	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.9870	0.000	1	109.4227	1.703	85	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|H<1>,3|C<3>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.9370	0.000	1	109.4227	1.703	85	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	109.0384	0.083	5	109.4227	1.703	85	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.9380	0.000	1	109.4227	1.703	85	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	109.7974	1.702	23	109.4227	1.703	85	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|Pt<6>,1|O<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.8650	0.000	1	109.4227	1.703	85	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{2|C<3>,2|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	109.1475	0.047	2	109.4227	1.703	85	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{2|C<3>,3|H<1>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	109.0680	0.634	18	109.4227	1.703	85	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{2|H<1>,3|C<3>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	108.8690	0.109	2	109.4227	1.703	85	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]O[5,6]O[6]C)(O[5]C[5,6])(H)2	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	C[5](C[5,6]O[5,6]O[6]C)(O[5]C[5,6])(H)2{3|C<4>}	H(C[5]C[5,6]O[5]H)	H(C[5]C[5,6]O[5]H)	115.9470	0.000	1	115.9470	0.000	1	109.1257	1.339	364	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6a]C[6]H)(S[5]C[5,6a])(H)2	H(C[5]C[5,6]S[5]H)	H(C[5]C[5,6]S[5]H)	C[5](C[5,6]C[5,6,6a]C[6]H)(S[5]C[5,6a])(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5,6]S[5]H)	H(C[5]C[5,6]S[5]H)	108.4520	0.000	1	108.4520	0.000	1	108.8716	0.169	19	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(S[5]C[5])(H)2	H(C[5]C[5,6]S[5]H)	H(C[5]C[5,6]S[5]H)	C[5](C[5,6]C[5,6]C[6]C)(S[5]C[5])(H)2{1|N<3>,1|O<1>,2|C<3>}	H(C[5]C[5,6]S[5]H)	H(C[5]C[5,6]S[5]H)	108.7450	0.000	1	108.7450	0.000	1	108.8716	0.169	19	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]Cr)(S[5]C[5])(H)2	H(C[5]C[5,6]S[5]H)	H(C[5]C[5,6]S[5]H)	C[5](C[5,6]C[5,6]C[6]Cr)(S[5]C[5])(H)2{2|H<1>,3|C<4>}	H(C[5]C[5,6]S[5]H)	H(C[5]C[5,6]S[5]H)	108.8370	0.000	1	108.8370	0.000	1	108.8716	0.169	19	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6a]O[6])(S[5]C[5])(H)2	H(C[5]C[5,6]S[5]H)	H(C[5]C[5,6]S[5]H)	C[5](C[5,6]C[5,6]C[6a]O[6])(S[5]C[5])(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6]S[5]H)	H(C[5]C[5,6]S[5]H)	108.5190	0.000	1	108.5190	0.000	1	108.8716	0.169	19	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]N[5,6]H)(S[5]C[5])(H)2	H(C[5]C[5,6]S[5]H)	H(C[5]C[5,6]S[5]H)	C[5](C[5,6]C[5,6]N[5,6]H)(S[5]C[5])(H)2{1|C<3>,1|C<4>,1|N<3>,1|S<2>,2|H<1>}	H(C[5]C[5,6]S[5]H)	H(C[5]C[5,6]S[5]H)	108.9420	0.095	2	108.9420	0.009	2	108.8716	0.169	19	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(S[5]C[5])(H)2	H(C[5]C[5,6]S[5]H)	H(C[5]C[5,6]S[5]H)	C[5](C[5,6]C[5,6]O[6]H)(S[5]C[5])(H)2{1|C<3>,1|O<2>,3|H<1>}	H(C[5]C[5,6]S[5]H)	H(C[5]C[5,6]S[5]H)	108.6660	0.198	2	108.6660	0.039	2	108.8716	0.169	19	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(S[5]C[5])(H)2	H(C[5]C[5,6]S[5]H)	H(C[5]C[5,6]S[5]H)	C[5](C[5,6]C[5]C[6]2)(S[5]C[5])(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[5]C[5,6]S[5]H)	H(C[5]C[5,6]S[5]H)	108.5880	0.000	1	108.5880	0.000	1	108.8716	0.169	19	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5a,6]C[5,6]H)(S[5]C[5])(H)2	H(C[5]C[5,6]S[5]H)	H(C[5]C[5,6]S[5]H)	C[5](C[5,6]C[5a,6]C[5,6]H)(S[5]C[5])(H)2{1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,6]S[5]H)	H(C[5]C[5,6]S[5]H)	108.6030	0.000	1	108.6030	0.000	1	108.8716	0.169	19	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(S[5]C[5,6])(H)2	H(C[5]C[5,6]S[5]H)	H(C[5]C[5,6]S[5]H)	C[5](C[5,6]N[5,6]C[6]H)(S[5]C[5,6])(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[5]C[5,6]S[5]H)	H(C[5]C[5,6]S[5]H)	108.8045	0.056	2	108.8045	0.003	2	108.8716	0.169	19	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(S[5]C[5])(H)2	H(C[5]C[5,6]S[5]H)	H(C[5]C[5,6]S[5]H)	C[5](C[5,6]N[5,6]C[6]H)(S[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[5]C[5,6]S[5]H)	H(C[5]C[5,6]S[5]H)	109.1990	0.000	1	108.9373	0.030	6	108.8716	0.169	19	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(S[5]C[5])(H)2	H(C[5]C[5,6]S[5]H)	H(C[5]C[5,6]S[5]H)	C[5](C[5,6]N[5,6]C[6]H)(S[5]C[5])(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>}	H(C[5]C[5,6]S[5]H)	H(C[5]C[5,6]S[5]H)	108.8850	0.129	5	108.9373	0.030	6	108.8716	0.169	19	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(S[5]As[5,6])(H)2	H(C[5]C[5,6]S[5]H)	H(C[5]C[5,6]S[5]H)	C[5](C[5,6]O[5,6]C[6]H)(S[5]As[5,6])(H)2{1|C<4>,1|H<1>,1|O<2>,1|S<2>}	H(C[5]C[5,6]S[5]H)	H(C[5]C[5,6]S[5]H)	110.3680	0.000	1	110.3680	0.000	1	108.8716	0.169	19	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3x5]HH)(N[5]C[5,5])(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[3x5]HH)(N[5]C[5,5])(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.6577	0.045	3	108.6577	0.002	3	108.8499	2.504	168	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5])(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5])(H)2{1|C<2>,1|C<4>,1|N<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9410	0.000	1	108.3614	0.490	5	108.8499	2.504	168	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5])(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	107.1650	0.000	1	108.3614	0.490	5	108.8499	2.504	168	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5])(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5])(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.5670	0.180	3	108.3614	0.490	5	108.8499	2.504	168	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]N[5])(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]N[5])(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	106.9980	0.000	1	106.9980	0.000	1	108.8499	2.504	168	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5])(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.6140	0.000	1	108.6140	0.000	1	108.8499	2.504	168	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5])(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5])(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.5140	0.000	1	108.5140	0.000	1	108.8499	2.504	168	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5])(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5])(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.3400	0.000	1	109.1131	1.103	14	108.8499	2.504	168	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5])(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5])(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.5070	0.000	1	109.1131	1.103	14	108.8499	2.504	168	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5])(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5])(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.2310	0.000	1	109.1131	1.103	14	108.8499	2.504	168	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5])(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5])(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8140	0.000	1	109.1131	1.103	14	108.8499	2.504	168	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5])(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5])(H)2{1|N<3>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7170	0.000	1	109.1131	1.103	14	108.8499	2.504	168	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5])(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5])(H)2{1|N<3>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.5250	0.083	3	109.1131	1.103	14	108.8499	2.504	168	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5])(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5])(H)2{1|O<1>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	110.5130	1.253	3	109.1131	1.103	14	108.8499	2.504	168	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5])(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5])(H)2{1|Sn<4>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9320	0.000	1	109.1131	1.103	14	108.8499	2.504	168	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5])(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5])(H)2{4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.4645	1.414	2	109.1131	1.103	14	108.8499	2.504	168	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]N[5])(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]N[5])(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7970	0.000	1	108.7970	0.000	1	108.8499	2.504	168	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]2O[5])(N[5]C[5])(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]2O[5])(N[5]C[5])(H)2{5|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7313	0.042	4	108.7313	0.002	4	108.8499	2.504	168	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]N[5])(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]N[5])(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.6310	0.124	2	108.6310	0.015	2	108.8499	2.504	168	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(N[5]N[5])(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]N[5]C)(N[5]N[5])(H)2{3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.6890	0.000	1	108.6890	0.000	1	108.8499	2.504	168	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]C[5])(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]O[5]H)(N[5]C[5])(H)2{3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7900	0.000	1	108.7900	0.000	1	108.8499	2.504	168	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5]HH)(N[5]C[5,5])(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,5]HH)(N[5]C[5,5])(H)2{1|C<3>,1|S<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	107.6468	1.972	5	108.4838	1.642	14	108.8499	2.504	168	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5]HH)(N[5]C[5,5])(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,5]HH)(N[5]C[5,5])(H)2{1|C<4>,1|N<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1090	0.065	2	108.4838	1.642	14	108.8499	2.504	168	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5]HH)(N[5]C[5,5])(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,5]HH)(N[5]C[5,5])(H)2{1|C<4>,1|N<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9030	0.212	7	108.4838	1.642	14	108.8499	2.504	168	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6]HH)(N[5]C[5,6])(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6]HH)(N[5]C[5,6])(H)2{1|C<3>,1|N<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.6220	0.000	1	108.5423	0.002	7	108.8499	2.504	168	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6]HH)(N[5]C[5,6])(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6]HH)(N[5]C[5,6])(H)2{1|C<3>,1|N<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.4940	0.000	1	108.5423	0.002	7	108.8499	2.504	168	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6]HH)(N[5]C[5,6])(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6]HH)(N[5]C[5,6])(H)2{2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.5360	0.035	5	108.5423	0.002	7	108.8499	2.504	168	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6a]HH)(N[5]C[5,6a])(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6a]HH)(N[5]C[5,6a])(H)2{2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	107.8640	0.000	1	107.8640	0.000	1	108.8499	2.504	168	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5])(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5])(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0780	0.000	1	109.0937	5.346	50	108.8499	2.504	168	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5])(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5])(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9131	2.441	18	109.0937	5.346	50	108.8499	2.504	168	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5])(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5])(H)2{1|C<3>,1|N<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.5485	0.052	2	109.0937	5.346	50	108.8499	2.504	168	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5])(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5])(H)2{1|C<3>,1|S<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	113.6860	0.000	1	109.0937	5.346	50	108.8499	2.504	168	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5])(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5])(H)2{1|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1300	0.274	4	109.0937	5.346	50	108.8499	2.504	168	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5])(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5])(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.3820	0.233	2	109.0937	5.346	50	108.8499	2.504	168	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5])(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5])(H)2{1|C<4>,1|N<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.6740	0.000	1	109.0937	5.346	50	108.8499	2.504	168	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5])(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5])(H)2{1|C<4>,1|W<6>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.4435	0.040	2	109.0937	5.346	50	108.8499	2.504	168	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5])(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5])(H)2{1|Fe<6>,1|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	100.9720	0.000	1	109.0937	5.346	50	108.8499	2.504	168	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5])(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5])(H)2{1|H<1>,1|N<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	110.8887	2.807	3	109.0937	5.346	50	108.8499	2.504	168	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5])(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5])(H)2{1|H<1>,1|N<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2262	0.146	4	109.0937	5.346	50	108.8499	2.504	168	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5])(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5])(H)2{1|H<1>,1|O<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	104.9080	0.000	1	109.0937	5.346	50	108.8499	2.504	168	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5])(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5])(H)2{1|N<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	110.5255	2.567	4	109.0937	5.346	50	108.8499	2.504	168	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5])(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5])(H)2{1|Ni<4>,1|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1860	0.000	1	109.0937	5.346	50	108.8499	2.504	168	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5])(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5])(H)2{1|S<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2125	0.091	2	109.0937	5.346	50	108.8499	2.504	168	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5])(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5])(H)2{1|Zn<4>,1|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1520	0.000	1	109.0937	5.346	50	108.8499	2.504	168	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5])(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5])(H)2{2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.6150	0.095	2	109.0937	5.346	50	108.8499	2.504	168	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5])(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]CH)(N[5]C[5])(H)2{1|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8445	0.059	4	108.8445	0.003	4	108.8499	2.504	168	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5])(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5])(H)2{1|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9123	1.056	33	109.0702	1.966	40	108.8499	2.504	168	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5])(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5])(H)2{1|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.8146	2.460	7	109.0702	1.966	40	108.8499	2.504	168	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]P[5,6])(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]P[5,6])(H)2{2|N<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.5500	0.000	1	108.5500	0.000	1	108.8499	2.504	168	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]S[5]CC)(N[5]C[5])(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]CC)(N[5]C[5])(H)2{1|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.0890	0.000	1	108.0890	0.000	1	108.8499	2.504	168	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]S[5]CH)(N[5]C[5])(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]CH)(N[5]C[5])(H)2{1|S<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.0260	0.000	1	108.0260	0.000	1	108.8499	2.504	168	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5])(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5])(H)2{1|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	107.9260	0.000	1	108.3241	1.566	15	108.8499	2.504	168	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5])(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5])(H)2{1|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	107.9620	0.000	1	108.3241	1.566	15	108.8499	2.504	168	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5])(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5])(H)2{1|N<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.1347	0.217	4	108.3241	1.566	15	108.8499	2.504	168	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5])(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5])(H)2{1|S<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	112.7970	0.000	1	108.3241	1.566	15	108.8499	2.504	168	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5])(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5])(H)2{1|S<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	107.9546	0.189	8	108.3241	1.566	15	108.8499	2.504	168	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3,5]CC)(O[5]C[3,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[3,5]CC)(O[5]C[3,5])(H)2{1|C<3>,1|C<4>,1|O<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	119.2630	0.000	1	119.2630	0.000	1	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3,5]C[6a]O)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[3,5]C[6a]O)(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7310	0.000	1	108.7310	0.000	1	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3,5]HH)(O[5]C[3,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[3,5]HH)(O[5]C[3,5])(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.5440	0.000	1	108.5440	0.000	1	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3,5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[3,5]HH)(O[5]C[5])(H)2{1|O<1>,2|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6873	0.047	3	108.6873	0.002	3	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[3]N[5]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8780	0.000	1	108.8780	0.000	1	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[3]O[5]H)(O[5]C[5])(H)2{1|H<1>,4|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	110.5195	5.148	4	110.5195	26.497	4	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3x5]HH)(O[5]C[3x5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[3x5]HH)(O[5]C[3x5])(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8560	0.027	2	108.9140	0.005	4	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3x5]HH)(O[5]C[3x5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[3x5]HH)(O[5]C[3x5])(H)2{1|C<3>,1|N<3>,2|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9980	0.000	1	108.9140	0.005	4	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3x5]HH)(O[5]C[3x5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[3x5]HH)(O[5]C[3x5])(H)2{1|C<4>,1|N<3>,2|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9460	0.000	1	108.9140	0.005	4	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3x5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[3x5]HH)(O[5]C[5,5])(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9480	0.000	1	108.9480	0.000	1	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[4,5]CC)(O[5]C[4,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[4,5]CC)(O[5]C[4,5])(H)2{1|C<3>,1|C<4>,2|O<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.1880	2.739	7	109.1880	7.504	7	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[4,5]CH)(O[5]C[4,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[4,5]CH)(O[5]C[4,5])(H)2{1|Cl<1>,1|N<3>,2|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7470	0.000	1	108.7470	0.000	1	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[4,5]HH)(O[5]C[4,5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[4,5]HH)(O[5]C[4,5,6])(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6180	0.000	1	108.6180	0.000	1	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[4,5]HH)(O[5]C[4,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[4,5]HH)(O[5]C[4,5])(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7620	0.000	1	108.8890	0.138	4	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[4,5]HH)(O[5]C[4,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[4,5]HH)(O[5]C[4,5])(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9313	0.443	3	108.8890	0.138	4	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[4,5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[4,5]HH)(O[5]C[5])(H)2{1|O<1>,2|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9200	0.000	1	108.9200	0.000	1	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[4,5]HO)(O[5]C[4,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[4,5]HO)(O[5]C[4,5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8850	0.000	1	108.8210	0.008	2	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[4,5]HO)(O[5]C[4,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[4,5]HO)(O[5]C[4,5])(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7570	0.000	1	108.8210	0.008	2	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[4]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[4]O[5]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.6115	1.248	2	109.0910	0.335	8	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[4]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[4]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9100	0.092	4	109.0910	0.335	8	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[4]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[4]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9325	0.196	2	109.0910	0.335	8	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,3x6]HH)(O[5]C[5,3x6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,3x6]HH)(O[5]C[5,3x6])(H)2{4|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6300	0.000	1	108.6300	0.000	1	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5,6]C[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6880	0.000	1	108.6880	0.000	1	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5,6])(H)2{1|C<3>,1|N<3>,2|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.5150	0.000	1	108.7122	0.061	5	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5,6])(H)2{1|C<3>,3|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.3780	0.000	1	108.7122	0.061	5	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5,6])(H)2{1|C<4>,1|N<3>,2|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8820	0.031	2	108.7122	0.061	5	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5,6])(H)2{4|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9040	0.000	1	108.7122	0.061	5	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.4180	0.000	1	108.3980	0.001	2	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5])(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.3780	0.000	1	108.3980	0.001	2	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5,6]HH)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.5310	0.000	1	108.5310	0.000	1	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]HO)(O[5]C[5,5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5,6]HO)(O[5]C[5,5,6])(H)2{4|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9390	0.000	1	108.9390	0.000	1	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CC)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]CC)(O[5]C[5,5])(H)2{2|C<3>,2|N<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9010	0.000	1	108.9010	0.000	1	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]CC)(O[5]C[5])(H)2{1|C<3>,1|O<1>,1|O<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7407	0.109	4	108.7407	0.012	4	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7960	0.000	1	108.8772	0.010	6	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9310	0.000	1	108.8772	0.010	6	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8953	0.143	3	108.8772	0.010	6	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8500	0.000	1	108.8772	0.010	6	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]CH)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6700	0.000	1	109.0753	0.809	3	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]CH)(O[5]C[5])(H)2{1|C<3>,1|O<1>,1|O<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	110.1060	0.000	1	109.0753	0.809	3	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]CH)(O[5]C[5])(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.4500	0.000	1	109.0753	0.809	3	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CO)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]CO)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>,2|O<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.1310	0.000	1	108.8717	0.056	3	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CO)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]CO)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6700	0.000	1	108.8717	0.056	3	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CO)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]CO)(O[5]C[5,5])(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8140	0.000	1	108.8717	0.056	3	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C[5]C)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]C[5]C)(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7160	0.000	1	108.7160	0.000	1	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a]2)(O[5]B[5,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]C[6a]2)(O[5]B[5,5])(H)2{2|C<4>,5|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.4050	0.000	1	108.4050	0.000	1	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]ClH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]ClH)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8740	0.000	1	108.8740	0.000	1	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[3x5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HH)(O[5]C[3x5])(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6610	0.016	2	108.6610	0.000	2	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HH)(O[5]C[5,5,6])(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6310	0.000	1	108.6310	0.000	1	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8930	0.229	4	108.9821	0.262	37	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8530	0.000	1	108.9821	0.262	37	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8740	0.000	1	108.9821	0.262	37	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	110.3880	0.000	1	108.9821	0.262	37	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9665	0.066	6	108.9821	0.262	37	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.0906	1.057	7	108.9821	0.262	37	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9780	0.001	2	108.9821	0.262	37	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|C<4>,1|N<3>,2|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9970	0.000	1	108.9821	0.262	37	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9331	0.117	7	108.9821	0.262	37	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9185	0.098	4	108.9821	0.262	37	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6857	0.068	3	108.9821	0.262	37	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8310	0.130	5	108.8679	0.167	20	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.5320	0.000	1	108.8679	0.167	20	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2{1|C<4>,1|N<3>,1|O<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.0689	0.650	7	108.8679	0.167	20	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2{1|C<4>,1|O<1>,1|O<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8410	0.000	1	108.8679	0.167	20	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6170	0.000	1	108.8679	0.167	20	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2{1|O<1>,2|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7775	0.078	4	108.8679	0.167	20	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2{2|C<3>,2|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6210	0.000	1	108.8679	0.167	20	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]N[5,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HH)(O[5]N[5,5])(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.3640	0.000	1	108.3640	0.000	1	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]N[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HH)(O[5]N[5])(H)2{3|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.2320	0.000	1	108.2320	0.000	1	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	110.7510	0.000	1	110.7510	0.000	1	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[3x5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HO)(O[5]C[3x5])(H)2{1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8010	0.000	1	108.8010	0.000	1	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.4930	0.000	1	109.1916	0.984	21	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2{1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8000	0.073	3	109.1916	0.984	21	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6270	0.000	1	109.1916	0.984	21	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.0493	0.640	15	109.1916	0.984	21	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2{2|H<1>,2|N<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	112.7640	0.000	1	109.1916	0.984	21	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HP)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]HP)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6883	0.070	6	108.6883	0.005	6	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]NN)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]NN)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9909	0.127	9	108.9909	0.016	9	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]N[5]H)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]N[5]H)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8439	0.075	8	108.8439	0.006	8	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]N[5a]H)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]N[5a]H)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7427	0.064	3	108.7427	0.004	3	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]OO)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]OO)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6080	0.000	1	108.6080	0.000	1	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]SiH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,5]SiH)(O[5]C[5])(H)2{1|O<1>,2|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6936	0.016	5	108.6936	0.000	5	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6,6])(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9280	0.081	2	108.9280	0.006	2	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.4520	0.052	2	108.4574	0.008	8	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.4514	0.116	5	108.4574	0.008	8	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(H)2{1|O<2>,3|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.4980	0.000	1	108.4574	0.008	8	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CC)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]CC)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,2|O<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.4640	0.000	1	109.0780	0.298	2	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CC)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]CC)(O[5]C[5,6])(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6920	0.000	1	109.0780	0.298	2	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.5875	0.132	2	109.6023	9.571	17	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,2|O<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8440	0.000	1	109.6023	9.571	17	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.5950	0.000	1	109.6023	9.571	17	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2{1|Cr<9>,2|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	116.8475	5.744	2	109.6023	9.571	17	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2{1|H<1>,1|N<3>,2|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.5040	0.023	2	109.6023	9.571	17	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8560	0.198	2	109.6023	9.571	17	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.0050	0.625	2	109.6023	9.571	17	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.3900	0.000	1	109.6023	9.571	17	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2{2|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.4525	0.143	4	109.6023	9.571	17	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]CH)(O[5]C[5])(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8490	0.000	1	108.8490	0.000	1	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6070	0.000	1	108.5947	0.000	3	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.5885	0.008	2	108.5947	0.000	3	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CO)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]CO)(O[5]C[5])(H)2{1|O<1>,2|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8880	0.000	1	108.8880	0.000	1	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]C[6a]2)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]C[6a]2)(O[5]C[5,6])(H)2{2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6265	0.018	2	108.6265	0.000	2	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]C[6a]C)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]C[6a]C)(O[5]C[5,6])(H)2{1|C<2>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.4700	0.000	1	108.3567	0.010	3	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]C[6a]C)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]C[6a]C)(O[5]C[5,6])(H)2{1|C<2>,1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.3000	0.003	2	108.3567	0.010	3	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]C[6a]O)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]C[6a]O)(O[5]C[5,6])(H)2{1|C<4>,3|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.4560	0.000	1	108.4560	0.000	1	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[4,5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]HH)(O[5]C[4,5,6])(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.5220	0.000	1	108.5220	0.000	1	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]HH)(O[5]C[5,5,6])(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7200	0.000	1	108.5817	0.014	3	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]HH)(O[5]C[5,5,6])(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.5125	0.013	2	108.5817	0.014	3	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6,6])(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.3840	0.000	1	108.3840	0.000	1	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.5460	0.000	2	108.5362	0.685	51	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7060	0.000	1	108.5362	0.685	51	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.5735	0.400	22	108.5362	0.685	51	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.5785	0.121	2	108.5362	0.685	51	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.4940	0.198	3	108.5362	0.685	51	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6640	0.000	1	108.5362	0.685	51	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.5580	0.000	1	108.5362	0.685	51	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.3893	0.218	3	108.5362	0.685	51	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	110.1560	1.928	2	108.5362	0.685	51	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6048	0.111	6	108.5362	0.685	51	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{2|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.4820	0.000	1	108.5362	0.685	51	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	107.5774	2.049	5	108.5362	0.685	51	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{3|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7960	0.018	2	108.5362	0.685	51	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]HH)(O[5]C[5])(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7690	0.000	1	108.8180	0.012	3	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]HH)(O[5]C[5])(H)2{1|C<4>,1|N<3>,1|O<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9410	0.000	1	108.8180	0.012	3	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]HH)(O[5]C[5])(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7440	0.000	1	108.8180	0.012	3	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HN)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]HN)(O[5]C[5,6])(H)2{1|C<4>,1|H<1>,1|N<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8510	0.000	1	108.8510	0.000	1	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.5347	0.126	3	108.5516	0.019	5	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7240	0.000	1	108.5516	0.019	5	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.4300	0.000	1	108.5516	0.019	5	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(H)2{2|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.4914	0.093	9	108.4914	0.009	9	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(H)2{2|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.5353	0.340	10	108.5353	0.116	10	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2{1|C<3>,1|N<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.6154	1.598	5	108.7205	0.550	34	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2{2|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.5662	0.340	29	108.7205	0.550	34	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]N[5,6a])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6a]HH)(O[5]N[5,6a])(H)2{2|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.3190	0.000	1	108.3190	0.000	1	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]HO)(O[5]C[5,6a])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5,6a]HO)(O[5]C[5,6a])(H)2{2|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.4500	0.000	1	108.4500	0.000	1	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]2H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]2H)(O[5]C[5])(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6810	0.000	1	108.5950	0.015	2	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]2H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]2H)(O[5]C[5])(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.5090	0.000	1	108.5950	0.015	2	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]2H)(O[5]Si[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]2H)(O[5]Si[5])(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.2352	2.325	5	108.2352	5.407	5	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]BrH)(O[5]N[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]BrH)(O[5]N[5])(H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7560	0.000	1	108.7560	0.000	1	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CC)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7210	0.000	1	108.7210	0.000	1	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CC)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.3950	0.000	1	112.7430	22.418	2	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CC)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,2|O<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	116.0910	0.000	1	112.7430	22.418	2	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CC)(O[5]C[5])(H)2{1|C<2>,1|O<1>,1|O<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6105	0.057	2	109.1607	4.987	16	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CC)(O[5]C[5])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6400	0.136	3	109.1607	4.987	16	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CC)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.5650	0.000	1	109.1607	4.987	16	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CC)(O[5]C[5])(H)2{1|H<1>,1|N<3>,1|O<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6630	0.000	1	109.1607	4.987	16	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CC)(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.7064	3.162	8	109.1607	4.987	16	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CC)(O[5]C[5])(H)2{1|O<1>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.5510	0.000	1	109.1607	4.987	16	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CH)(O[5]C[5,6])(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9080	0.000	1	108.8937	0.000	3	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CH)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8865	0.019	2	108.8937	0.000	3	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.5514	0.283	5	108.8426	1.380	64	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.4958	0.073	4	108.8426	1.380	64	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6490	0.000	1	108.8426	1.380	64	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7130	0.079	2	108.8426	1.380	64	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.4380	0.000	1	108.8426	1.380	64	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.3864	1.325	5	108.8426	1.380	64	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7349	0.108	10	108.8426	1.380	64	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6699	0.121	8	108.8426	1.380	64	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7910	1.195	12	108.8426	1.380	64	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7450	0.000	1	108.8426	1.380	64	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.5686	0.553	8	108.8426	1.380	64	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9180	0.000	1	108.8426	1.380	64	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|O<1>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	112.4370	5.616	2	108.8426	1.380	64	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6125	0.576	2	108.8426	1.380	64	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{2|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.5390	0.000	1	108.8426	1.380	64	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{4|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6930	0.000	1	108.8426	1.380	64	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(O[5]N[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CH)(O[5]N[5])(H)2{1|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6945	0.094	2	108.6945	0.009	2	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CN)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CN)(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.2347	4.339	3	108.2347	18.825	3	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CO)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CO)(O[5]C[5,5])(H)2{1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.4890	0.000	1	108.4890	0.000	1	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CO)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CO)(O[5]C[5,6])(H)2{1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7690	0.000	1	108.7690	0.000	1	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CO)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CO)(O[5]C[5])(H)2{1|C<3>,1|O<1>,1|O<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6800	0.123	3	108.9933	1.008	8	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CO)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CO)(O[5]C[5])(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8100	0.000	1	108.9933	1.008	8	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CO)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CO)(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.2740	1.458	4	108.9933	1.008	8	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CO)(O[5]N[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CO)(O[5]N[5])(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7550	0.074	2	108.7550	0.005	2	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]B[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]B[5])(H)2{1|C<3>,1|N<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	106.8180	0.000	1	106.8180	0.000	1	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[4,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[4,5])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6087	0.300	3	108.6087	0.090	3	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5,5])(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.4620	0.000	1	108.5268	0.008	5	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5,5])(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.5975	0.028	2	108.5268	0.008	5	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5,5])(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.3990	0.000	1	108.5268	0.008	5	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5,5])(H)2{2|Cl<1>,1|C<3>,1|O<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.5780	0.000	1	108.5268	0.008	5	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5,6])(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.4840	0.000	1	108.3744	0.742	16	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5,6])(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6805	0.286	2	108.3744	0.742	16	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5,6])(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7542	0.037	6	108.3744	0.742	16	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5,6])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	107.8260	1.271	6	108.3744	0.742	16	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5,6])(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6650	0.000	1	108.3744	0.742	16	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|B<4>,1|H<1>,1|O<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	110.7950	0.000	1	108.6739	0.695	3870	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|Br<1>,1|N<3>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6820	0.000	1	108.6739	0.695	3870	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<2>,1|C<3>,1|F<1>,1|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.4720	0.000	1	108.6739	0.695	3870	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<2>,1|C<3>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.4220	0.000	1	108.6739	0.695	3870	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.4860	0.000	1	108.6739	0.695	3870	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.4738	0.191	5	108.6739	0.695	3870	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6838	0.220	5	108.6739	0.695	3870	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.0695	0.438	2	108.6739	0.695	3870	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<2>,1|P<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9290	0.000	1	108.6739	0.695	3870	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6000	0.000	1	108.6739	0.695	3870	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,1|I<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6540	0.000	1	108.6739	0.695	3870	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,1|N<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	110.3410	0.000	1	108.6739	0.695	3870	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.5643	3.507	11	108.6739	0.695	3870	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9530	0.000	1	108.6739	0.695	3870	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,1|S<3>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.0800	0.000	1	108.6739	0.695	3870	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7300	0.281	2	108.6739	0.695	3870	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.5442	0.267	5	108.6739	0.695	3870	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.0376	2.979	7	108.6739	0.695	3870	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.5100	0.000	1	108.6739	0.695	3870	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.5640	0.000	1	108.6739	0.695	3870	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.5303	0.246	3	108.6739	0.695	3870	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<4>,1|O<1>,1|S<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.4700	0.000	1	108.6739	0.695	3870	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8245	0.359	2	108.6739	0.695	3870	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8490	0.000	1	108.6739	0.695	3870	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.5680	0.214	21	108.6739	0.695	3870	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<6>,3|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.5255	0.043	2	108.6739	0.695	3870	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|H<1>,1|N<3>,1|O<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.4670	1.255	3	108.6739	0.695	3870	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7446	0.328	14	108.6739	0.695	3870	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|H<1>,1|N<4>,1|O<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8140	0.000	1	108.6739	0.695	3870	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6897	0.102	3	108.6739	0.695	3870	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|Ir<6>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6803	0.201	3	108.6739	0.695	3870	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6085	0.091	2	108.6739	0.695	3870	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|N<3>,3|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7259	0.164	13	108.6739	0.695	3870	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|O<1>,2|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8113	0.113	3	108.6739	0.695	3870	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|O<1>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6960	0.074	2	108.6739	0.695	3870	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9145	0.064	2	108.6739	0.695	3870	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|O<2>,3|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.4820	0.000	1	108.6739	0.695	3870	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|P<4>,3|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6750	0.000	1	108.6739	0.695	3870	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|Re<6>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8700	0.000	1	108.6739	0.695	3870	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|Ru<6>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8300	0.000	1	108.6739	0.695	3870	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|Ru<7>,1|C<4>,1|C<5>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.3080	0.000	1	108.6739	0.695	3870	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|Ru<8>,1|Ru<9>,1|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.0410	0.419	3	108.6739	0.695	3870	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|Ru<9>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.0270	0.000	1	108.6739	0.695	3870	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|Si<4>,1|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.1590	0.980	8	108.6739	0.695	3870	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{2|Br<1>,1|C<3>,1|O<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6135	0.063	2	108.6739	0.695	3870	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.4020	0.000	1	108.6739	0.695	3870	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{2|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.5870	0.096	4	108.6739	0.695	3870	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6014	0.281	9	108.6739	0.695	3870	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{3|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8730	0.448	9	108.6739	0.695	3870	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{4|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6674	0.817	3702	108.6739	0.695	3870	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]N[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]N[5])(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6800	0.000	1	108.6800	0.000	1	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]P[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]P[5])(H)2{1|C<4>,1|W<6>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.2280	0.000	1	108.2143	0.013	3	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]P[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]P[5])(H)2{1|Mo<6>,2|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.2075	0.161	2	108.2143	0.013	3	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]S[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]S[5])(H)2{2|H<1>,2|O<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.3990	0.214	3	108.3990	0.046	3	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HN)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HN)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	114.2130	0.000	1	114.2130	0.000	1	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	110.8180	0.000	1	108.6130	0.450	24	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.4590	0.000	1	108.6130	0.450	24	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|C<3>,1|O<1>,1|O<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8270	0.000	1	108.6130	0.450	24	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.5123	0.065	3	108.6130	0.450	24	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	107.9972	0.875	4	108.6130	0.450	24	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8430	0.000	1	108.6130	0.450	24	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.5550	0.000	1	108.6130	0.450	24	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|C<4>,1|O<1>,1|O<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6440	0.000	1	108.6130	0.450	24	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6375	0.153	2	108.6130	0.450	24	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	107.5990	0.000	1	108.6130	0.450	24	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6770	0.171	3	108.6130	0.450	24	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|N<3>,3|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.1390	0.000	1	108.6130	0.450	24	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{2|H<1>,2|N<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6933	0.047	3	108.6130	0.450	24	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{4|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9170	0.000	1	108.6130	0.450	24	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]N[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HO)(O[5]N[5])(H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.5950	0.000	1	108.5950	0.000	1	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HP)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HP)(O[5]C[5])(H)2{1|O<1>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7020	0.000	1	108.7020	0.000	1	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HS)(O[5]N[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HS)(O[5]N[5])(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9375	0.070	2	108.9375	0.005	2	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HW)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HW)(O[5]C[5])(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7550	0.000	1	108.7550	0.000	1	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]N[5]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9580	0.000	1	109.7345	2.390	8	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]N[5]H)(O[5]C[5])(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	110.4977	1.976	4	109.7345	2.390	8	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]N[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.4560	0.000	1	109.7345	2.390	8	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]N[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7930	0.000	1	109.7345	2.390	8	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]N[5]H)(O[5]C[5])(H)2{1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6780	0.000	1	109.7345	2.390	8	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]O[5]C)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]O[5]C)(O[5]C[5])(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	110.9253	0.610	4	110.9253	0.372	4	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]O[5]H)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7890	0.000	1	108.9357	0.051	3	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]O[5]H)(O[5]C[5,6])(H)2{1|N<2>,3|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.1950	0.000	1	108.9357	0.051	3	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]O[5]H)(O[5]C[5,6])(H)2{1|N<3>,4|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8230	0.000	1	108.9357	0.051	3	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.0135	0.138	2	109.0950	1.955	85	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.0060	0.000	1	109.0950	1.955	85	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.0868	0.088	5	109.0950	1.955	85	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	116.7710	0.000	1	109.0950	1.955	85	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.2397	0.811	6	109.0950	1.955	85	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<2>,1|S<2>,2|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8700	0.000	1	109.0950	1.955	85	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9747	1.236	67	109.0950	1.955	85	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|H<1>,4|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.1140	0.211	2	109.0950	1.955	85	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]P[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]O[5]H)(O[5]P[5])(H)2{1|C<4>,1|H<1>,4|O<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7553	0.063	6	108.7553	0.004	6	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]RuC)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]RuC)(O[5]C[5,5])(H)2{1|O<2>,2|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7700	0.000	1	108.7700	0.000	1	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]RuC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]RuC)(O[5]C[5])(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.5560	0.185	2	108.5560	0.034	2	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5a]C[5]C)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5a]C[5]C)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.0130	0.021	2	109.0340	0.002	3	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5a]C[5]C)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5a]C[5]C)(O[5]C[5])(H)2{1|C<3>,1|N<3>,2|C<4>,2|O<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.0760	0.000	1	109.0340	0.002	3	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5a]C[5]H)(O[5]C[5])(H)2{1|C<4>,3|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.4530	0.000	1	108.6375	0.068	2	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5a]C[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8220	0.000	1	108.6375	0.068	2	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5a]N[5]H)(O[5]C[5])(H)2{1|C<4>,1|N<2>,1|N<3>,1|O<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8890	0.000	1	108.8890	0.000	1	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6]N[5]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9255	0.086	2	108.8342	0.010	5	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6]N[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7733	0.055	3	108.8342	0.010	5	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6]O[5]C)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6]O[5]C)(O[5]C[5])(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9800	0.013	2	108.9800	0.000	2	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6]O[5]H)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6]O[5]H)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.0790	0.000	1	109.0790	0.000	1	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6]O[5]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9150	0.000	1	109.2355	0.797	15	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6]O[5]H)(O[5]C[5])(H)2{1|C<3>,3|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8615	0.063	4	109.2355	0.797	15	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.0160	0.008	2	109.2355	0.797	15	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.9112	1.683	4	109.2355	0.797	15	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6]O[5]H)(O[5]C[5])(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.0750	0.082	2	109.2355	0.797	15	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6]O[5]H)(O[5]C[5])(H)2{1|H<1>,4|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.1725	0.042	2	109.2355	0.797	15	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]2C[5])(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]2C[5])(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8800	0.000	1	108.8800	0.000	1	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]2N[5])(O[5]S[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]2N[5])(O[5]S[5])(H)2{1|H<1>,2|O<1>,4|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9480	0.000	1	108.9480	0.000	1	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]2O[5])(O[5]S[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]2O[5])(O[5]S[5])(H)2{1|O<1>,4|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	114.1530	0.000	1	114.1530	0.000	1	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]C[5]C)(O[5]C[5])(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6670	0.000	1	108.6990	0.001	3	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]C[5]C)(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7150	0.023	2	108.6990	0.001	3	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5,5])(H)2{1|H<1>,1|O<2>,4|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7230	0.000	1	108.7230	0.000	1	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5,6])(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6355	0.073	2	108.6355	0.005	2	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8160	0.000	1	108.7111	0.021	10	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8710	0.000	1	108.7111	0.021	10	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(H)2{1|C<4>,3|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6410	0.000	1	108.7111	0.021	10	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7950	0.089	2	108.7111	0.021	10	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(H)2{1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6380	0.218	3	108.7111	0.021	10	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(H)2{4|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6395	0.042	2	108.7111	0.021	10	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(H)2{1|H<1>,1|N<2>,3|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7350	0.000	1	108.7350	0.000	1	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]C[5]O)(O[5]C[5])(H)2{1|O<1>,3|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.5590	0.000	1	108.5420	0.032	4	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]C[5]O)(O[5]C[5])(H)2{1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.5210	0.000	1	108.5420	0.032	4	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]C[5]O)(O[5]C[5])(H)2{2|H<1>,3|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.5440	0.307	2	108.5420	0.032	4	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[6]O[5])(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]C[6]O[5])(O[5]C[5])(H)2{1|H<1>,3|C<3>,3|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	107.9470	0.000	1	107.9470	0.000	1	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]C)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|N<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.0260	0.000	1	108.9420	2.514	4	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]C)(O[5]C[5])(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.0310	2.729	2	108.9420	2.514	4	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]C)(O[5]C[5])(H)2{1|S<1>,3|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6800	0.000	1	108.9420	2.514	4	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(O[5]S[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]C)(O[5]S[5])(H)2{1|H<1>,2|C<3>,2|O<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8100	0.000	1	108.8100	0.000	1	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|C<2>,1|O<1>,2|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.5710	0.000	1	109.0974	1.745	222	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9401	0.871	23	109.0974	1.745	222	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	112.5883	6.004	3	109.0974	1.745	222	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|C<4>,4|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8672	0.150	4	109.0974	1.745	222	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Co<4>,3|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.0425	0.183	2	109.0974	1.745	222	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Cu<2>,3|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7690	0.000	1	109.0974	1.745	222	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Cu<4>,1|C<4>,2|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	112.8833	0.918	4	109.0974	1.745	222	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Cu<4>,3|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7967	0.280	3	109.0974	1.745	222	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Fe<4>,3|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8985	0.155	2	109.0974	1.745	222	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Fe<5>,3|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8660	0.075	6	109.0974	1.745	222	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Fe<6>,3|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8887	0.176	33	109.0974	1.745	222	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|H<1>,4|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8420	0.000	1	109.0974	1.745	222	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Ir<6>,1|C<4>,2|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	110.7555	2.289	2	109.0974	1.745	222	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Ir<6>,3|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.4665	0.059	2	109.0974	1.745	222	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Ni<3>,1|C<4>,2|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9645	0.032	2	109.0974	1.745	222	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Ni<4>,1|C<4>,2|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9580	0.061	8	109.0974	1.745	222	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Ni<4>,3|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9554	0.062	5	109.0974	1.745	222	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|O<1>,1|S<3>,2|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6170	0.000	1	109.0974	1.745	222	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|O<1>,3|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.1752	2.404	29	109.0974	1.745	222	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Pd<4>,1|C<4>,2|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8741	0.153	11	109.0974	1.745	222	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Pd<4>,3|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8218	0.129	12	109.0974	1.745	222	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Pt<4>,3|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6920	0.000	1	109.0974	1.745	222	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Rh<6>,3|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9073	0.081	3	109.0974	1.745	222	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Ru<6>,3|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9162	0.155	6	109.0974	1.745	222	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Ru<9>,1|C<4>,2|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.2490	0.302	3	109.0974	1.745	222	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|S<1>,3|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6980	0.000	1	109.0974	1.745	222	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Sn<3>,3|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8755	0.120	2	109.0974	1.745	222	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Sn<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	112.6300	0.000	1	109.0974	1.745	222	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Zn<3>,3|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8947	0.016	3	109.0974	1.745	222	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Zn<4>,1|C<4>,2|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.2020	0.000	1	109.0974	1.745	222	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Zn<4>,3|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9193	0.120	28	109.0974	1.745	222	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{2|C<4>,3|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.0690	0.000	1	109.0974	1.745	222	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{3|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9907	0.533	17	109.0974	1.745	222	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(O[5]P[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]P[5,6])(H)2{1|H<1>,2|C<3>,2|N<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.3705	0.171	4	108.3705	0.029	4	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(O[5]B[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]O[5]H)(O[5]B[5])(H)2{1|B<3>,2|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8020	0.008	2	108.8020	0.000	2	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(H)2{1|O<1>,2|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.1400	0.000	1	109.1400	0.000	1	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]Se[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[6a]Se[5]H)(O[5]C[5])(H)2{1|N<2>,2|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	107.7860	0.000	1	107.7860	0.000	1	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[3x5]CC)(O[5]Ge[3x5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[3x5]CC)(O[5]Ge[3x5])(H)2{1|Br<1>,2|C<4>,2|O<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	107.9800	0.000	1	107.9800	0.000	1	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[3x5]HH)(O[5]B[3x5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[3x5]HH)(O[5]B[3x5])(H)2{2|C<4>,2|O<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	107.3330	1.138	3	107.3330	1.296	3	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[3x5]HH)(O[5]Ge[3x5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[3x5]HH)(O[5]Ge[3x5])(H)2{1|Br<1>,2|C<4>,2|O<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.1940	0.000	1	108.1940	0.000	1	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5]CC)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,5]CC)(O[5]C[5,5])(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.6358	0.706	4	108.7793	0.178	35	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5]CC)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,5]CC)(O[5]C[5,5])(H)2{1|C<4>,1|N<3>,1|O<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.0885	0.039	4	108.7793	0.178	35	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5]CC)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,5]CC)(O[5]C[5,5])(H)2{1|Se<2>,1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.5930	0.000	1	108.7793	0.178	35	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5]CC)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,5]CC)(O[5]C[5,5])(H)2{2|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6071	0.130	26	108.7793	0.178	35	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5]CH)(O[5]B[5,5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,5]CH)(O[5]B[5,5,6])(H)2{1|B<4>,1|C<4>,1|N<4>,1|O<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7000	0.000	1	108.7000	0.000	1	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5]CH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,5]CH)(O[5]C[5,5])(H)2{1|B<4>,1|C<3>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8140	0.000	2	109.7982	6.257	11	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5]CH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,5]CH)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>,1|S<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.0370	0.000	1	109.7982	6.257	11	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5]CH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,5]CH)(O[5]C[5,5])(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9510	0.000	1	109.7982	6.257	11	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5]CH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,5]CH)(O[5]C[5,5])(H)2{2|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	110.3091	3.096	7	109.7982	6.257	11	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5]C[6]C)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,5]C[6]C)(O[5]C[5,5])(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.4915	0.083	2	108.4915	0.007	2	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5]C[6a]H)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,5]C[6a]H)(O[5]C[5,5])(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.4820	0.000	1	108.6848	0.031	11	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5]C[6a]H)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,5]C[6a]H)(O[5]C[5,5])(H)2{1|C<4>,4|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6253	0.174	6	108.6848	0.031	11	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5]C[6a]H)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,5]C[6a]H)(O[5]C[5,5])(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8035	0.015	2	108.6848	0.031	11	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5]C[6a]H)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,5]C[6a]H)(O[5]C[5,5])(H)2{2|C<4>,3|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7540	0.000	1	108.6848	0.031	11	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5]C[6a]H)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,5]C[6a]H)(O[5]C[5,5])(H)2{4|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9380	0.000	1	108.6848	0.031	11	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8080	0.049	4	108.8191	0.005	15	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8229	0.087	7	108.8191	0.005	15	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8238	0.063	4	108.8191	0.005	15	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5]HH)(O[5]C[3x5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,5]HH)(O[5]C[3x5,6])(H)2{1|C<3>,1|C<4>,1|S<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.4490	0.000	1	110.4050	1.828	2	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5]HH)(O[5]C[3x5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,5]HH)(O[5]C[3x5,6])(H)2{1|S<4>,2|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	111.3610	0.000	1	110.4050	1.828	2	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,5]HH)(O[5]C[5,5])(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.5758	0.112	5	108.6206	0.021	9	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,5]HH)(O[5]C[5,5])(H)2{1|C<6>,2|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6360	0.000	1	108.6206	0.021	9	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,5]HH)(O[5]C[5,5])(H)2{1|Se<2>,1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6900	0.215	3	108.6206	0.021	9	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5]HH)(O[5]Ge[5,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,5]HH)(O[5]Ge[5,5])(H)2{1|Pd<4>,1|O<2>,2|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.3385	0.025	2	108.3385	0.001	2	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6,6a]CC)(O[5]C[5,6,6a])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,6,6a]CC)(O[5]C[5,6,6a])(H)2{2|B<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6822	0.070	4	108.6822	0.005	4	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6]CC)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,6]CC)(O[5]C[5,6])(H)2{1|B<4>,1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.5100	1.481	4	109.2372	1.495	6	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6]CC)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,6]CC)(O[5]C[5,6])(H)2{3|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6915	0.019	2	109.2372	1.495	6	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6]CH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,6]CH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7297	0.197	4	108.7200	0.030	5	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6]CH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,6]CH)(O[5]C[5,6])(H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6810	0.000	1	108.7200	0.030	5	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6]C[6a]C)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,6]C[6a]C)(O[5]C[5,6])(H)2{1|S<4>,4|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7890	0.000	1	108.7890	0.000	1	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6,6])(H)2{2|C<4>,3|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6125	0.128	2	108.6125	0.016	2	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6])(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8044	0.088	8	108.8194	0.009	25	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6])(H)2{1|C<4>,4|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8140	0.011	2	108.8194	0.009	25	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6])(H)2{1|Ge<2>,3|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8379	0.112	10	108.8194	0.009	25	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6])(H)2{1|Ge<3>,3|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8240	0.129	4	108.8194	0.009	25	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6])(H)2{2|C<4>,3|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7470	0.000	1	108.8194	0.009	25	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6]HH)(O[5]C[4,5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,6]HH)(O[5]C[4,5,6])(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8433	0.321	3	108.8433	0.103	3	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,6]HH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.3680	0.089	2	109.1233	0.184	3	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,6]HH)(O[5]C[5,6])(H)2{2|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6340	0.000	1	109.1233	0.184	3	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6]HH)(O[5]P[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,6]HH)(O[5]P[5,6])(H)2{1|C<3>,1|N<3>,1|S<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6060	0.000	1	108.6060	0.000	1	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6a]CC)(O[5]C[5,6a])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5,6a]CC)(O[5]C[5,6a])(H)2{2|B<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9393	0.132	4	108.9393	0.017	4	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.5740	0.000	1	109.5740	0.000	1	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Ag<4>,1|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9720	0.000	1	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|B<4>,1|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8830	0.084	8	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|B<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8129	0.074	10	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.5130	0.000	1	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8003	0.095	7	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9940	0.499	5	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|C<3>,1|V<5>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9790	0.000	1	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	114.5030	0.000	1	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8711	1.960	24	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7070	0.008	2	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8430	0.000	1	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8100	0.000	1	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9595	0.218	16	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Ce<16>,1|C<5>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8992	0.063	4	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Co<4>,1|B<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8207	0.078	12	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Co<4>,1|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8710	0.073	4	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Co<5>,1|B<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9525	0.046	2	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Co<5>,1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7745	0.023	2	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Co<6>,1|B<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8460	0.020	2	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Co<6>,1|C<3>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.5790	0.000	1	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Co<6>,1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7654	0.143	13	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Co<7>,1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7925	0.015	2	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Cu<3>,1|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.4835	0.097	4	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Cu<4>,1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8160	0.000	1	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Cu<4>,1|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8053	0.061	4	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Cu<5>,1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8088	0.102	4	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Fe<4>,1|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9685	0.059	4	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Fe<5>,1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6350	0.000	1	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Fe<5>,1|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9010	0.000	1	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Fe<6>,1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7824	0.127	41	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7325	0.053	2	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9720	0.223	2	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Hf<10>,1|C<5>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8035	0.086	2	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Ir<4>,1|B<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9780	0.000	1	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Ir<5>,1|B<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8215	0.046	2	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Ir<6>,1|B<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9133	0.110	3	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Ir<6>,1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6921	0.107	8	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Ir<7>,1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9010	0.301	11	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Ir<8>,1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7770	0.000	1	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Li<4>,1|B<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8785	0.110	4	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Li<4>,1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.0050	0.000	1	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Mg<4>,1|B<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8953	0.085	4	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Mg<4>,1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7845	0.153	2	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Mg<5>,1|B<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9080	0.104	4	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Mg<6>,1|B<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8953	0.137	3	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Mg<6>,1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7373	0.099	10	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Mn<6>,1|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.4210	0.000	1	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Ni<4>,1|B<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8210	0.049	2	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Ni<4>,1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8306	0.034	7	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Ni<4>,1|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8590	0.000	1	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Ni<5>,1|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8635	0.136	2	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Ni<6>,1|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8491	0.088	9	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Ni<7>,1|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.5520	0.065	2	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|O<1>,1|S<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.4730	0.000	1	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|O<2>,2|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6260	0.302	12	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Pd<4>,1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.2632	0.364	5	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Pd<4>,1|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8067	0.081	15	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Pd<5>,1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.5165	1.746	4	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Pd<5>,1|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	107.2290	2.199	2	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Pd<7>,1|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8875	0.086	2	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Pt<4>,1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8350	0.000	1	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Re<6>,1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8230	0.135	5	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Rh<4>,1|B<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9714	0.092	5	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Rh<5>,1|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8290	0.000	1	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Rh<6>,1|B<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9187	0.124	3	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Rh<6>,1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6875	0.110	2	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Ru<10>,1|N<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8060	0.000	1	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Ru<5>,1|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9430	0.000	1	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Ru<6>,1|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7610	0.088	2	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Ru<7>,1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6790	0.028	2	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Ru<7>,1|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6680	0.086	2	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Si<4>,1|C<4>,1|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9430	0.000	1	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Sn<5>,1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.0424	0.269	5	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Ti<9>,1|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9590	0.000	1	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Zn<3>,1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6780	0.000	1	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Zn<4>,1|B<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8178	0.077	30	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Zn<4>,1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8497	0.071	10	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Zn<5>,1|C<3>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9200	0.000	1	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{2|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9595	0.070	2	108.8562	0.405	381	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(O[5]S[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CC)(O[5]S[5])(H)2{1|H<1>,2|O<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8910	0.033	2	108.8910	0.001	2	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5,5])(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.4610	0.000	1	109.4610	0.000	1	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ag<6>,1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9043	0.073	4	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Al<6>,1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.0246	0.086	5	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8061	0.174	8	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7400	0.000	1	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,1|N<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8910	0.000	1	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.2744	1.883	93	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,1|S<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.0150	0.014	2	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9840	0.099	22	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.0105	0.460	44	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9352	0.115	4	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<4>,1|N<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7260	0.000	1	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.5994	0.684	18	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<4>,1|S<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7350	0.000	1	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6035	0.209	2	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7060	0.000	1	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.6102	2.942	25	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<6>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9728	0.055	4	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Co<4>,1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8936	0.116	24	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Co<4>,1|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8765	0.095	2	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Co<5>,1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8540	0.053	3	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Co<6>,1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8503	0.192	3	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Cr<4>,1|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9075	0.093	4	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Cr<6>,1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7730	0.036	4	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Cu<4>,1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9531	0.226	15	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Cu<4>,1|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9860	0.094	6	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Cu<4>,1|N<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9320	0.000	1	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Cu<5>,1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8055	0.122	2	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Cu<5>,3|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7550	0.000	1	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Dy<11>,1|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9250	0.000	1	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Fe<4>,1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8826	0.115	7	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Fe<5>,1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.6985	1.585	11	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Fe<6>,1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8600	0.126	5	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9488	0.796	16	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|H<1>,1|S<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8890	0.000	1	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	110.3370	0.000	1	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6840	0.000	1	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ir<5>,1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9443	0.721	3	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ir<6>,1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.0945	0.229	6	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ir<6>,1|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8315	0.032	2	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ir<7>,1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8660	0.000	1	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ir<8>,1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8347	0.295	3	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ir<9>,1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9405	0.145	2	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Mg<7>,1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8630	0.251	4	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Mn<5>,1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8154	0.099	5	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Mn<6>,1|B<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9027	0.142	3	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Mo<6>,1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9560	0.000	1	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|N<2>,1|O<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.2640	0.000	1	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|N<3>,1|O<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6430	0.000	1	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ni<3>,1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	112.0425	1.315	2	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ni<4>,1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.3980	1.563	31	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ni<4>,1|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.3480	1.608	23	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ni<5>,1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9063	0.083	6	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ni<5>,1|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9640	0.030	2	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ni<6>,1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8520	0.000	1	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|O<1>,1|S<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6839	0.181	9	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|O<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6970	0.000	1	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Pd<4>,1|C<3>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7850	0.000	1	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Pd<4>,1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.0297	0.255	21	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Pd<4>,1|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8813	0.107	19	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Pd<4>,1|N<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8580	0.264	2	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Pd<5>,1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7695	0.204	2	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Pd<5>,1|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.5082	1.504	9	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Pt<4>,1|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7720	0.000	1	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Re<6>,1|B<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8543	0.074	3	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Rh<4>,1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9339	0.078	11	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Rh<4>,1|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9375	0.091	2	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Rh<6>,1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8305	0.261	2	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Rh<6>,1|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.1180	0.000	1	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Rh<7>,1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.0350	0.000	1	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ru<10>,1|N<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8620	0.000	1	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ru<5>,1|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.0220	0.000	1	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ru<6>,1|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8795	0.209	2	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Ru<9>,1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9912	0.060	6	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|S<4>,2|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9210	0.142	5	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Sn<5>,1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9720	0.000	1	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Te<5>,1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7560	0.000	1	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Zn<3>,1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8820	0.093	4	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Zn<4>,1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9065	0.074	6	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Zn<5>,1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8431	0.061	8	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Zn<6>,1|N<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9280	0.140	2	109.0798	1.421	563	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]P[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]P[5,6])(H)2{1|H<1>,2|N<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.4500	0.074	3	108.4500	0.006	3	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]P[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]P[5])(H)2{1|H<1>,1|N<3>,1|O<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6640	0.000	1	108.6640	0.000	1	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(O[5]S[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CH)(O[5]S[5])(H)2{1|C<4>,2|O<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	114.2480	0.000	1	114.2480	0.000	1	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CO)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]CO)(O[5]C[5])(H)2{1|O<1>,1|S<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.3650	0.000	1	109.3650	0.000	1	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]B[5,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]B[5,5])(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.5645	0.093	2	108.5645	0.009	2	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]B[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]B[5])(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8840	0.025	2	108.8840	0.001	2	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5,6])(H)2{1|S<4>,2|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7370	0.000	1	108.7370	0.000	1	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<2>,1|O<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.7650	1.727	2	109.0711	2.294	309	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7800	0.166	4	109.0711	2.294	309	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<3>,1|N<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.1460	0.000	1	109.0711	2.294	309	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.1594	1.344	85	109.0711	2.294	309	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<3>,1|P<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.4750	0.000	1	109.0711	2.294	309	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<3>,1|S<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9705	0.026	2	109.0711	2.294	309	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8580	0.016	2	109.0711	2.294	309	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.5996	3.062	31	109.0711	2.294	309	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9370	0.000	1	109.0711	2.294	309	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<4>,1|N<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7810	0.000	1	109.0711	2.294	309	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.2861	1.279	37	109.0711	2.294	309	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8300	0.038	4	109.0711	2.294	309	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9849	0.122	7	109.0711	2.294	309	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Cd<5>,1|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.0260	0.000	1	109.0711	2.294	309	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Co<4>,1|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9090	0.120	4	109.0711	2.294	309	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Co<5>,1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9640	0.000	1	109.0711	2.294	309	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Co<6>,1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8585	0.045	4	109.0711	2.294	309	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Cu<2>,1|O<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9758	0.144	4	109.0711	2.294	309	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Cu<4>,1|N<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8590	0.000	1	109.0711	2.294	309	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Fe<6>,1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8345	0.113	17	109.0711	2.294	309	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Fe<6>,1|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.0240	0.000	1	109.0711	2.294	309	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|H<1>,1|N<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8275	0.059	2	109.0711	2.294	309	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|H<1>,1|N<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.2589	1.774	20	109.0711	2.294	309	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	113.8010	0.000	1	109.0711	2.294	309	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7970	0.000	1	109.0711	2.294	309	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Ir<6>,1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.7930	2.984	9	109.0711	2.294	309	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Ir<8>,1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8890	0.000	1	109.0711	2.294	309	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Mn<6>,1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8910	0.000	1	109.0711	2.294	309	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Ni<6>,1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8445	0.070	4	109.0711	2.294	309	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Ni<6>,1|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9140	0.031	2	109.0711	2.294	309	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Os<9>,1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7610	0.000	1	109.0711	2.294	309	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Pd<4>,1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.0021	0.262	10	109.0711	2.294	309	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Pd<4>,1|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8969	0.102	7	109.0711	2.294	309	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Pd<4>,1|H<1>,2|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6710	0.000	1	109.0711	2.294	309	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Pd<5>,1|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.5530	0.242	2	109.0711	2.294	309	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Pd<6>,1|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6160	0.000	1	109.0711	2.294	309	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Pt<4>,1|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8676	0.115	5	109.0711	2.294	309	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Re<6>,1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9050	0.116	16	109.0711	2.294	309	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Re<6>,1|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9943	0.075	3	109.0711	2.294	309	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Ru<6>,1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7870	0.000	1	109.0711	2.294	309	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Ru<9>,1|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9770	0.000	1	109.0711	2.294	309	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Zn<4>,1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7470	0.024	2	109.0711	2.294	309	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Zn<4>,1|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.0060	0.000	1	109.0711	2.294	309	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Zn<4>,1|N<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	112.8300	2.400	2	109.0711	2.294	309	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Zn<5>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.5433	0.222	3	109.0711	2.294	309	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Zn<5>,1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9800	0.000	1	109.0711	2.294	309	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]P[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]P[5,6])(H)2{1|C<4>,2|N<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6015	0.204	8	108.5351	0.055	10	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]P[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]P[5,6])(H)2{1|H<1>,2|N<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.3850	0.000	1	108.5351	0.055	10	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]P[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]P[5,6])(H)2{2|N<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.1540	0.000	1	108.5351	0.055	10	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]P[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]P[5])(H)2{1|B<4>,1|C<4>,1|O<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8310	0.000	1	108.2966	0.132	5	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(O[5]P[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5]HH)(O[5]P[5])(H)2{1|S<1>,2|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.1630	0.240	4	108.2966	0.132	5	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5a]C[5]C)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5a]C[5]C)(O[5]C[5])(H)2{3|C<3>,3|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6020	0.000	1	108.6020	0.000	1	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5a]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5a]C[5]H)(O[5]C[5])(H)2{1|C<3>,1|N<2>,4|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.5810	0.068	3	108.6718	0.018	5	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5a]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5a]C[5]H)(O[5]C[5])(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8170	0.000	1	108.6718	0.018	5	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5a]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5a]C[5]H)(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7990	0.000	1	108.6718	0.018	5	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5a]C[5]O[5])(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[5a]C[5]O[5])(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>,1|S<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9350	0.000	1	108.9350	0.000	1	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[6a]C[5]C)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[6a]C[5]C)(O[5]C[5])(H)2{3|C<3>,3|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.4740	0.000	1	108.4740	0.000	1	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[6a]C[5]H)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]N[6a]C[5]H)(O[5]C[5])(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8005	0.053	2	108.8005	0.003	2	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]CC)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]CC)(O[5]C[5])(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.0855	0.111	2	109.0855	0.012	2	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]CH)(O[5]C[5,5])(H)2{2|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	110.9197	0.910	3	110.9197	0.828	3	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]CH)(O[5]C[5,6])(H)2{2|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	112.6260	0.000	1	109.3230	1.013	13	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]CH)(O[5]C[5,6])(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.0478	0.176	12	109.3230	1.013	13	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.1342	0.142	10	109.3402	1.198	73	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.1390	0.042	2	109.3402	1.198	73	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{1|C<4>,1|N<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9450	0.000	1	109.3402	1.198	73	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{1|O<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.4454	1.156	7	109.3402	1.198	73	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{2|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9327	0.105	3	109.3402	1.198	73	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.4071	1.250	50	109.3402	1.198	73	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]B[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]B[5,6])(H)2{1|C<3>,1|N<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8277	0.026	3	106.9930	6.578	5	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]B[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]B[5,6])(H)2{1|C<4>,1|N<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	104.2410	1.032	2	106.9930	6.578	5	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]B[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]B[5])(H)2{1|B<3>,1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.4775	0.206	2	108.8346	0.020	32	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]B[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]B[5])(H)2{1|B<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8650	0.020	2	108.8346	0.020	32	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]B[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]B[5])(H)2{1|B<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7880	0.006	2	108.8346	0.020	32	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]B[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]B[5])(H)2{1|C<3>,1|O<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.0413	0.033	3	108.8346	0.020	32	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]B[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]B[5])(H)2{1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8128	0.103	6	108.8346	0.020	32	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]B[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]B[5])(H)2{1|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8271	0.068	15	108.8346	0.020	32	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]B[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]B[5])(H)2{2|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.0200	0.038	2	108.8346	0.020	32	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[3x5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]C[3x5])(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.2325	1.140	8	109.2325	1.300	8	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[4,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]C[4,5])(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.0355	0.206	2	109.0355	0.042	2	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.4644	3.110	7	109.0335	1.661	84	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2{1|C<4>,1|N<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.1058	0.075	6	109.0335	1.661	84	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2{2|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.0021	1.761	23	109.0335	1.661	84	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9767	0.463	48	109.0335	1.661	84	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9678	0.243	41	109.0026	1.162	217	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{1|C<3>,1|N<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9720	0.000	1	109.0026	1.162	217	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{1|C<4>,1|N<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9990	0.000	1	109.0026	1.162	217	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{1|C<4>,1|O<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7823	0.136	9	109.0026	1.162	217	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8748	0.056	4	109.0026	1.162	217	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.0271	1.244	161	109.0026	1.162	217	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9250	0.630	25	109.2007	2.590	185	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9150	0.143	36	109.2007	2.590	185	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.1240	0.067	4	109.2007	2.590	185	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.4723	2.628	62	109.2007	2.590	185	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{1|Mg<6>,1|C<4>,1|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.4200	0.046	3	109.2007	2.590	185	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{1|O<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.5047	0.972	13	109.2007	2.590	185	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.1065	0.741	42	109.2007	2.590	185	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]P[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]P[5,6])(H)2{2|N<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9047	0.072	7	108.9047	0.005	7	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]P[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]P[5])(H)2{1|C<3>,1|S<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8915	0.047	2	108.6227	0.034	15	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]P[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]P[5])(H)2{1|C<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.5517	0.062	3	108.6227	0.034	15	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]P[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]P[5])(H)2{1|N<2>,1|S<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7697	0.048	3	108.6227	0.034	15	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]P[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]P[5])(H)2{1|N<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.4240	0.045	3	108.6227	0.034	15	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]P[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]P[5])(H)2{1|Rh<4>,1|N<3>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.5805	0.186	4	108.6227	0.034	15	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]Se[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]Se[5])(H)2{2|O<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7595	0.025	2	108.7595	0.001	2	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]S[5]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]S[5]HH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.4528	0.121	6	108.5426	0.153	8	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]S[5]HH)(O[5]C[5,6])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]S[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8120	0.898	2	108.5426	0.153	8	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]S[5]HH)(O[5]P[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]S[5]HH)(O[5]P[5])(H)2{1|N<2>,1|S<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	115.0130	0.000	1	115.0130	0.000	1	108.8157	1.061	6886	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[4,5]CH)(S[5]C[4,5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[4,5]CH)(S[5]C[4,5])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.7940	0.022	3	108.7940	0.000	3	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HO)(S[5]C[5,5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5,5]HO)(S[5]C[5,5])(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.6640	0.043	3	108.6797	0.002	4	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HO)(S[5]C[5,5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5,5]HO)(S[5]C[5,5])(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.7270	0.000	1	108.6797	0.002	4	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HO)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5,5]HO)(S[5]C[5])(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.5960	0.000	1	108.5960	0.000	1	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5a]HH)(S[5]C[5,5a])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5,5a]HH)(S[5]C[5,5a])(H)2{2|S<2>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	107.8020	0.000	1	107.8020	0.000	1	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(S[5]C[5,6])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5,6]HH)(S[5]C[5,6])(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.3857	0.013	3	108.3857	0.000	3	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HO)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5,6]HO)(S[5]C[5])(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.3922	0.236	4	108.3922	0.056	4	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]HH)(S[5]C[5,6a])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5,6a]HH)(S[5]C[5,6a])(H)2{1|C<3>,1|N<2>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	112.5810	6.189	2	111.2477	15.732	4	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]HH)(S[5]C[5,6a])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5,6a]HH)(S[5]C[5,6a])(H)2{2|C<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	109.9145	1.337	2	111.2477	15.732	4	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(S[5]C[4,5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]CH)(S[5]C[4,5])(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.8010	0.000	1	108.8010	0.000	1	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]CH)(S[5]C[5])(H)2{1|C<2>,1|H<1>,2|C<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.0740	0.000	1	108.4965	0.129	6	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]CH)(S[5]C[5])(H)2{1|H<1>,1|N<3>,2|F<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.3420	0.000	2	108.4965	0.129	6	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]CH)(S[5]C[5])(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	109.1280	0.000	1	108.4965	0.129	6	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]CH)(S[5]C[5])(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.4600	0.000	1	108.4965	0.129	6	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]CH)(S[5]C[5])(H)2{2|C<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.6330	0.000	1	108.4965	0.129	6	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(S[5]S[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]CH)(S[5]S[5])(H)2{2|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.4342	0.203	6	108.4342	0.041	6	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CN)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]CN)(S[5]C[5])(H)2{4|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.4870	0.000	1	108.4870	0.000	1	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CO)(S[5]S[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]CO)(S[5]S[5])(H)2{2|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.7140	0.000	1	108.7140	0.000	1	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HH)(S[5]C[5])(H)2{1|C<2>,1|N<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.2920	0.000	1	109.3161	8.232	18	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HH)(S[5]C[5])(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.7710	0.000	1	109.3161	8.232	18	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HH)(S[5]C[5])(H)2{1|C<4>,1|N<3>,2|F<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	120.7890	0.000	1	109.3161	8.232	18	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HH)(S[5]C[5])(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.4840	0.000	1	109.3161	8.232	18	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HH)(S[5]C[5])(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.2160	0.000	1	109.3161	8.232	18	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HH)(S[5]C[5])(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.7107	0.048	3	109.3161	8.232	18	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HH)(S[5]C[5])(H)2{1|H<1>,1|N<3>,1|O<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.6873	0.094	3	109.3161	8.232	18	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HH)(S[5]C[5])(H)2{4|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.7063	0.163	7	109.3161	8.232	18	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(S[5]S[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HH)(S[5]S[5])(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.5185	0.330	2	108.5185	0.109	2	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HN)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HN)(S[5]C[5])(H)2{1|C<4>,1|H<1>,2|F<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	114.2080	0.000	1	110.0095	7.841	4	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HN)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HN)(S[5]C[5])(H)2{1|N<3>,3|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.6100	0.102	3	110.0095	7.841	4	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HN)(S[5]N[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HN)(S[5]N[5])(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.8565	0.008	2	108.8565	0.000	2	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HN)(S[5]S[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HN)(S[5]S[5])(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.3460	0.000	2	108.3460	0.000	2	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HO)(S[5]C[5])(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.3550	0.000	1	109.7252	7.107	5	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HO)(S[5]C[5])(H)2{1|C<4>,1|H<1>,2|F<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	114.4900	0.000	1	109.7252	7.107	5	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HO)(S[5]C[5])(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.5750	0.000	1	109.7252	7.107	5	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HO)(S[5]C[5])(H)2{1|H<1>,1|N<3>,2|F<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.6480	0.000	1	109.7252	7.107	5	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HO)(S[5]C[5])(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.5580	0.000	1	109.7252	7.107	5	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(S[5]S[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HO)(S[5]S[5])(H)2{2|C<4>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.0380	0.000	1	108.0380	0.000	1	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]N[5]C)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]N[5]C)(S[5]C[5])(H)2{1|C<4>,1|N<2>,2|C<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.6183	0.055	3	108.6183	0.003	3	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]N[5]H)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]N[5]H)(S[5]C[5])(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.3780	0.020	2	108.5415	0.042	4	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]N[5]H)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]N[5]H)(S[5]C[5])(H)2{1|C<3>,1|H<1>,1|N<3>,1|S<2>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.7050	0.133	2	108.5415	0.042	4	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5a]C[5]H)(S[5]C[5])(H)2{1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.7830	0.146	2	108.7830	0.021	2	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5a]N[5]H)(S[5]C[5,5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5a]N[5]H)(S[5]C[5,5])(H)2{1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.8160	0.000	1	108.8160	0.000	1	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6]N[5]H)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[6]N[5]H)(S[5]C[5])(H)2{1|O<1>,2|C<4>,2|O<2>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.5490	0.000	2	108.5490	0.000	2	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[6a]C[5]H)(S[5]C[5])(H)2{4|C<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.4570	0.000	1	108.4570	0.000	1	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[6a]C[5]O)(S[5]C[5])(H)2{3|C<3>,3|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.5625	0.059	2	108.5625	0.003	2	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[6a]N[5]H)(S[5]C[5])(H)2{1|H<1>,1|N<2>,2|C<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.3750	0.000	1	108.6860	0.038	5	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[6a]N[5]H)(S[5]C[5])(H)2{1|Ni<4>,3|C<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.6975	0.021	2	108.6860	0.038	5	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[6a]N[5]H)(S[5]C[5])(H)2{1|O<1>,3|C<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.9120	0.000	1	108.6860	0.038	5	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[6a]N[5]H)(S[5]C[5])(H)2{3|C<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.7480	0.000	1	108.6860	0.038	5	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]O)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[6a]N[5]O)(S[5]C[5])(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.4540	0.000	1	108.5250	0.010	2	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]O)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[6a]N[5]O)(S[5]C[5])(H)2{1|N<2>,3|C<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.5960	0.000	1	108.5250	0.010	2	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]S[5]H)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[6a]S[5]H)(S[5]C[5])(H)2{1|S<1>,2|C<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.3050	0.000	1	108.3853	0.009	3	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]S[5]H)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[6a]S[5]H)(S[5]C[5])(H)2{3|C<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.4255	0.086	2	108.3853	0.009	3	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5,6]CH)(S[5]C[3x5,6])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5,5,6]CH)(S[5]C[3x5,6])(H)2{1|C<3>,1|C<4>,1|S<2>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.6220	0.186	3	108.6220	0.035	3	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5,6]C[6a]H)(S[5]C[3x5,6])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5,5,6]C[6a]H)(S[5]C[3x5,6])(H)2{1|C<4>,1|S<2>,3|C<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.5420	0.000	1	108.5420	0.000	1	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5,6]HH)(S[5]C[3x5,6])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5,5,6]HH)(S[5]C[3x5,6])(H)2{1|C<3>,1|C<4>,1|S<2>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.8219	0.102	8	108.8219	0.010	8	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5]CH)(S[5]C[5,5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5,5]CH)(S[5]C[5,5])(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	109.2910	0.000	1	109.2910	0.000	1	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5]HH)(S[5]C[5,5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5,5]HH)(S[5]C[5,5])(H)2{1|C<4>,1|N<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	110.2920	0.000	1	109.4423	0.544	3	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5]HH)(S[5]C[5,5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5,5]HH)(S[5]C[5,5])(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	109.0175	0.077	2	109.4423	0.544	3	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5a]HH)(S[5]C[5,5a])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5,5a]HH)(S[5]C[5,5a])(H)2{1|C<3>,1|N<2>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	106.6117	2.253	3	106.6117	5.074	3	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6]CH)(S[5]C[5,6])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5,6]CH)(S[5]C[5,6])(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.8575	0.097	4	108.7698	0.046	5	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6]CH)(S[5]C[5,6])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5,6]CH)(S[5]C[5,6])(H)2{2|C<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.4190	0.000	1	108.7698	0.046	5	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6]C[5]H)(S[5]C[5,6])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5,6]C[5]H)(S[5]C[5,6])(H)2{1|N<3>,3|C<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.5780	0.184	2	108.5780	0.034	2	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6]HH)(S[5]C[5,6])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5,6]HH)(S[5]C[5,6])(H)2{1|C<4>,1|N<2>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.7500	0.000	1	108.6899	0.172	9	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6]HH)(S[5]C[5,6])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5,6]HH)(S[5]C[5,6])(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.5620	0.157	2	108.6899	0.172	9	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6]HH)(S[5]C[5,6])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5,6]HH)(S[5]C[5,6])(H)2{1|N<2>,1|S<4>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	109.4670	0.000	1	108.6899	0.172	9	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6]HH)(S[5]C[5,6])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5,6]HH)(S[5]C[5,6])(H)2{1|S<2>,2|C<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.8435	0.271	2	108.6899	0.172	9	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6]HH)(S[5]C[5,6])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5,6]HH)(S[5]C[5,6])(H)2{2|C<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.3937	0.404	3	108.6899	0.172	9	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6a]CH)(S[5]C[5,6a])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5,6a]CH)(S[5]C[5,6a])(H)2{2|C<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	110.2606	1.998	5	110.2606	3.993	5	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6a]HH)(S[5]C[5,6a])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5,6a]HH)(S[5]C[5,6a])(H)2{1|C<3>,1|N<2>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.2740	0.097	3	108.4143	0.078	9	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6a]HH)(S[5]C[5,6a])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5,6a]HH)(S[5]C[5,6a])(H)2{2|C<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.4235	0.396	4	108.4143	0.078	9	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6a]HH)(S[5]C[5,6a])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5,6a]HH)(S[5]C[5,6a])(H)2{2|N<2>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.6065	0.029	2	108.4143	0.078	9	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]CC)(S[5]C[5])(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.5515	0.261	2	108.9355	0.519	6	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]CC)(S[5]C[5])(H)2{1|C<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.7220	0.235	3	108.9355	0.519	6	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]CC)(S[5]C[5])(H)2{1|N<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	110.3440	0.000	1	108.9355	0.519	6	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	110.6521	2.374	7	109.2354	2.186	48	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.6500	0.202	2	109.2354	2.186	48	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|C<3>,1|S<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.9144	0.247	9	109.2354	2.186	48	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.6873	0.089	3	109.2354	2.186	48	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|C<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.7580	0.000	1	109.2354	2.186	48	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|C<4>,1|N<2>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.7000	0.008	2	109.2354	2.186	48	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.7700	0.000	1	109.2354	2.186	48	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|C<4>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.7605	0.094	2	109.2354	2.186	48	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|Co<5>,1|C<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.6247	0.103	3	109.2354	2.186	48	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|H<1>,1|N<2>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.4730	0.000	1	109.2354	2.186	48	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|H<1>,1|N<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.6360	0.000	1	109.2354	2.186	48	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|H<1>,1|S<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	111.6557	3.759	3	109.2354	2.186	48	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.8309	0.117	10	109.2354	2.186	48	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.4940	0.000	1	109.2354	2.186	48	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{1|Ni<6>,1|C<3>,2|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.9730	0.000	1	109.2354	2.186	48	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]CH)(S[5]C[5])(H)2{4|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.9690	0.000	1	109.2354	2.186	48	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CO)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]CO)(S[5]C[5])(H)2{1|C<3>,1|N<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.3490	0.000	1	108.3490	0.000	1	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|B<4>,1|S<2>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.9960	0.089	2	108.8229	3.462	130	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	109.4420	0.000	1	108.8229	3.462	130	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.6660	0.485	2	108.8229	3.462	130	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.4915	0.155	2	108.8229	3.462	130	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<3>,1|N<2>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.8027	0.120	3	108.8229	3.462	130	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<3>,1|N<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.9540	0.000	1	108.8229	3.462	130	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	109.0658	0.715	12	108.8229	3.462	130	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<3>,1|P<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.1310	0.000	1	108.8229	3.462	130	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<3>,1|S<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	110.1618	4.329	13	108.8229	3.462	130	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.8110	0.000	1	108.8229	3.462	130	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.4920	0.000	1	108.8229	3.462	130	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.5930	0.000	1	108.8229	3.462	130	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<4>,1|N<2>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.4206	0.188	8	108.8229	3.462	130	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<4>,1|N<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.6310	0.000	1	108.8229	3.462	130	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.3310	0.000	1	108.8229	3.462	130	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<4>,1|S<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.6434	0.510	5	108.8229	3.462	130	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<4>,1|S<2>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.4635	0.157	4	108.8229	3.462	130	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	110.3670	0.000	1	108.8229	3.462	130	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|C<4>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.6150	0.000	1	108.8229	3.462	130	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|Fe<6>,1|C<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.6542	0.147	15	108.8229	3.462	130	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|H<1>,1|N<2>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.8160	0.000	1	108.8229	3.462	130	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|H<1>,1|N<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	109.1738	1.474	6	108.8229	3.462	130	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|H<1>,1|S<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.5470	0.000	1	108.8229	3.462	130	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|H<1>,1|S<2>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.3910	0.072	3	108.8229	3.462	130	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|Ir<6>,1|C<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.6060	0.000	1	108.8229	3.462	130	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|N<2>,1|P<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.4120	0.000	1	108.8229	3.462	130	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|N<2>,1|S<4>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.5997	0.068	3	108.8229	3.462	130	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|N<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.6390	0.175	5	108.8229	3.462	130	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|Ni<4>,1|C<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.3820	0.000	1	108.8229	3.462	130	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|P<3>,1|S<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.5150	0.000	1	108.8229	3.462	130	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|Pd<4>,1|C<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.8130	0.000	1	108.8229	3.462	130	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|Pt<6>,1|S<2>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.7220	0.168	2	108.8229	3.462	130	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|Re<6>,1|C<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.7060	0.240	8	108.8229	3.462	130	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|Ru<7>,1|S<2>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.5040	0.000	1	108.8229	3.462	130	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|S<1>,1|S<4>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.6700	0.000	1	108.8229	3.462	130	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|S<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	115.7050	0.000	1	108.8229	3.462	130	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|S<2>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.6275	0.097	8	108.8229	3.462	130	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{1|Zn<4>,1|C<4>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.4170	0.000	1	108.8229	3.462	130	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]C[5])(H)2{2|C<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	107.2562	3.823	8	108.8229	3.462	130	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]In[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]In[5])(H)2{1|Cl<1>,1|S<2>,2|C<4>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	107.7390	0.000	1	107.7390	0.000	1	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(S[5]P[5,6])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HH)(S[5]P[5,6])(H)2{1|H<1>,2|N<2>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.3421	0.414	7	108.3421	0.171	7	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HO)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]HO)(S[5]C[5])(H)2{1|C<3>,1|S<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.5460	0.000	1	108.5460	0.000	1	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[6]O[5]H)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[6]O[5]H)(S[5]C[5])(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	109.2240	1.574	25	109.2240	2.478	25	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[6a]O[5]H)(S[5]C[5])(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	109.1052	1.097	13	109.1052	1.204	13	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(S[5]C[5,6])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]O[5]HH)(S[5]C[5,6])(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.8595	0.126	6	108.9704	0.101	9	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(S[5]C[5,6])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]O[5]HH)(S[5]C[5,6])(H)2{2|C<4>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	109.1923	0.502	3	108.9704	0.101	9	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(S[5]P[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]O[5]HH)(S[5]P[5])(H)2{1|N<2>,1|S<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	107.6260	0.000	1	107.6260	0.000	1	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HO)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]O[5]HO)(S[5]C[5])(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	111.1600	0.000	1	111.1600	0.000	1	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]S[4,5]HH)(S[5]Ga[4,5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]S[4,5]HH)(S[5]Ga[4,5])(H)2{1|Ga<4>,1|C<4>,1|S<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	107.7910	0.000	1	107.7910	0.000	1	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]S[5,6]HH)(S[5]C[5,6])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]S[5,6]HH)(S[5]C[5,6])(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.2260	0.000	1	108.2260	0.000	1	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]S[5]CH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]S[5]CH)(S[5]C[5])(H)2{1|S<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.2720	0.000	1	108.2720	0.000	1	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]S[5]HH)(S[5]C[5,5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]S[5]HH)(S[5]C[5,5])(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	107.2445	0.005	4	107.2445	0.000	4	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]S[5]HH)(S[5]C[5,6])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]S[5]HH)(S[5]C[5,6])(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	109.7081	2.714	16	109.3468	5.549	23	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]S[5]HH)(S[5]C[5,6])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]S[5]HH)(S[5]C[5,6])(H)2{2|C<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.2647	0.134	3	109.3468	5.549	23	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]S[5]HH)(S[5]C[5,6])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]S[5]HH)(S[5]C[5,6])(H)2{2|C<4>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.7133	1.200	4	109.3468	5.549	23	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]S[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]S[5]HH)(S[5]C[5])(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.5740	0.117	3	108.2761	2.866	91	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]S[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]S[5]HH)(S[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	115.5750	0.000	1	108.2761	2.866	91	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]S[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]S[5]HH)(S[5]C[5])(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	103.0870	2.319	2	108.2761	2.866	91	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]S[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]S[5]HH)(S[5]C[5])(H)2{1|C<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.2759	0.424	44	108.2761	2.866	91	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]S[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]S[5]HH)(S[5]C[5])(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.0975	0.042	2	108.2761	2.866	91	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]S[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]S[5]HH)(S[5]C[5])(H)2{1|H<1>,1|N<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.2645	0.118	2	108.2761	2.866	91	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]S[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]S[5]HH)(S[5]C[5])(H)2{1|N<2>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.4041	0.066	14	108.2761	2.866	91	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]S[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]S[5]HH)(S[5]C[5])(H)2{1|N<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.1541	0.422	13	108.2761	2.866	91	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]S[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]S[5]HH)(S[5]C[5])(H)2{1|O<1>,2|C<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.4660	0.177	4	108.2761	2.866	91	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]S[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]S[5]HH)(S[5]C[5])(H)2{1|O<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	106.8175	2.715	2	108.2761	2.866	91	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]S[5]HH)(S[5]C[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]S[5]HH)(S[5]C[5])(H)2{2|C<4>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	109.4080	6.263	4	108.2761	2.866	91	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]S[5]HH)(S[5]P[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]S[5]HH)(S[5]P[5])(H)2{1|C<4>,1|S<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.1827	0.031	4	108.2033	0.021	12	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]S[5]HH)(S[5]P[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]S[5]HH)(S[5]P[5])(H)2{1|N<2>,1|S<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.1515	0.235	4	108.2033	0.021	12	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]S[5]HH)(S[5]P[5])(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]S[5]HH)(S[5]P[5])(H)2{1|N<3>,1|S<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.2757	0.093	4	108.2033	0.021	12	108.7924	2.749	519	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:Se[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(Se[5]C[5,5])(H)2	H(C[5]Se[5]C[5]H)	H(C[5]Se[5]C[5]H)	C[5](C[5]C[5,5]HH)(Se[5]C[5,5])(H)2{2|S<2>}	H(C[5]Se[5]C[5]H)	H(C[5]Se[5]C[5]H)	108.3650	0.000	1	108.3650	0.000	1	108.6035	0.023	6	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:Se[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(Se[5]C[5])(H)2	H(C[5]Se[5]C[5]H)	H(C[5]Se[5]C[5]H)	C[5](C[5]C[5]HH)(Se[5]C[5])(H)2{1|C<3>,2|H<1>}	H(C[5]Se[5]C[5]H)	H(C[5]Se[5]C[5]H)	108.6325	0.117	4	108.6325	0.014	4	108.6035	0.023	6	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	C[5]-4:Se[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(Se[5]C[5])(H)2	H(C[5]Se[5]C[5]H)	H(C[5]Se[5]C[5]H)	C[5](C[5]C[5]HO)(Se[5]C[5])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]Se[5]C[5]H)	H(C[5]Se[5]C[5]H)	108.7260	0.000	1	108.7260	0.000	1	108.6035	0.023	6	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	N[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]CuC)(O[5]C[5])(H)2	H(C[5]N[5]O[5]H)	H(C[5]N[5]O[5]H)	C[5](N[5]C[5]CuC)(O[5]C[5])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]N[5]O[5]H)	H(C[5]N[5]O[5]H)	108.7800	0.014	2	108.7800	0.000	2	108.9122	0.074	5	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	N[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]CuH)(O[5]C[5])(H)2	H(C[5]N[5]O[5]H)	H(C[5]N[5]O[5]H)	C[5](N[5]C[5]CuH)(O[5]C[5])(H)2{1|C<3>,3|H<1>}	H(C[5]N[5]O[5]H)	H(C[5]N[5]O[5]H)	108.9000	0.000	1	108.9000	0.000	1	108.9122	0.074	5	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	N[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]RuH)(O[5]C[5])(H)2	H(C[5]N[5]O[5]H)	H(C[5]N[5]O[5]H)	C[5](N[5]C[5]RuH)(O[5]C[5])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]N[5]O[5]H)	H(C[5]N[5]O[5]H)	108.7170	0.000	1	108.7170	0.000	1	108.9122	0.074	5	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	N[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]O[5]CC)(O[5]B[5])(H)2	H(C[5]N[5]O[5]H)	H(C[5]N[5]O[5]H)	C[5](N[5]O[5]CC)(O[5]B[5])(H)2{2|C<3>}	H(C[5]N[5]O[5]H)	H(C[5]N[5]O[5]H)	109.3840	0.000	1	109.3840	0.000	1	108.9122	0.074	5	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	N[5]-4:S[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]HH)(S[5]C[5])(H)2	H(C[5]N[5]S[5]H)	H(C[5]N[5]S[5]H)	C[5](N[5]C[5]HH)(S[5]C[5])(H)2{1|C<3>,3|H<1>}	H(C[5]N[5]S[5]H)	H(C[5]N[5]S[5]H)	108.6190	0.000	1	108.6190	0.000	1	108.6190	0.000	1	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	P[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]C[5,6a]CO)(O[5]C[5,6a])(H)2	H(C[5]O[5]P[5]H)	H(C[5]O[5]P[5]H)	C[5](P[5]C[5,6a]CO)(O[5]C[5,6a])(H)2{2|C<3>}	H(C[5]O[5]P[5]H)	H(C[5]O[5]P[5]H)	108.2430	0.000	1	108.2430	0.000	1	108.2405	0.016	6	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	P[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]C[5,6a]CuC)(O[5]C[5,6a])(H)2	H(C[5]O[5]P[5]H)	H(C[5]O[5]P[5]H)	C[5](P[5]C[5,6a]CuC)(O[5]C[5,6a])(H)2{2|C<3>}	H(C[5]O[5]P[5]H)	H(C[5]O[5]P[5]H)	108.1870	0.088	4	108.1870	0.008	4	108.2405	0.016	6	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	P[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]C[5]CO)(O[5]C[5])(H)2	H(C[5]O[5]P[5]H)	H(C[5]O[5]P[5]H)	C[5](P[5]C[5]CO)(O[5]C[5])(H)2{1|C<3>,1|O<2>}	H(C[5]O[5]P[5]H)	H(C[5]O[5]P[5]H)	108.4520	0.000	1	108.4520	0.000	1	108.2405	0.016	6	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:2:1:1:	4:	4:	Si[5]-4:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](Si[5]C[5,6a]CC)(O[5]C[5,6a])(H)2	H(C[5]Si[5]O[5]H)	H(C[5]Si[5]O[5]H)	C[5](Si[5]C[5,6a]CC)(O[5]C[5,6a])(H)2{2|C<3>}	H(C[5]Si[5]O[5]H)	H(C[5]Si[5]O[5]H)	108.3770	0.000	1	108.3770	0.000	1	108.3770	0.000	1	108.8352	1.246	8452	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	B[5,6,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](B[5,6,6]C[6,6]2N[5,6])(N[5]C[5,6]C)(H)2	H(C[5]B[5,6,6]N[5]H)	H(C[5]B[5,6,6]N[5]H)	C[5](B[5,6,6]C[6,6]2N[5,6])(N[5]C[5,6]C)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[5]B[5,6,6]N[5]H)	H(C[5]B[5,6,6]N[5]H)	108.5910	0.000	1	108.5910	0.000	1	108.5910	0.000	1	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	B[5]-4:S[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](B[5]C[6a]2C[5])(S[5]C[6a]C[5])(H)2	H(C[5]B[5]S[5]H)	H(C[5]B[5]S[5]H)	C[5](B[5]C[6a]2C[5])(S[5]C[6a]C[5])(H)2{1|H<1>,8|C<3>}	H(C[5]B[5]S[5]H)	H(C[5]B[5]S[5]H)	108.4830	0.000	1	108.4830	0.000	1	108.4830	0.000	1	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3,3x5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,3x5]C[3,5,5]2C[4x5,6])(N[5]C[5]C)(H)2	H(C[5]C[3,3x5]N[5]H)	H(C[5]C[3,3x5]N[5]H)	C[5](C[3,3x5]C[3,5,5]2C[4x5,6])(N[5]C[5]C)(H)2{4|C<4>,4|H<1>}	H(C[5]C[3,3x5]N[5]H)	H(C[5]C[3,3x5]N[5]H)	111.6870	0.000	1	111.6870	0.000	1	111.6870	0.000	1	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3,5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5,5]C[3,5]2N[5])(N[5]C[5]C)(H)2	H(C[5]C[3,5,5]N[5]H)	H(C[5]C[3,5,5]N[5]H)	C[5](C[3,5,5]C[3,5]2N[5])(N[5]C[5]C)(H)2{1|O<1>,1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[3,5,5]N[5]H)	H(C[5]C[3,5,5]N[5]H)	109.1860	0.000	2	109.1860	0.000	2	109.1937	0.000	3	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3,5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5,5]C[3,5]C[5,5]C[3])(N[5]N[5]C)(H)2	H(C[5]C[3,5,5]N[5]H)	H(C[5]C[3,5,5]N[5]H)	C[5](C[3,5,5]C[3,5]C[5,5]C[3])(N[5]N[5]C)(H)2{1|Si<4>,3|C<4>,3|H<1>}	H(C[5]C[3,5,5]N[5]H)	H(C[5]C[3,5,5]N[5]H)	109.2090	0.000	1	109.2090	0.000	1	109.1937	0.000	3	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3,5,6,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5,6,6]C[3,6,6]C[3,5]C[3x6])(N[5]C[5]S)(H)2	H(C[5]C[3,5,6,6]N[5]H)	H(C[5]C[3,5,6,6]N[5]H)	C[5](C[3,5,6,6]C[3,6,6]C[3,5]C[3x6])(N[5]C[5]S)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[3,5,6,6]N[5]H)	H(C[5]C[3,5,6,6]N[5]H)	109.2930	0.000	1	109.2930	0.000	1	109.2930	0.000	1	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3,5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5]C)(H)2	H(C[5]C[3,5,6]C[5]H)	H(C[5]C[3,5,6]C[5]H)	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5]C)(H)2{3|H<1>,4|C<4>}	H(C[5]C[3,5,6]C[5]H)	H(C[5]C[3,5,6]C[5]H)	108.9650	0.000	1	108.9650	0.000	1	108.9650	0.000	1	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3,5]-4:C[5,6]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3,6]H)(C[5,6]C[5,6]C[6])(H)2	H(C[5]C[3,5]C[5,6]H)	H(C[5]C[3,5]C[5,6]H)	C[5](C[3,5]C[3,5]C[3,6]H)(C[5,6]C[5,6]C[6])(H)2{3|H<1>,4|C<4>}	H(C[5]C[3,5]C[5,6]H)	H(C[5]C[3,5]C[5,6]H)	106.7870	0.000	1	106.7870	0.000	1	106.7870	0.000	1	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3,5]-4:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3,6]H)(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5]C[5,6a]C[3,5]H)	H(C[5]C[5,6a]C[3,5]H)	C[5](C[3,5]C[3,5]C[3,6]H)(C[5,6a]C[5,6a]C[6a])(H)2{2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[3,5]H)	H(C[5]C[5,6a]C[3,5]H)	109.1855	0.234	2	109.1855	0.055	2	109.0300	0.036	5	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3,5]-4:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5]C[5,6a]C[3,5]H)	H(C[5]C[5,6a]C[3,5]H)	C[5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(H)2{3|H<1>,5|C<3>}	H(C[5]C[5,6a]C[3,5]H)	H(C[5]C[5,6a]C[3,5]H)	108.8800	0.000	1	108.8800	0.000	1	109.0300	0.036	5	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3,5]-4:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]Si[3,5]N[3,5]Si)(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5]C[5,6a]C[3,5]H)	H(C[5]C[5,6a]C[3,5]H)	C[5](C[3,5]Si[3,5]N[3,5]Si)(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6a]C[3,5]H)	H(C[5]C[5,6a]C[3,5]H)	108.9495	0.067	2	108.9495	0.005	2	109.0300	0.036	5	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5,5]O)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5,5]O)(H)2{2|C<4>,3|H<1>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	108.6960	0.000	1	108.6960	0.000	1	108.9424	0.101	13	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]H)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	109.0130	0.000	1	109.0130	0.000	1	108.9424	0.101	13	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[6a]C[3])(C[5]C[5]O)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[6a]C[3])(C[5]C[5]O)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	108.6920	0.000	1	108.6920	0.000	1	108.9424	0.101	13	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]N[3]C)(C[5]O[5]O)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]N[3]C)(C[5]O[5]O)(H)2{1|C<3>,1|H<1>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	109.3080	0.000	1	109.3080	0.000	1	108.9424	0.101	13	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]C)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]C)(H)2{1|H<1>,2|C<4>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	108.0420	0.000	1	108.0420	0.000	1	108.9424	0.101	13	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3]2C[5])(C[5]C[5]O)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3]2C[5])(C[5]C[5]O)(H)2{2|Cl<1>,1|C<3>,1|H<1>,3|C<4>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	109.0440	0.000	1	109.0440	0.000	1	108.9424	0.101	13	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3]C[5]O[3])(C[5]C[5]H)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3]C[5]O[3])(C[5]C[5]H)(H)2{1|H<1>,4|C<4>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	109.1105	0.062	2	109.1105	0.004	2	108.9424	0.101	13	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3]C[5]O[3])(C[5]C[5]O)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3]C[5]O[3])(C[5]C[5]O)(H)2{4|C<4>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	109.0470	0.066	5	109.0470	0.004	5	108.9424	0.101	13	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3,5]-4:N[5,5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(N[5,5]C[5,5]C[5])(H)2	H(C[5]C[3,5]N[5,5]H)	H(C[5]C[3,5]N[5,5]H)	C[5](C[3,5]C[3,5]O[3]H)(N[5,5]C[5,5]C[5])(H)2{3|C<4>,3|H<1>}	H(C[5]C[3,5]N[5,5]H)	H(C[5]C[3,5]N[5,5]H)	107.5760	0.000	1	107.5760	0.000	1	107.5760	0.000	1	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5,5]C[3,5]H)(N[5]C[5,5]S)(H)2	H(C[5]C[3,5]N[5]H)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5,5]C[3,5]H)(N[5]C[5,5]S)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[3,5]N[5]H)	H(C[5]C[3,5]N[5]H)	110.5510	0.000	1	110.5510	0.000	1	109.0588	0.098	58	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5,6]C[3,6]C)(N[5]C[5,6]S)(H)2	H(C[5]C[3,5]N[5]H)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5,6]C[3,6]C)(N[5]C[5,6]S)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[3,5]N[5]H)	H(C[5]C[3,5]N[5]H)	107.5180	0.000	1	108.2810	1.164	2	109.0588	0.098	58	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5,6]C[3,6]C)(N[5]C[5,6]S)(H)2	H(C[5]C[3,5]N[5]H)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5,6]C[3,6]C)(N[5]C[5,6]S)(H)2{2|H<1>,3|C<3>}	H(C[5]C[3,5]N[5]H)	H(C[5]C[3,5]N[5]H)	109.0440	0.000	1	108.2810	1.164	2	109.0588	0.098	58	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]2C[3])(N[5]C[5]S)(H)2	H(C[5]C[3,5]N[5]H)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]2C[3])(N[5]C[5]S)(H)2{4|C<4>,4|H<1>}	H(C[5]C[3,5]N[5]H)	H(C[5]C[3,5]N[5]H)	108.8870	0.000	1	108.8870	0.000	1	109.0588	0.098	58	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]2)(N[5]C[5]S)(H)2	H(C[5]C[3,5]N[5]H)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]2)(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[5]C[3,5]N[5]H)	H(C[5]C[3,5]N[5]H)	109.1568	0.056	4	109.1568	0.003	4	109.0588	0.098	58	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2	H(C[5]C[3,5]N[5]H)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[3,5]N[5]H)	H(C[5]C[3,5]N[5]H)	109.0420	0.000	1	109.0875	0.006	13	109.0588	0.098	58	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2	H(C[5]C[3,5]N[5]H)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2{1|C<3>,1|O<1>,2|H<1>}	H(C[5]C[3,5]N[5]H)	H(C[5]C[3,5]N[5]H)	109.0240	0.000	1	109.0875	0.006	13	109.0588	0.098	58	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2	H(C[5]C[3,5]N[5]H)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2{1|C<3>,4|H<1>}	H(C[5]C[3,5]N[5]H)	H(C[5]C[3,5]N[5]H)	109.1415	0.047	2	109.0875	0.006	13	109.0588	0.098	58	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2	H(C[5]C[3,5]N[5]H)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2{1|C<4>,4|H<1>}	H(C[5]C[3,5]N[5]H)	H(C[5]C[3,5]N[5]H)	109.1017	0.104	6	109.0875	0.006	13	109.0588	0.098	58	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2	H(C[5]C[3,5]N[5]H)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2{2|C<4>,3|H<1>}	H(C[5]C[3,5]N[5]H)	H(C[5]C[3,5]N[5]H)	109.0260	0.000	1	109.0875	0.006	13	109.0588	0.098	58	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2	H(C[5]C[3,5]N[5]H)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2{5|H<1>}	H(C[5]C[3,5]N[5]H)	H(C[5]C[3,5]N[5]H)	109.0760	0.010	2	109.0875	0.006	13	109.0588	0.098	58	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C[5])(N[5]C[6a]C[5])(H)2	H(C[5]C[3,5]N[5]H)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]C[5])(N[5]C[6a]C[5])(H)2{1|H<1>,2|O<1>,5|C<3>}	H(C[5]C[3,5]N[5]H)	H(C[5]C[3,5]N[5]H)	108.9200	0.000	1	108.9200	0.000	1	109.0588	0.098	58	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(H)2	H(C[5]C[3,5]N[5]H)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(H)2{1|C<3>,1|N<2>,2|H<1>}	H(C[5]C[3,5]N[5]H)	H(C[5]C[3,5]N[5]H)	108.9585	0.019	2	108.9490	0.009	6	109.0588	0.098	58	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(H)2	H(C[5]C[3,5]N[5]H)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	H(C[5]C[3,5]N[5]H)	H(C[5]C[3,5]N[5]H)	108.9320	0.000	1	108.9490	0.009	6	109.0588	0.098	58	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(H)2	H(C[5]C[3,5]N[5]H)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(H)2{1|C<3>,4|H<1>}	H(C[5]C[3,5]N[5]H)	H(C[5]C[3,5]N[5]H)	108.9483	0.146	3	108.9490	0.009	6	109.0588	0.098	58	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]O)(H)2	H(C[5]C[3,5]N[5]H)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]O)(H)2{1|C<3>,1|O<1>,2|H<1>}	H(C[5]C[3,5]N[5]H)	H(C[5]C[3,5]N[5]H)	109.3120	0.000	1	109.3120	0.000	1	109.0588	0.098	58	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2	H(C[5]C[3,5]N[5]H)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2{1|C<2>,2|C<4>,2|H<1>}	H(C[5]C[3,5]N[5]H)	H(C[5]C[3,5]N[5]H)	108.8540	0.000	1	109.1233	0.018	14	109.0588	0.098	58	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2	H(C[5]C[3,5]N[5]H)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[3,5]N[5]H)	H(C[5]C[3,5]N[5]H)	109.2304	0.067	5	109.1233	0.018	14	109.0588	0.098	58	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2	H(C[5]C[3,5]N[5]H)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2{1|C<3>,1|N<2>,2|H<1>}	H(C[5]C[3,5]N[5]H)	H(C[5]C[3,5]N[5]H)	109.1110	0.000	1	109.1233	0.018	14	109.0588	0.098	58	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2	H(C[5]C[3,5]N[5]H)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2{1|C<3>,1|O<1>,2|H<1>}	H(C[5]C[3,5]N[5]H)	H(C[5]C[3,5]N[5]H)	109.1000	0.000	1	109.1233	0.018	14	109.0588	0.098	58	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2	H(C[5]C[3,5]N[5]H)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2{1|C<3>,4|H<1>}	H(C[5]C[3,5]N[5]H)	H(C[5]C[3,5]N[5]H)	109.1350	0.065	2	109.1233	0.018	14	109.0588	0.098	58	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2	H(C[5]C[3,5]N[5]H)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2{2|C<3>,3|H<1>}	H(C[5]C[3,5]N[5]H)	H(C[5]C[3,5]N[5]H)	109.0598	0.144	4	109.1233	0.018	14	109.0588	0.098	58	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5]C)(H)2	H(C[5]C[3,5]N[5]H)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5]C)(H)2{1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[3,5]N[5]H)	H(C[5]C[3,5]N[5]H)	108.8220	0.000	1	108.8220	0.000	1	109.0588	0.098	58	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5]S)(H)2	H(C[5]C[3,5]N[5]H)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5]S)(H)2{3|C<3>,4|H<1>}	H(C[5]C[3,5]N[5]H)	H(C[5]C[3,5]N[5]H)	108.8560	0.000	1	108.8560	0.000	1	109.0588	0.098	58	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[6a]O[3])(N[5]C[5]S)(H)2	H(C[5]C[3,5]N[5]H)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[6a]O[3])(N[5]C[5]S)(H)2{1|H<1>,3|C<3>}	H(C[5]C[3,5]N[5]H)	H(C[5]C[3,5]N[5]H)	108.9150	0.000	1	108.9150	0.000	1	109.0588	0.098	58	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]C)(N[5]C[5]S)(H)2	H(C[5]C[3,5]N[5]H)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]O[3]C)(N[5]C[5]S)(H)2{1|C<4>,2|H<1>}	H(C[5]C[3,5]N[5]H)	H(C[5]C[3,5]N[5]H)	108.9900	0.000	1	108.9900	0.000	1	109.0588	0.098	58	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]C)(H)2	H(C[5]C[3,5]N[5]H)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]C)(H)2{1|C<3>,2|H<1>}	H(C[5]C[3,5]N[5]H)	H(C[5]C[3,5]N[5]H)	109.0235	0.087	2	109.0235	0.008	2	109.0588	0.098	58	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]S)(H)2	H(C[5]C[3,5]N[5]H)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]S)(H)2{1|C<4>,2|H<1>}	H(C[5]C[3,5]N[5]H)	H(C[5]C[3,5]N[5]H)	108.9200	0.093	2	108.9977	0.022	3	109.0588	0.098	58	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]S)(H)2	H(C[5]C[3,5]N[5]H)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]S)(H)2{1|H<1>,2|C<4>}	H(C[5]C[3,5]N[5]H)	H(C[5]C[3,5]N[5]H)	109.1530	0.000	1	108.9977	0.022	3	109.0588	0.098	58	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3]2C[5])(N[5]C[6a]C[5])(H)2	H(C[5]C[3,5]N[5]H)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3]2C[5])(N[5]C[6a]C[5])(H)2{1|N<4>,2|C<3>,7|H<1>}	H(C[5]C[3,5]N[5]H)	H(C[5]C[3,5]N[5]H)	109.1430	0.000	1	109.1430	0.000	1	109.0588	0.098	58	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3]2N[5])(N[5]C[5]C)(H)2	H(C[5]C[3,5]N[5]H)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3]2N[5])(N[5]C[5]C)(H)2{2|Cl<1>,1|C<3>,1|O<1>,2|H<1>}	H(C[5]C[3,5]N[5]H)	H(C[5]C[3,5]N[5]H)	108.7580	0.000	1	108.7580	0.000	1	109.0588	0.098	58	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3]C[5]N[3])(N[5]C[5]C)(H)2	H(C[5]C[3,5]N[5]H)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3]C[5]N[3])(N[5]C[5]C)(H)2{1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[3,5]N[5]H)	H(C[5]C[3,5]N[5]H)	109.0720	0.000	1	109.0720	0.000	1	109.0588	0.098	58	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]N[3,5]C[3]C)(N[5]C[6a]C[5])(H)2	H(C[5]C[3,5]N[5]H)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]N[3,5]C[3]C)(N[5]C[6a]C[5])(H)2{3|C<3>,3|H<1>}	H(C[5]C[3,5]N[5]H)	H(C[5]C[3,5]N[5]H)	109.1450	0.199	2	109.1450	0.040	2	109.0588	0.098	58	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]N[3,5]C[3]H)(N[5]C[6a]C[5])(H)2	H(C[5]C[3,5]N[5]H)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]N[3,5]C[3]H)(N[5]C[6a]C[5])(H)2{2|H<1>,4|C<3>}	H(C[5]C[3,5]N[5]H)	H(C[5]C[3,5]N[5]H)	109.1100	0.000	1	109.1100	0.000	1	109.0588	0.098	58	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3x5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5,6a])(C[5]N[5,6]O)(H)2	H(C[5]C[3x5,6]C[5]H)	H(C[5]C[3x5,6]C[5]H)	C[5](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5,6a])(C[5]N[5,6]O)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,3|C<4>}	H(C[5]C[3x5,6]C[5]H)	H(C[5]C[3x5,6]C[5]H)	108.8450	0.000	1	108.8450	0.000	1	107.8470	1.992	2	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3x5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[3x5,6]C[5,5,6]C[5])(C[5]O[5]O)(H)2	H(C[5]C[3x5,6]C[5]H)	H(C[5]C[3x5,6]C[5]H)	C[5](C[3x5,6]C[3x5,6]C[5,5,6]C[5])(C[5]O[5]O)(H)2{1|C<3>,2|O<2>,4|C<4>}	H(C[5]C[3x5,6]C[5]H)	H(C[5]C[3x5,6]C[5]H)	106.8490	0.000	1	106.8490	0.000	1	107.8470	1.992	2	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3x5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[3,5,6]C[5,5,6]O[5,5])(N[5]C[5]C)(H)2	H(C[5]C[3x5,6]N[5]H)	H(C[5]C[3x5,6]N[5]H)	C[5](C[3x5,6]C[3,5,6]C[5,5,6]O[5,5])(N[5]C[5]C)(H)2{1|Cl<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[3x5,6]N[5]H)	H(C[5]C[3x5,6]N[5]H)	109.9310	0.000	1	109.9310	0.000	1	109.1462	0.040	23	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3x5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[3x5,6]C[5,6]O[5,5])(N[5]C[5,5]C[6a])(H)2	H(C[5]C[3x5,6]N[5]H)	H(C[5]C[3x5,6]N[5]H)	C[5](C[3x5,6]C[3x5,6]C[5,6]O[5,5])(N[5]C[5,5]C[6a])(H)2{3|C<3>,3|C<4>,3|H<1>}	H(C[5]C[3x5,6]N[5]H)	H(C[5]C[3x5,6]N[5]H)	109.0680	0.000	1	109.0680	0.000	1	109.1462	0.040	23	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3x5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6,6]C[5,6]O[5,5])(N[5]C[5,6]S)(H)2	H(C[5]C[3x5,6]N[5]H)	H(C[5]C[3x5,6]N[5]H)	C[5](C[3x5,6]C[5,5,6,6]C[5,6]O[5,5])(N[5]C[5,6]S)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[3x5,6]N[5]H)	H(C[5]C[3x5,6]N[5]H)	108.9760	0.000	1	108.9760	0.000	1	109.1462	0.040	23	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3x5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]C)(H)2	H(C[5]C[3x5,6]N[5]H)	H(C[5]C[3x5,6]N[5]H)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]C)(H)2{1|Br<1>,1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[3x5,6]N[5]H)	H(C[5]C[3x5,6]N[5]H)	109.1445	0.016	2	109.1837	0.004	11	109.1462	0.040	23	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3x5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]C)(H)2	H(C[5]C[3x5,6]N[5]H)	H(C[5]C[3x5,6]N[5]H)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]C)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[3x5,6]N[5]H)	H(C[5]C[3x5,6]N[5]H)	109.1953	0.076	8	109.1837	0.004	11	109.1462	0.040	23	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3x5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]C)(H)2	H(C[5]C[3x5,6]N[5]H)	H(C[5]C[3x5,6]N[5]H)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]C)(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[5]C[3x5,6]N[5]H)	H(C[5]C[3x5,6]N[5]H)	109.1700	0.000	1	109.1837	0.004	11	109.1462	0.040	23	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3x5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]S)(H)2	H(C[5]C[3x5,6]N[5]H)	H(C[5]C[3x5,6]N[5]H)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]S)(H)2{1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[3x5,6]N[5]H)	H(C[5]C[3x5,6]N[5]H)	109.0730	0.059	2	109.0408	0.009	9	109.1462	0.040	23	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3x5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]S)(H)2	H(C[5]C[3x5,6]N[5]H)	H(C[5]C[3x5,6]N[5]H)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[3x5,6]N[5]H)	H(C[5]C[3x5,6]N[5]H)	109.0410	0.035	2	109.0408	0.009	9	109.1462	0.040	23	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3x5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]S)(H)2	H(C[5]C[3x5,6]N[5]H)	H(C[5]C[3x5,6]N[5]H)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[3x5,6]N[5]H)	H(C[5]C[3x5,6]N[5]H)	108.9840	0.000	1	109.0408	0.009	9	109.1462	0.040	23	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3x5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]S)(H)2	H(C[5]C[3x5,6]N[5]H)	H(C[5]C[3x5,6]N[5]H)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]S)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[3x5,6]N[5]H)	H(C[5]C[3x5,6]N[5]H)	109.0600	0.000	1	109.0408	0.009	9	109.1462	0.040	23	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3x5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]S)(H)2	H(C[5]C[3x5,6]N[5]H)	H(C[5]C[3x5,6]N[5]H)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]S)(H)2{1|Cl<1>,1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[3x5,6]N[5]H)	H(C[5]C[3x5,6]N[5]H)	108.9615	0.177	2	109.0408	0.009	9	109.1462	0.040	23	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3x5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]S)(H)2	H(C[5]C[3x5,6]N[5]H)	H(C[5]C[3x5,6]N[5]H)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]S)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[3x5,6]N[5]H)	H(C[5]C[3x5,6]N[5]H)	109.1720	0.000	1	109.0408	0.009	9	109.1462	0.040	23	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3x5,6]-4:S[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(S[5]C[6a]O[5])(H)2	H(C[5]C[3x5,6]S[5]H)	H(C[5]C[3x5,6]S[5]H)	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(S[5]C[6a]O[5])(H)2{2|C<3>,3|H<1>,5|C<4>}	H(C[5]C[3x5,6]S[5]H)	H(C[5]C[3x5,6]S[5]H)	109.7190	0.000	1	109.7190	0.000	1	109.7190	0.000	1	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3x5]-4:C[5,6]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5]C[3x5]C[5]2)(C[5,6]C[5,6]C[6])(H)2	H(C[5]C[3x5]C[5,6]H)	H(C[5]C[3x5]C[5,6]H)	C[5](C[3x5]C[3x5]C[5]2)(C[5,6]C[5,6]C[6])(H)2{2|C<3>,2|O<2>,3|H<1>,5|C<4>}	H(C[5]C[3x5]C[5,6]H)	H(C[5]C[3x5]C[5,6]H)	108.9730	0.000	1	108.9730	0.000	1	108.9730	0.000	1	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3x5]-4:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,5,6]2C[5])(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5]C[5,6a]C[3x5]H)	H(C[5]C[5,6a]C[3x5]H)	C[5](C[3x5]C[5,5,6]2C[5])(C[5,6a]C[5,6a]C[6a])(H)2{1|O<1>,2|C<3>,3|H<1>,4|C<4>}	H(C[5]C[5,6a]C[3x5]H)	H(C[5]C[5,6a]C[3x5]H)	109.5313	0.061	3	109.5313	0.004	3	109.3640	0.055	5	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3x5]-4:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5]C[5,6a]C[3x5]H)	H(C[5]C[5,6a]C[3x5]H)	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[3x5]H)	H(C[5]C[5,6a]C[3x5]H)	109.1130	0.033	2	109.1130	0.001	2	109.3640	0.055	5	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3x5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5]C[3x5]C[5,5]C[5])(C[5]C[5]H)(H)2	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[3x5]C[5,5]C[5])(C[5]C[5]H)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	109.0850	0.116	2	109.0850	0.013	2	108.9420	0.037	18	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3x5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5]C[3x5]C[5,6]O[5])(C[5]O[5]O)(H)2	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[3x5]C[5,6]O[5])(C[5]O[5]O)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	108.8630	0.000	1	108.8630	0.000	1	108.9420	0.037	18	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3x5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[6a]C[5])(H)2	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[6a]C[5])(H)2{1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	108.9870	0.000	1	108.9870	0.000	1	108.9420	0.037	18	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3x5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5]C[3x5]C[5]2)(C[5]O[5]O)(H)2	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[3x5]C[5]2)(C[5]O[5]O)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	108.5120	0.000	1	108.7845	0.149	2	108.9420	0.037	18	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3x5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5]C[3x5]C[5]2)(C[5]O[5]O)(H)2	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[3x5]C[5]2)(C[5]O[5]O)(H)2{3|H<1>,5|C<4>}	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	109.0570	0.000	1	108.7845	0.149	2	108.9420	0.037	18	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3x5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5]C[3x5]C[5]O[5])(C[5]C[5]H)(H)2	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[3x5]C[5]O[5])(C[5]C[5]H)(H)2{1|Si<4>,1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	109.1690	0.025	2	109.1690	0.001	2	108.9420	0.037	18	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3x5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5]C[3x5]C[5]O[5])(C[5]O[5]O)(H)2	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[3x5]C[5]O[5])(C[5]O[5]O)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	108.8070	0.044	2	108.8070	0.002	2	108.9420	0.037	18	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3x5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,5,6]C[5,5]C[5])(C[5]C[5]O)(H)2	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,5,6]C[5,5]C[5])(C[5]C[5]O)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	108.9270	0.000	1	108.9270	0.000	1	108.9420	0.037	18	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3x5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,5]2C[5,6])(C[5]O[5]O)(H)2	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,5]2C[5,6])(C[5]O[5]O)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	108.9150	0.000	1	108.9150	0.000	1	108.9420	0.037	18	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3x5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,5]2O[5])(C[5]C[5]C)(H)2	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,5]2O[5])(C[5]C[5]C)(H)2{4|C<4>,4|H<1>}	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	109.2450	0.000	1	109.2450	0.000	1	108.9420	0.037	18	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3x5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,5]N[5,5]O[5])(C[5]C[5]H)(H)2	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,5]N[5,5]O[5])(C[5]C[5]H)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	108.8520	0.000	1	108.8520	0.000	1	108.9420	0.037	18	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3x5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5]N[5]O)(H)2	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|O<2>}	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	108.9870	0.000	2	108.9870	0.000	2	108.9420	0.037	18	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3x5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5]O[5]O)(H)2	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5]O[5]O)(H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	108.9000	0.000	1	108.9000	0.000	1	108.9420	0.037	18	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3x5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,6a]C[5,5]2)(C[5]O[5]O)(H)2	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,6a]C[5,5]2)(C[5]O[5]O)(H)2{1|C<4>,1|H<1>,1|N<3>,4|C<3>}	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	108.6020	0.000	1	108.6020	0.000	1	108.9420	0.037	18	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3x5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,5]N[5,5]C[5])(N[5]C[5]C)(H)2	H(C[5]C[3x5]N[5]H)	H(C[5]C[3x5]N[5]H)	C[5](C[3x5]C[5,5]N[5,5]C[5])(N[5]C[5]C)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[3x5]N[5]H)	H(C[5]C[3x5]N[5]H)	108.8800	0.000	1	108.8800	0.000	1	108.7643	0.010	3	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[3x5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,6a]C[5,5]2)(N[5]C[5]S)(H)2	H(C[5]C[3x5]N[5]H)	H(C[5]C[3x5]N[5]H)	C[5](C[3x5]C[5,6a]C[5,5]2)(N[5]C[5]S)(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[3x5]N[5]H)	H(C[5]C[3x5]N[5]H)	108.7065	0.028	2	108.7065	0.001	2	108.7643	0.010	3	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[4,5,5]-4:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5,5]C[4,5,5]2C[5,6a])(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5]C[4,5,5]C[5,6a]H)	H(C[5]C[4,5,5]C[5,6a]H)	C[5](C[4,5,5]C[4,5,5]2C[5,6a])(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,3|C<4>,5|C<3>}	H(C[5]C[4,5,5]C[5,6a]H)	H(C[5]C[4,5,5]C[5,6a]H)	108.9260	0.000	1	108.9260	0.000	1	108.9260	0.000	1	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[4,5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5,5]C[4,5]2O[5])(N[5]C[5]S)(H)2	H(C[5]C[4,5,5]N[5]H)	H(C[5]C[4,5,5]N[5]H)	C[5](C[4,5,5]C[4,5]2O[5])(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[5]C[4,5,5]N[5]H)	H(C[5]C[4,5,5]N[5]H)	109.4210	0.000	1	109.4210	0.000	1	109.4210	0.000	1	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[4,5]-4:B[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4,5]C[6a]C[4])(B[5]O[5]O)(H)2	H(C[5]C[4,5]B[5]H)	H(C[5]C[4,5]B[5]H)	C[5](C[4,5]C[4,5]C[6a]C[4])(B[5]O[5]O)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[4,5]B[5]H)	H(C[5]C[4,5]B[5]H)	109.0420	0.000	1	109.0420	0.000	1	109.0420	0.000	1	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[4,5]-4:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4,5]C[4,6]H)(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5]C[5,6a]C[4,5]H)	H(C[5]C[5,6a]C[4,5]H)	C[5](C[4,5]C[4,5]C[4,6]H)(C[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,1|F<1>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[4,5]H)	H(C[5]C[5,6a]C[4,5]H)	109.0260	0.000	1	109.0120	0.000	2	109.0120	0.000	2	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[4,5]-4:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4,5]C[4,6]H)(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5]C[5,6a]C[4,5]H)	H(C[5]C[5,6a]C[4,5]H)	C[5](C[4,5]C[4,5]C[4,6]H)(C[5,6a]C[5,6a]C[6a])(H)2{1|F<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]C[4,5]H)	H(C[5]C[5,6a]C[4,5]H)	108.9980	0.000	1	109.0120	0.000	2	109.0120	0.000	2	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[4,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4,5]C[4,6]H)(C[5]C[5]H)(H)2	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4,6]H)(C[5]C[5]H)(H)2{2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	118.1730	0.000	1	118.1730	0.000	1	109.0682	10.398	15	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[4,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4,5]C[4,6]N)(C[5]C[5]H)(H)2	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4,6]N)(C[5]C[5]H)(H)2{1|H<1>,4|C<4>}	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	109.0160	0.000	1	109.0160	0.000	1	109.0682	10.398	15	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[4,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4,5]C[4,6]O)(C[5]C[5]H)(H)2	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4,6]O)(C[5]C[5]H)(H)2{2|C<4>,4|H<1>}	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	101.1950	0.000	1	101.1950	0.000	1	109.0682	10.398	15	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[4,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]C)(C[5]C[5]H)(H)2	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4]C)(C[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	109.0350	0.000	1	109.0635	0.002	2	109.0682	10.398	15	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[4,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]C)(C[5]C[5]H)(H)2	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4]C)(C[5]C[5]H)(H)2{1|S<4>,2|C<4>,2|H<1>}	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	109.0920	0.000	1	109.0635	0.002	2	109.0682	10.398	15	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[4,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]H)(H)2	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]H)(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	109.1510	0.000	1	109.1510	0.000	1	109.0682	10.398	15	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[4,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[5]O[5]O)(H)2	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4]H)(C[5]O[5]O)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	108.7685	0.216	2	108.7685	0.047	2	109.0682	10.398	15	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[4,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]N[4,5]C[4]H)(C[5]C[5]S)(H)2	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]N[4,5]C[4]H)(C[5]C[5]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	108.9749	0.254	7	108.9749	0.064	7	109.0682	10.398	15	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[4,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4,5,5]C[4]F)(N[5]C[5]C)(H)2	H(C[5]C[4,5]N[5]H)	H(C[5]C[4,5]N[5]H)	C[5](C[4,5]C[4,5,5]C[4]F)(N[5]C[5]C)(H)2{2|C<4>,4|H<1>}	H(C[5]C[4,5]N[5]H)	H(C[5]C[4,5]N[5]H)	108.9440	0.000	1	108.9440	0.000	1	108.8081	1.618	17	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[4,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4,5,5]C[4]H)(N[5]C[5]S)(H)2	H(C[5]C[4,5]N[5]H)	H(C[5]C[4,5]N[5]H)	C[5](C[4,5]C[4,5,5]C[4]H)(N[5]C[5]S)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[4,5]N[5]H)	H(C[5]C[4,5]N[5]H)	108.9970	0.000	1	108.9970	0.000	1	108.8081	1.618	17	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[4,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4,5,6]C[4]H)(N[5]C[5,6]C)(H)2	H(C[5]C[4,5]N[5]H)	H(C[5]C[4,5]N[5]H)	C[5](C[4,5]C[4,5,6]C[4]H)(N[5]C[5,6]C)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[4,5]N[5]H)	H(C[5]C[4,5]N[5]H)	108.8510	0.000	1	108.8510	0.000	1	108.8081	1.618	17	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[4,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4,5,6]C[4]H)(N[5]C[5]C)(H)2	H(C[5]C[4,5]N[5]H)	H(C[5]C[4,5]N[5]H)	C[5](C[4,5]C[4,5,6]C[4]H)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[4,5]N[5]H)	H(C[5]C[4,5]N[5]H)	109.1370	0.000	1	109.1370	0.000	1	108.8081	1.618	17	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[4,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4,5]2H)(N[5]C[5]C)(H)2	H(C[5]C[4,5]N[5]H)	H(C[5]C[4,5]N[5]H)	C[5](C[4,5]C[4,5]2H)(N[5]C[5]C)(H)2{2|C<4>,4|H<1>}	H(C[5]C[4,5]N[5]H)	H(C[5]C[4,5]N[5]H)	107.8828	2.646	4	107.8828	7.001	4	108.8081	1.618	17	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[4,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]C)(H)2	H(C[5]C[4,5]N[5]H)	H(C[5]C[4,5]N[5]H)	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[4,5]N[5]H)	H(C[5]C[4,5]N[5]H)	109.5120	0.000	1	109.5120	0.000	1	108.8081	1.618	17	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[4,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]S)(H)2	H(C[5]C[4,5]N[5]H)	H(C[5]C[4,5]N[5]H)	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[4,5]N[5]H)	H(C[5]C[4,5]N[5]H)	109.0010	0.000	1	109.0957	0.019	8	108.8081	1.618	17	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[4,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]S)(H)2	H(C[5]C[4,5]N[5]H)	H(C[5]C[4,5]N[5]H)	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[4,5]N[5]H)	H(C[5]C[4,5]N[5]H)	109.1207	0.085	3	109.0957	0.019	8	108.8081	1.618	17	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[4,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]S)(H)2	H(C[5]C[4,5]N[5]H)	H(C[5]C[4,5]N[5]H)	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[4,5]N[5]H)	H(C[5]C[4,5]N[5]H)	109.0380	0.000	1	109.0957	0.019	8	108.8081	1.618	17	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[4,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]S)(H)2	H(C[5]C[4,5]N[5]H)	H(C[5]C[4,5]N[5]H)	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]S)(H)2{2|C<3>,4|H<1>}	H(C[5]C[4,5]N[5]H)	H(C[5]C[4,5]N[5]H)	109.1217	0.229	3	109.0957	0.019	8	108.8081	1.618	17	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[4x5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4x5,6]C[3,3x5]C[3x5,6]2)(N[5]C[5]C)(H)2	H(C[5]C[4x5,6]N[5]H)	H(C[5]C[4x5,6]N[5]H)	C[5](C[4x5,6]C[3,3x5]C[3x5,6]2)(N[5]C[5]C)(H)2{4|H<1>,6|C<4>}	H(C[5]C[4x5,6]N[5]H)	H(C[5]C[4x5,6]N[5]H)	106.6720	0.000	1	106.6720	0.000	1	106.6720	0.000	1	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,3x6]-4:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5]C[5,3x6]C[5,6a]H)	H(C[5]C[5,3x6]C[5,6a]H)	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,1|N<3>,1|O<1>,1|S<2>,3|C<3>}	H(C[5]C[5,3x6]C[5,6a]H)	H(C[5]C[5,3x6]C[5,6a]H)	108.7720	0.000	1	108.7720	0.000	1	108.7720	0.000	1	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,3x6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,3x6]C[5,3x6]C[6,6]O[6,6])(C[5]N[5,6]O)(H)2	H(C[5]C[5,3x6]C[5]H)	H(C[5]C[5,3x6]C[5]H)	C[5](C[5,3x6]C[5,3x6]C[6,6]O[6,6])(C[5]N[5,6]O)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]C[5,3x6]C[5]H)	H(C[5]C[5,3x6]C[5]H)	109.1390	0.037	6	109.1390	0.001	6	109.0271	0.153	8	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,3x6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,3x6]C[5,5,6,6]C[6,6]2)(C[5]N[5,5]O)(H)2	H(C[5]C[5,3x6]C[5]H)	H(C[5]C[5,3x6]C[5]H)	C[5](C[5,3x6]C[5,5,6,6]C[6,6]2)(C[5]N[5,5]O)(H)2{4|C<4>,5|H<1>}	H(C[5]C[5,3x6]C[5]H)	H(C[5]C[5,3x6]C[5]H)	109.3090	0.000	1	109.3090	0.000	1	109.0271	0.153	8	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,3x6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,3x6]C[5,6,6]C[4x6]C[6])(C[5]C[5]H)(H)2	H(C[5]C[5,3x6]C[5]H)	H(C[5]C[5,3x6]C[5]H)	C[5](C[5,3x6]C[5,6,6]C[4x6]C[6])(C[5]C[5]H)(H)2{1|C<3>,3|H<1>,5|C<4>}	H(C[5]C[5,3x6]C[5]H)	H(C[5]C[5,3x6]C[5]H)	108.0740	0.000	1	108.0740	0.000	1	109.0271	0.153	8	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,3x6]-4:N[5,5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(N[5,5]C[5,5]C[5])(H)2	H(C[5]C[5,3x6]N[5,5]H)	H(C[5]C[5,3x6]N[5,5]H)	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(N[5,5]C[5,5]C[5])(H)2{1|O<1>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5,3x6]N[5,5]H)	H(C[5]C[5,3x6]N[5,5]H)	109.2250	0.000	1	109.2250	0.000	1	109.2250	0.000	1	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5,6,6]-4:C[5,5a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5,5a]C[5,5a]N[5a])(H)2	H(C[5]C[5,5,6,6]C[5,5a]H)	H(C[5]C[5,5,6,6]C[5,5a]H)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5,5a]C[5,5a]N[5a])(H)2{1|C<4>,1|H<1>,1|S<4>,7|C<3>}	H(C[5]C[5,5,6,6]C[5,5a]H)	H(C[5]C[5,5,6,6]C[5,5a]H)	109.2075	0.043	2	109.2075	0.002	2	109.2075	0.002	2	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5,6,6]-4:C[5,6]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6,6]C[5,5,3x6]C[6,6]C[5])(C[5,6]C[5,3x6]C[6])(H)2	H(C[5]C[5,5,6,6]C[5,6]H)	H(C[5]C[5,5,6,6]C[5,6]H)	C[5](C[5,5,6,6]C[5,5,3x6]C[6,6]C[5])(C[5,6]C[5,3x6]C[6])(H)2{2|H<1>,2|O<1>,3|C<3>,5|C<4>}	H(C[5]C[5,5,6,6]C[5,6]H)	H(C[5]C[5,5,6,6]C[5,6]H)	109.2500	0.000	1	109.2500	0.000	1	109.2500	0.000	1	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5,6,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]C)(H)2	H(C[5]C[5,5,6,6]N[5]H)	H(C[5]C[5,5,6,6]N[5]H)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,6|C<3>}	H(C[5]C[5,5,6,6]N[5]H)	H(C[5]C[5,5,6,6]N[5]H)	109.0580	0.047	3	109.1358	0.017	5	109.1358	0.017	5	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5,6,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]C)(H)2	H(C[5]C[5,5,6,6]N[5]H)	H(C[5]C[5,5,6,6]N[5]H)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]C)(H)2{1|H<1>,7|C<3>}	H(C[5]C[5,5,6,6]N[5]H)	H(C[5]C[5,5,6,6]N[5]H)	109.1600	0.000	1	109.1358	0.017	5	109.1358	0.017	5	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5,6,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]C)(H)2	H(C[5]C[5,5,6,6]N[5]H)	H(C[5]C[5,5,6,6]N[5]H)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]C)(H)2{2|H<1>,6|C<3>}	H(C[5]C[5,5,6,6]N[5]H)	H(C[5]C[5,5,6,6]N[5]H)	109.3450	0.000	1	109.1358	0.017	5	109.1358	0.017	5	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5]C[5,5,6]C[5,6a]H)	H(C[5]C[5,5,6]C[5,6a]H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(H)2{2|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[5]C[5,5,6]C[5,6a]H)	H(C[5]C[5,5,6]C[5,6a]H)	109.0150	0.000	1	109.0150	0.000	1	109.0373	0.028	6	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]O[6])(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5]C[5,5,6]C[5,6a]H)	H(C[5]C[5,5,6]C[5,6a]H)	C[5](C[5,5,6]C[5,5,6]C[5]O[6])(C[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[5]C[5,5,6]C[5,6a]H)	H(C[5]C[5,5,6]C[5,6a]H)	109.0275	0.212	4	109.0418	0.035	5	109.0373	0.028	6	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]O[6])(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5]C[5,5,6]C[5,6a]H)	H(C[5]C[5,5,6]C[5,6a]H)	C[5](C[5,5,6]C[5,5,6]C[5]O[6])(C[5,6a]C[5,6a]C[6a])(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5,6]C[5,6a]H)	H(C[5]C[5,5,6]C[5,6a]H)	109.0990	0.000	1	109.0418	0.035	5	109.0373	0.028	6	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6,6]C[6,6a]C[5])(C[5]N[5]O)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6,6]C[6,6a]C[5])(C[5]N[5]O)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.7965	0.130	4	108.7965	0.017	4	108.4042	6.077	65	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2C)(C[5]O[5]O)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]2C)(C[5]O[5]O)(H)2{1|H<1>,4|C<4>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	105.1450	0.000	1	105.1450	0.000	1	108.4042	6.077	65	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	106.8800	0.000	1	107.7880	1.649	2	108.4042	6.077	65	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(H)2{1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.6960	0.000	1	107.7880	1.649	2	108.4042	6.077	65	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.5550	0.000	1	102.5753	115.243	3	108.4042	6.077	65	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)(H)2{2|H<1>,3|C<4>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	90.1820	0.000	1	102.5753	115.243	3	108.4042	6.077	65	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)(H)2{3|C<4>,3|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.9890	0.000	1	102.5753	115.243	3	108.4042	6.077	65	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]O)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]O)(H)2{1|H<1>,4|C<4>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.6070	0.000	1	108.6070	0.000	1	108.4042	6.077	65	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5,6]O)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5,6]O)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	107.9390	0.000	1	107.9390	0.000	1	108.4042	6.077	65	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5]N[5,5]O)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5]N[5,5]O)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.7160	0.062	2	108.7160	0.004	2	108.4042	6.077	65	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]O)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]O)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	109.1010	0.000	1	108.6574	0.075	14	108.4042	6.077	65	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]O)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]O)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.5854	0.038	5	108.6574	0.075	14	108.4042	6.077	65	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]O)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]O)(H)2{1|C<4>,1|H<1>,2|C<3>,3|O<2>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.8490	0.000	2	108.6574	0.075	14	108.4042	6.077	65	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]O)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]O)(H)2{1|H<1>,1|N<3>,2|C<4>,3|O<2>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.6280	0.000	2	108.6574	0.075	14	108.4042	6.077	65	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]O)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]O)(H)2{3|H<1>,5|C<4>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.5555	0.460	4	108.6574	0.075	14	108.4042	6.077	65	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5,6])(C[5]N[5,6]O)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5,6])(C[5]N[5,6]O)(H)2{1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.6460	0.085	2	108.6460	0.007	2	108.4042	6.077	65	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]N[5]O)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]N[5]O)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.5800	0.000	1	108.6203	0.001	3	108.4042	6.077	65	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]N[5]O)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]N[5]O)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.6560	0.000	1	108.6203	0.001	3	108.4042	6.077	65	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]N[5]O)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]N[5]O)(H)2{2|H<1>,3|C<3>,3|C<4>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.6250	0.000	1	108.6203	0.001	3	108.4042	6.077	65	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]O[5]O)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]O[5]O)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.7240	0.000	1	108.7240	0.000	1	108.4042	6.077	65	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6,6])(C[5]C[5]C)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6,6])(C[5]C[5]C)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	109.0080	0.000	1	109.0080	0.000	1	108.4042	6.077	65	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]C)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]C)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.8070	0.000	1	108.8070	0.000	1	108.4042	6.077	65	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]H)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]H)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	109.1250	0.023	2	109.1250	0.001	2	108.4042	6.077	65	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]O)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]O)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.9980	0.000	1	108.9980	0.000	1	108.4042	6.077	65	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]O[5]O)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]O[5]O)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.9090	0.000	1	108.9270	0.001	2	108.4042	6.077	65	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]O[5]O)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]O[5]O)(H)2{3|C<4>,3|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.9450	0.000	1	108.9270	0.001	2	108.4042	6.077	65	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]C)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]C)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	107.4360	0.000	1	108.8129	0.345	8	108.4042	6.077	65	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]C)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]C)(H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	109.3020	0.000	1	108.8129	0.345	8	108.4042	6.077	65	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]C)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]C)(H)2{1|C<3>,4|C<4>,5|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	109.0910	0.206	2	108.8129	0.345	8	108.4042	6.077	65	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]C)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]C)(H)2{1|O<1>,3|H<1>,5|C<4>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.8300	0.022	3	108.8129	0.345	8	108.4042	6.077	65	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]C)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]C)(H)2{1|O<2>,1|S<4>,4|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	109.0930	0.000	1	108.8129	0.345	8	108.4042	6.077	65	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]O)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]O)(H)2{1|C<3>,4|H<1>,5|C<4>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.9230	0.000	1	109.0405	0.028	2	108.4042	6.077	65	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]O)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]O)(H)2{3|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	109.1580	0.000	1	109.0405	0.028	2	108.4042	6.077	65	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]2C[5])(C[5]O[5]O)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]O[5]O)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	109.0240	0.000	1	107.9895	2.140	2	108.4042	6.077	65	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]2C[5])(C[5]O[5]O)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]O[5]O)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	106.9550	0.000	1	107.9895	2.140	2	108.4042	6.077	65	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]2O[5])(C[5]C[5]C)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]2O[5])(C[5]C[5]C)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	109.1550	0.021	2	109.0102	0.028	4	108.4042	6.077	65	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]2O[5])(C[5]C[5]C)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]2O[5])(C[5]C[5]C)(H)2{4|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.8655	0.009	2	109.0102	0.028	4	108.4042	6.077	65	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5,6]C)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5,6]C)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	110.5455	3.919	2	109.7645	5.934	4	108.4042	6.077	65	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5,6]C)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5,6]C)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.9835	0.026	2	109.7645	5.934	4	108.4042	6.077	65	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]N[5]O)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]N[5]O)(H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.6340	0.000	1	108.6340	0.000	1	108.4042	6.077	65	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]O[5]O)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]O[5]O)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	109.0070	0.000	1	109.0070	0.000	1	108.4042	6.077	65	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6a]C[5,6]N[5,6])(C[5]N[5]O)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6a]C[5,6]N[5,6])(C[5]N[5]O)(H)2{1|H<1>,2|C<4>,4|C<3>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	106.5930	0.000	1	106.5930	0.000	1	108.4042	6.077	65	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[6,6a]C[5,5]C[5,6])(C[5]C[5]C)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[6,6a]C[5,5]C[5,6])(C[5]C[5]C)(H)2{1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.7670	0.000	1	108.7670	0.000	1	108.4042	6.077	65	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]C)(N[5,6]C[5,6]C[6])(H)2	H(C[5]C[5,5,6]N[5,6]H)	H(C[5]C[5,5,6]N[5,6]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]C)(N[5,6]C[5,6]C[6])(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5,6]N[5,6]H)	H(C[5]C[5,5,6]N[5,6]H)	109.0880	0.000	1	109.0880	0.000	1	109.4257	0.696	4	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5,6]C[5,6]C[6])(H)2	H(C[5]C[5,5,6]N[5,6]H)	H(C[5]C[5,5,6]N[5,6]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5,6]C[5,6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<3>,3|C<3>}	H(C[5]C[5,5,6]N[5,6]H)	H(C[5]C[5,5,6]N[5,6]H)	110.6570	0.000	1	109.9045	1.133	2	109.4257	0.696	4	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5,6]C[5,6]C[6])(H)2	H(C[5]C[5,5,6]N[5,6]H)	H(C[5]C[5,5,6]N[5,6]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5,6]C[5,6]C[6])(H)2{1|C<4>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	H(C[5]C[5,5,6]N[5,6]H)	H(C[5]C[5,5,6]N[5,6]H)	109.1520	0.000	1	109.9045	1.133	2	109.4257	0.696	4	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(N[5,6]C[5,6]C[6])(H)2	H(C[5]C[5,5,6]N[5,6]H)	H(C[5]C[5,5,6]N[5,6]H)	C[5](C[5,5,6]C[5,5,6]2H)(N[5,6]C[5,6]C[6])(H)2{1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5,6]N[5,6]H)	H(C[5]C[5,5,6]N[5,6]H)	108.8060	0.000	1	108.8060	0.000	1	109.4257	0.696	4	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]Br)(N[5]C[5]S)(H)2	H(C[5]C[5,5,6]N[5]H)	H(C[5]C[5,5,6]N[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]Br)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,5,6]N[5]H)	H(C[5]C[5,5,6]N[5]H)	109.0525	0.129	2	109.0525	0.017	2	108.8908	0.113	20	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]C)(N[5]C[5]S)(H)2	H(C[5]C[5,5,6]N[5]H)	H(C[5]C[5,5,6]N[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]C)(N[5]C[5]S)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[5,5,6]N[5]H)	H(C[5]C[5,5,6]N[5]H)	109.1000	0.000	1	109.1000	0.000	1	108.8908	0.113	20	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]C[6a])(N[5]C[5]S)(H)2	H(C[5]C[5,5,6]N[5]H)	H(C[5]C[5,5,6]N[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]C[6a])(N[5]C[5]S)(H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[5,5,6]N[5]H)	H(C[5]C[5,5,6]N[5]H)	108.8960	0.083	2	108.8960	0.007	2	108.8908	0.113	20	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]Cl)(N[5]C[5]C)(H)2	H(C[5]C[5,5,6]N[5]H)	H(C[5]C[5,5,6]N[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]Cl)(N[5]C[5]C)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,5,6]N[5]H)	H(C[5]C[5,5,6]N[5]H)	108.2400	0.000	1	108.2400	0.000	1	108.8908	0.113	20	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]Cl)(N[5]C[5]S)(H)2	H(C[5]C[5,5,6]N[5]H)	H(C[5]C[5,5,6]N[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]Cl)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,5,6]N[5]H)	H(C[5]C[5,5,6]N[5]H)	108.8533	0.094	3	108.8533	0.009	3	108.8908	0.113	20	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[5]C)(H)2	H(C[5]C[5,5,6]N[5]H)	H(C[5]C[5,5,6]N[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|O<2>,1|P<4>,3|H<1>}	H(C[5]C[5,5,6]N[5]H)	H(C[5]C[5,5,6]N[5]H)	109.5055	0.028	2	109.5055	0.001	2	108.8908	0.113	20	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[5]S)(H)2	H(C[5]C[5,5,6]N[5]H)	H(C[5]C[5,5,6]N[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[5]S)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,5,6]N[5]H)	H(C[5]C[5,5,6]N[5]H)	109.1550	0.000	1	109.1550	0.000	1	108.8908	0.113	20	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(H)2	H(C[5]C[5,5,6]N[5]H)	H(C[5]C[5,5,6]N[5]H)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,5,6]N[5]H)	H(C[5]C[5,5,6]N[5]H)	108.8290	0.000	1	108.8290	0.000	1	108.8908	0.113	20	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]H)(H)2	H(C[5]C[5,5,6]N[5]H)	H(C[5]C[5,5,6]N[5]H)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]H)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5,5,6]N[5]H)	H(C[5]C[5,5,6]N[5]H)	109.0530	0.000	1	109.0530	0.000	1	108.8908	0.113	20	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(H)2	H(C[5]C[5,5,6]N[5]H)	H(C[5]C[5,5,6]N[5]H)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(H)2{2|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,5,6]N[5]H)	H(C[5]C[5,5,6]N[5]H)	108.6580	0.000	1	108.6580	0.000	1	108.8908	0.113	20	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2O)(N[5]Se[5]C)(H)2	H(C[5]C[5,5,6]N[5]H)	H(C[5]C[5,5,6]N[5]H)	C[5](C[5,5,6]C[5,5,6]2O)(N[5]Se[5]C)(H)2{1|H<1>,4|C<4>}	H(C[5]C[5,5,6]N[5]H)	H(C[5]C[5,5,6]N[5]H)	108.1430	0.000	1	108.1430	0.000	1	108.8908	0.113	20	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(N[5]C[5]C)(H)2	H(C[5]C[5,5,6]N[5]H)	H(C[5]C[5,5,6]N[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(N[5]C[5]C)(H)2{2|C<3>,2|C<4>,2|H<1>,2|O<1>}	H(C[5]C[5,5,6]N[5]H)	H(C[5]C[5,5,6]N[5]H)	108.6820	0.000	1	108.6820	0.000	1	108.8908	0.113	20	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(N[5]C[5]C)(H)2	H(C[5]C[5,5,6]N[5]H)	H(C[5]C[5,5,6]N[5]H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(N[5]C[5]C)(H)2{5|C<4>,5|H<1>}	H(C[5]C[5,5,6]N[5]H)	H(C[5]C[5,5,6]N[5]H)	108.6470	0.000	1	108.6470	0.000	1	108.8908	0.113	20	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(N[5]C[5]S)(H)2	H(C[5]C[5,5,6]N[5]H)	H(C[5]C[5,5,6]N[5]H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(N[5]C[5]S)(H)2{2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,5,6]N[5]H)	H(C[5]C[5,5,6]N[5]H)	108.9760	0.000	1	108.9760	0.000	1	108.8908	0.113	20	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]N[5,6]C[6])(N[5]C[5]C)(H)2	H(C[5]C[5,5,6]N[5]H)	H(C[5]C[5,5,6]N[5]H)	C[5](C[5,5,6]C[5,5]N[5,6]C[6])(N[5]C[5]C)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5,5,6]N[5]H)	H(C[5]C[5,5,6]N[5]H)	108.8650	0.000	1	108.8650	0.000	1	108.8908	0.113	20	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:B[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(B[5]B[5]C[5])(H)2	H(C[5]C[5,5]B[5]H)	H(C[5]C[5,5]B[5]H)	C[5](C[5,5]C[5,5]C[5]C)(B[5]B[5]C[5])(H)2{1|C<3>,2|C<4>,2|N<3>,3|H<1>}	H(C[5]C[5,5]B[5]H)	H(C[5]C[5,5]B[5]H)	108.8100	0.000	1	108.8100	0.000	1	108.8100	0.000	1	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5,6]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]N[6])(H)2	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]N[6])(H)2{1|C<4>,1|N<4>,2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	109.0220	0.000	1	109.0220	0.000	1	109.0220	0.000	1	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3,5]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,5]C[3,5]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(H)2{2|C<3>,3|H<1>,4|C<4>}	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	109.0760	0.000	1	109.0760	0.000	1	109.1065	0.047	11	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5,6a]C[5,6a]C[6a])(H)2{1|N<3>,2|H<1>,5|C<3>}	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	108.8110	0.000	1	108.8110	0.000	1	109.1065	0.047	11	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,5|C<3>}	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	109.1730	0.000	1	109.1730	0.000	1	109.1065	0.047	11	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,2|C<3>,2|H<1>,2|N<2>}	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	109.6370	0.000	1	109.2735	0.264	2	109.1065	0.047	11	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(H)2{2|H<1>,5|C<3>}	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	108.9100	0.000	1	109.2735	0.264	2	109.1065	0.047	11	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(H)2{1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	109.1080	0.000	1	109.1080	0.000	1	109.1065	0.047	11	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,1|S<4>,4|C<3>}	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	109.1680	0.000	1	109.1547	0.015	3	109.1065	0.047	11	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,5|C<3>}	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	109.1480	0.170	2	109.1547	0.015	3	109.1065	0.047	11	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[6a]N[5])(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,5]N[5,5]C[6a]N[5])(C[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,1|H<1>,5|C<3>}	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	108.9770	0.000	1	108.9770	0.000	1	109.1065	0.047	11	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,5]N[5,5a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(H)2{2|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5,6a]C[5,5]H)	H(C[5]C[5,6a]C[5,5]H)	109.0150	0.000	1	109.0150	0.000	1	109.1065	0.047	11	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]O)(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	107.5160	0.023	2	107.5160	0.001	2	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3,5]C[5,5]H)(C[5]O[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3,5]C[5,5]H)(C[5]O[5]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7180	0.167	2	108.7180	0.028	2	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3,5]C[5,6]O[5])(C[5]C[5]C)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3,5]C[5,6]O[5])(C[5]C[5]C)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9267	0.157	4	108.9267	0.025	4	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,6]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,6]O)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.4030	0.004	2	109.1817	0.147	3	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,6]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,6]O)(H)2{3|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7390	0.000	1	109.1817	0.147	3	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]C)(C[5]C[5,5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]C[5]C)(C[5]C[5,5]O)(H)2{2|H<1>,5|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	122.6810	0.000	1	122.6810	0.000	1	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]H)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]H)(H)2{1|C<3>,1|N<3>,1|O<2>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	107.5040	0.000	1	107.5040	0.000	1	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(C[5]N[5,5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]N[5,5]O)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	111.4710	0.000	1	110.2655	2.906	2	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(C[5]N[5,5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]N[5,5]O)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0600	0.000	1	110.2655	2.906	2	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3x5]O[5]C)(C[5]O[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]O[5]C)(C[5]O[5]O)(H)2{3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.5990	0.000	1	108.5990	0.000	1	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[4,3x5]C[5]C)(C[5]C[4,5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[4,3x5]C[5]C)(C[5]C[4,5]O)(H)2{3|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1300	0.000	1	109.1300	0.000	1	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[4,3x5]C[5]H)(C[5]C[4,5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[4,3x5]C[5]H)(C[5]C[4,5]O)(H)2{3|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	110.1310	0.000	1	110.1310	0.000	1	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6,6]C[5,6a]H)(C[5]N[5,6]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6,6]C[5,6a]H)(C[5]N[5,6]O)(H)2{1|N<3>,2|C<3>,2|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0057	0.003	3	109.0057	0.000	3	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6,6]C[5,6a]O)(C[5]N[5,6]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6,6]C[5,6a]O)(C[5]N[5,6]O)(H)2{1|N<3>,2|C<3>,2|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0735	0.107	4	109.0735	0.012	4	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5,6a]H)(C[5]N[5,6]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5,6a]H)(C[5]N[5,6]O)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.6360	0.000	1	108.6360	0.000	1	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5,6a]O)(C[5]N[5,6]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5,6a]O)(C[5]N[5,6]O)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.4950	0.000	1	108.4950	0.000	1	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]O)(H)2{2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	113.4570	0.000	1	113.4570	0.000	1	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]C)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]C)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7160	0.000	1	108.7163	0.037	4	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]C)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]C)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9780	0.000	1	108.7163	0.037	4	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]C)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]C)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.6450	0.000	1	108.7163	0.037	4	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]C)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]C)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.5260	0.000	1	108.7163	0.037	4	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]H)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]H)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	114.2510	0.000	1	111.5590	14.494	2	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]H)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]H)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8670	0.000	1	111.5590	14.494	2	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]O)(H)2{1|H<1>,6|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0500	0.000	1	109.0500	0.000	1	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5,6]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5,6]O)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.7525	0.504	2	109.4027	0.494	3	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5,6]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5,6]O)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7030	0.000	1	109.4027	0.494	3	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]N[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]N[5]O)(H)2{4|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.4560	0.000	1	109.4560	0.000	1	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]O[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]O[5]O)(H)2{3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9080	0.092	6	108.9080	0.008	6	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]O[5]O)(C[5]O[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]O[5]O)(C[5]O[5]O)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	107.3840	0.000	1	108.4970	0.935	3	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]O[5]O)(C[5]O[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]O[5]O)(C[5]O[5]O)(H)2{3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0535	0.110	2	108.4970	0.935	3	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]2C)(C[5]C[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]2C)(C[5]C[5]O)(H)2{3|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.2470	0.973	2	108.2470	0.947	2	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]2C)(C[5]O[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]2C)(C[5]O[5]O)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7157	0.038	6	108.7157	0.001	6	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]2C[5])(C[5]N[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]2C[5])(C[5]N[5]O)(H)2{1|H<1>,1|O<1>,3|C<3>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7220	0.000	1	108.7220	0.000	1	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]2H)(C[5]O[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]2H)(C[5]O[5]O)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9380	0.000	1	108.3438	0.793	5	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]2H)(C[5]O[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]2H)(C[5]O[5]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8105	0.057	2	108.3438	0.793	5	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]2H)(C[5]O[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]2H)(C[5]O[5]O)(H)2{2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	107.5800	1.102	2	108.3438	0.793	5	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]N[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]N[5]O)(H)2{1|C<4>,1|O<2>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	107.7800	0.840	2	108.4410	0.969	4	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]N[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]N[5]O)(H)2{1|O<2>,2|C<3>,2|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1020	0.673	2	108.4410	0.969	4	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]O)(H)2{1|C<4>,1|O<2>,2|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8350	0.000	1	108.7400	0.018	2	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.6450	0.000	1	108.7400	0.018	2	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[5]N[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]2)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.6927	0.156	3	108.7412	0.020	5	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[5]N[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]2)(C[5]N[5]O)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8900	0.000	1	108.7412	0.020	5	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[5]N[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]2)(C[5]N[5]O)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7380	0.000	1	108.7412	0.020	5	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]C)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]C)(H)2{1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.2660	0.000	1	108.2660	0.000	1	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]H)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]H)(H)2{1|N<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9190	0.000	1	108.9190	0.000	1	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(H)2{1|O<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9150	0.079	2	108.9597	0.009	3	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(H)2{1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0490	0.000	1	108.9597	0.009	3	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]O)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9080	0.000	1	108.6617	0.031	6	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]O)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.6870	0.000	1	108.6617	0.031	6	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]O)(H)2{1|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7215	0.091	2	108.6617	0.031	6	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]O)(H)2{2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.4660	0.000	2	108.6617	0.031	6	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5]H)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5]H)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9220	0.000	1	108.9220	0.000	1	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6]O)(H)2{2|H<1>,5|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.6140	0.027	2	108.6140	0.001	2	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(H)2{1|B<4>,2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.2955	0.120	2	108.9796	0.105	5	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9870	0.000	1	108.9796	0.105	5	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(H)2{1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.6650	0.000	1	108.9796	0.105	5	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(H)2{1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.6550	0.000	1	108.9796	0.105	5	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)2{1|C<2>,1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9380	0.000	1	107.5578	18.217	9	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)2{1|C<3>,1|N<3>,1|O<2>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0145	0.047	2	107.5578	18.217	9	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0680	0.000	1	107.5578	18.217	9	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)2{1|C<3>,2|O<2>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9210	0.000	1	107.5578	18.217	9	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9260	0.000	1	107.5578	18.217	9	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	102.5526	9.016	2	107.5578	18.217	9	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0330	0.000	1	107.5578	18.217	9	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]N)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]N)(H)2{1|N<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8990	0.000	1	108.8990	0.000	1	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9490	0.000	1	108.1989	4.572	10	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0660	0.000	1	108.1989	4.572	10	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9580	0.000	1	108.1989	4.572	10	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8100	0.045	5	108.1989	4.572	10	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8470	0.000	1	108.1989	4.572	10	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(H)2{3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	102.1190	0.000	1	108.1989	4.572	10	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.6470	0.000	1	108.6863	0.061	4	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0420	0.000	1	108.6863	0.061	4	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(H)2{4|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.5280	0.058	2	108.6863	0.061	4	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5])(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5])(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	107.1720	0.866	3	107.1720	0.750	3	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0200	0.000	1	108.5587	0.372	3	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H)2{1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	107.8670	0.000	1	108.5587	0.372	3	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H)2{2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7890	0.000	1	108.5587	0.372	3	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7787	0.142	3	108.8312	0.119	13	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9100	0.000	1	108.8312	0.119	13	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1170	0.000	1	108.8312	0.119	13	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0410	0.000	1	108.8312	0.119	13	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7717	0.451	7	108.8312	0.119	13	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]N)(C[5]C[5]H)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]N)(C[5]C[5]H)(H)2{2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9530	0.000	1	108.9530	0.000	1	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]H)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]H)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0520	0.000	1	109.0415	0.000	2	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]H)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]H)(H)2{1|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0310	0.000	1	109.0415	0.000	2	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[5]O)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8700	0.000	1	108.8700	0.000	1	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]S)(C[5]C[5]H)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]S)(C[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	106.7830	0.000	1	106.7830	0.000	1	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]C[5]H)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]C[5]H)(H)2{1|H<1>,1|N<3>,2|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1450	0.000	1	109.1450	0.000	1	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[5]H)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[5]H)(H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1740	0.000	1	109.1740	0.000	1	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]C)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.5750	0.000	1	108.5750	0.000	1	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]N[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]N[5]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1695	0.032	2	109.1695	0.001	2	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[6a]N[5])(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[6a]N[5])(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7450	0.000	1	108.7450	0.000	1	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]H)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|S<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	107.8520	0.000	1	108.7600	0.368	4	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]H)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]H)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0450	0.047	2	108.7600	0.368	4	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]H)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]H)(H)2{1|S<4>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0980	0.000	1	108.7600	0.368	4	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]O)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.6790	0.000	1	108.7935	0.026	2	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]O)(H)2{1|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9080	0.000	1	108.7935	0.026	2	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]C)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]C)(H)2{1|C<3>,1|O<1>,2|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.3090	0.000	1	109.3090	0.000	1	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5]O[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]O[5]O)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7120	0.000	1	108.7120	0.000	1	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]N[5a]C[5])(C[5]C[6a]N[5])(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5a]C[5])(C[5]C[6a]N[5])(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|N<2>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.2670	0.000	1	109.2160	1.801	2	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]N[5a]C[5])(C[5]C[6a]N[5])(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5a]C[5])(C[5]C[6a]N[5])(H)2{1|C<4>,1|O<1>,2|C<3>,2|N<2>,2|O<2>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	110.1650	0.000	1	109.2160	1.801	2	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]C)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]C)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9980	0.033	2	108.9980	0.001	2	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]O)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8390	0.000	1	108.9720	0.035	2	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]O)(H)2{3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1050	0.000	1	108.9720	0.035	2	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]C)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	107.7935	2.027	4	107.7935	4.107	4	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(H)2{1|C<2>,1|O<2>,2|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.2750	0.000	1	109.3035	0.189	4	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.3130	0.533	3	109.3035	0.189	4	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.0160	0.938	2	108.0160	0.879	2	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]N[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]N[5]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.5680	0.000	1	108.5680	0.000	1	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9888	0.095	11	108.9860	0.016	19	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(H)2{3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9821	0.168	8	108.9860	0.016	19	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]O)(C[5]O[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]O)(C[5]O[5]O)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8660	0.000	1	108.9454	0.041	5	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]O)(C[5]O[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]O)(C[5]O[5]O)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1610	0.051	2	108.9454	0.041	5	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]O)(C[5]O[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]O)(C[5]O[5]O)(H)2{3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7695	0.006	2	108.9454	0.041	5	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]P[5]H)(C[5]C[5]H)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]P[5]H)(C[5]C[5]H)(H)2{1|C<3>,1|P<3>,1|S<1>,1|S<2>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.2150	0.000	1	109.2150	0.000	1	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]C)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]C)(H)2{1|N<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1530	0.000	1	109.1530	0.000	1	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]H)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]H)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9350	0.000	1	108.9350	0.000	1	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6]C[5]2)(C[5]N[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6]C[5]2)(C[5]N[5]O)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.6320	0.000	1	108.6320	0.000	1	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]O)(H)2{1|N<3>,1|O<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7210	0.000	1	108.7210	0.000	1	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]S)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]S)(H)2{1|O<1>,1|O<2>,4|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.4260	0.000	1	109.4260	0.000	1	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[3x5]H)(C[5]C[5,5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[3x5]H)(C[5]C[5,5]O)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.5030	0.000	1	108.5030	0.000	1	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[5]C)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[5]C)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	106.4200	3.506	2	106.4200	12.291	2	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]O)(H)2{1|N<3>,1|O<1>,5|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0290	0.000	1	109.0290	0.000	1	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]O[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]O[5]O)(H)2{1|N<3>,1|O<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	107.6260	0.000	1	107.6260	0.000	1	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]C)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]C)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0050	0.000	1	109.0050	0.000	1	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]H)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]H)(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9050	0.000	1	108.9050	0.000	1	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]O)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1070	0.170	2	108.9873	0.033	4	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]O)(H)2{1|H<1>,2|O<2>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8675	0.115	2	108.9873	0.033	4	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8940	0.000	1	108.8015	0.017	2	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]O)(H)2{1|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7090	0.000	1	108.8015	0.017	2	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]O)(H)2{1|C<4>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0780	0.003	2	109.0780	0.000	2	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]C[5]H)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]C[5]H)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.2490	0.000	1	109.2490	0.000	1	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[5]C)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[5]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.4200	0.000	1	108.4200	0.000	1	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]N[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9500	0.000	1	108.9500	0.000	1	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]O[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]O[5]O)(H)2{1|C<4>,1|N<3>,2|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9467	0.083	3	108.9467	0.007	3	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]O)(H)2{1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	110.2290	0.000	1	110.2290	0.000	1	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(H)2{1|C<2>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9630	0.000	1	108.9488	0.002	5	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0110	0.000	1	108.9488	0.002	5	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(H)2{1|N<3>,1|O<1>,2|C<2>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9490	0.000	1	108.9488	0.002	5	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9105	0.045	2	108.9488	0.002	5	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9290	0.000	1	108.9290	0.000	1	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(H)2{1|C<4>,1|H<1>,1|N<3>,1|S<2>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.6500	0.000	1	108.7662	0.009	5	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(H)2{1|H<1>,1|N<2>,1|O<2>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8515	0.021	2	108.7662	0.009	5	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(H)2{1|N<3>,1|O<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.6900	0.000	1	108.7662	0.009	5	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(H)2{1|N<3>,1|S<2>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7880	0.000	1	108.7662	0.009	5	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(H)2{1|N<3>,1|O<1>,2|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8680	0.188	2	108.8505	0.012	4	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(H)2{1|Si<4>,1|N<3>,2|O<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8330	0.030	2	108.8505	0.012	4	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8490	0.000	1	108.7592	0.015	5	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(H)2{1|C<4>,1|N<3>,2|C<3>,2|O<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8350	0.040	2	108.7592	0.015	5	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7090	0.000	1	108.7592	0.015	5	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.5680	0.000	1	108.7592	0.015	5	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]C)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]C)(H)2{1|N<3>,1|O<1>,1|S<4>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0180	0.000	1	109.0180	0.000	1	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]H)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]H)(H)2{1|C<4>,1|H<1>,1|O<2>,4|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9530	0.000	1	108.9530	0.000	1	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]N[5])(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]N[5])(H)2{1|N<3>,1|O<1>,1|S<4>,4|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.2970	0.000	1	109.2970	0.000	1	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7030	0.000	1	108.7600	0.003	5	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]O)(H)2{1|C<4>,1|N<3>,1|O<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8300	0.000	1	108.7600	0.003	5	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]O)(H)2{1|C<4>,1|O<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7760	0.004	2	108.7600	0.003	5	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]O)(H)2{1|H<1>,2|C<4>,4|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7150	0.000	1	108.7600	0.003	5	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]C)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]C)(H)2{1|N<3>,2|C<3>,2|O<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0250	0.331	2	109.0250	0.110	2	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]O)(H)2{1|N<3>,1|O<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1900	0.000	1	109.1900	0.000	1	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5]C[5]C)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5]C[5]C)(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1980	0.000	1	109.1980	0.000	1	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5]2)(C[5]C[5]C)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]N[5]2)(C[5]C[5]C)(H)2{1|H<1>,1|O<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	107.4680	0.000	1	107.4680	0.000	1	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5]O[5])(C[5]C[5]C)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]N[5]O[5])(C[5]C[5]C)(H)2{1|O<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9490	0.000	1	108.9490	0.000	1	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]C)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]C)(H)2{1|N<3>,1|O<1>,1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0620	0.000	1	109.0620	0.000	1	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]H)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]H)(H)2{1|C<3>,1|N<3>,1|O<1>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1365	0.057	2	109.0620	0.013	4	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]H)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]H)(H)2{1|H<1>,2|C<3>,2|O<2>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9010	0.000	1	109.0620	0.013	4	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]H)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]H)(H)2{1|H<1>,2|C<4>,2|O<2>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0740	0.000	1	109.0620	0.013	4	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]O)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9200	0.000	1	108.7797	0.035	3	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]O)(H)2{1|C<3>,3|C<4>,6|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8510	0.000	1	108.7797	0.035	3	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]O)(H)2{2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.5680	0.000	1	108.7797	0.035	3	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5])(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5])(H)2{1|C<4>,1|N<2>,1|N<3>,5|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0330	0.000	1	109.0875	0.006	2	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5])(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5])(H)2{1|O<1>,1|S<4>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1420	0.000	1	109.0875	0.006	2	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]N[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]N[5]O)(H)2{1|O<1>,1|S<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7870	0.000	1	108.7870	0.000	1	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]O[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]O[5]O)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	106.7370	0.000	1	106.7370	0.000	1	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(H)2{1|H<1>,1|O<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0320	0.069	2	109.0320	0.005	2	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1120	0.000	1	109.0810	0.002	2	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O)(H)2{4|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0500	0.000	1	109.0810	0.002	2	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]C[5])(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]C[5])(H)2{1|O<1>,2|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9550	0.000	1	108.9550	0.000	1	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]N[5])(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]N[5])(H)2{1|C<4>,1|N<2>,1|O<2>,4|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.2680	0.000	1	109.2645	0.000	2	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]N[5])(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]N[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.2610	0.000	1	109.2645	0.000	2	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]N[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2O[5])(C[5]N[5]O)(H)2{2|O<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0055	0.029	2	109.0055	0.001	2	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]C)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8280	0.095	2	108.9247	0.033	3	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]C)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]C[5]C)(H)2{1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1180	0.000	1	108.9247	0.033	3	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]H)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]C[5]H)(H)2{1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8340	0.330	2	108.8340	0.109	2	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]C[5]O)(H)2{1|C<3>,1|N<2>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	110.2170	0.000	1	110.2170	0.000	1	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]N[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<1>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.6570	0.000	1	108.6727	0.002	3	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]N[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]N[5]O)(H)2{1|O<1>,2|H<1>,5|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.6370	0.000	1	108.6727	0.002	3	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]N[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]N[5]O)(H)2{1|O<1>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7240	0.000	1	108.6727	0.002	3	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]O[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]O[5]O)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7280	0.000	1	108.8510	0.030	2	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]O[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]O[5]O)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9740	0.000	1	108.8510	0.030	2	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]N[5])(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]N[5])(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.2800	0.000	1	109.2800	0.000	1	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[6a]N[5])(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[6a]N[5])(H)2{1|N<3>,1|O<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.3020	0.000	1	109.3305	0.002	2	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[6a]N[5])(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[6a]N[5])(H)2{1|O<2>,2|C<4>,4|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.3590	0.000	1	109.3305	0.002	2	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]N[5]O[5])(C[5]N[5]C)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]N[5]O[5])(C[5]N[5]C)(H)2{1|C<3>,1|O<1>,2|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.3990	0.000	1	109.3990	0.000	1	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]O)(H)2{1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0595	0.026	2	109.0595	0.001	2	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]O)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8820	0.000	1	108.8820	0.000	1	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]2)(C[5]N[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]2)(C[5]N[5]O)(H)2{1|C<2>,1|H<1>,1|O<1>,4|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	107.8990	0.000	1	107.8990	0.000	1	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]C)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]C)(H)2{1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9885	0.037	2	108.9363	0.009	3	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]C)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]C)(H)2{1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8320	0.000	1	108.9363	0.009	3	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]H)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]H)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.6970	0.000	1	108.6970	0.000	1	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]N[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]N[5]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0060	0.246	2	109.0060	0.061	2	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[6a]C[5])(C[5]C[5]C)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[6a]C[5])(C[5]C[5]C)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.2010	0.000	1	109.2010	0.000	1	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5]2O[5])(C[5]C[5]H)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5]2O[5])(C[5]C[5]H)(H)2{2|C<3>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1860	0.000	1	109.1860	0.000	1	108.8344	1.854	305	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5,5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3x5]O[5]H)(N[5,5]C[3x5]C[5])(H)2	H(C[5]C[5,5]N[5,5]H)	H(C[5]C[5,5]N[5,5]H)	C[5](C[5,5]C[3x5]O[5]H)(N[5,5]C[3x5]C[5])(H)2{1|O<1>,2|O<2>,4|C<4>}	H(C[5]C[5,5]N[5,5]H)	H(C[5]C[5,5]N[5,5]H)	109.2250	0.000	1	109.2250	0.000	1	109.0420	0.067	2	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5,5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(H)2	H(C[5]C[5,5]N[5,5]H)	H(C[5]C[5,5]N[5,5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(H)2{2|C<4>,2|H<1>,2|O<1>,2|O<2>}	H(C[5]C[5,5]N[5,5]H)	H(C[5]C[5,5]N[5,5]H)	108.8590	0.000	1	108.8590	0.000	1	109.0420	0.067	2	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5,6]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3x5,6,6]C[5]H)(N[5,6]C[5,3x6]C[6])(H)2	H(C[5]C[5,5]N[5,6]H)	H(C[5]C[5,5]N[5,6]H)	C[5](C[5,5]C[3x5,6,6]C[5]H)(N[5,6]C[5,3x6]C[6])(H)2{1|C<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[5]C[5,5]N[5,6]H)	H(C[5]C[5,5]N[5,6]H)	109.8990	0.000	1	109.8990	0.000	1	109.1401	0.138	7	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5,6]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]C[6])(H)2	H(C[5]C[5,5]N[5,6]H)	H(C[5]C[5,5]N[5,6]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]C[6])(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5,5]N[5,6]H)	H(C[5]C[5,5]N[5,6]H)	109.0290	0.000	1	109.1895	0.052	2	109.1401	0.138	7	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5,6]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]C[6])(H)2	H(C[5]C[5,5]N[5,6]H)	H(C[5]C[5,5]N[5,6]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]C[6])(H)2{1|N<2>,1|O<2>,2|C<4>,5|H<1>}	H(C[5]C[5,5]N[5,6]H)	H(C[5]C[5,5]N[5,6]H)	109.3500	0.000	1	109.1895	0.052	2	109.1401	0.138	7	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5,6]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C[6])(H)2	H(C[5]C[5,5]N[5,6]H)	H(C[5]C[5,5]N[5,6]H)	C[5](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C[6])(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5]N[5,6]H)	H(C[5]C[5,5]N[5,6]H)	108.8600	0.000	1	108.9257	0.005	4	109.1401	0.138	7	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5,6]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C[6])(H)2	H(C[5]C[5,5]N[5,6]H)	H(C[5]C[5,5]N[5,6]H)	C[5](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C[6])(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,5]N[5,6]H)	H(C[5]C[5,5]N[5,6]H)	108.9477	0.065	3	108.9257	0.005	4	109.1401	0.138	7	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3,5,5]C[5]H)(N[5]C[5]C)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[3,5,5]C[5]H)(N[5]C[5]C)(H)2{2|H<1>,5|C<4>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	109.1120	0.000	1	109.1120	0.000	1	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(N[5]C[5]C)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[3x5]C[5]H)(N[5]C[5]C)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	109.1280	0.000	1	109.0690	0.007	2	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(N[5]C[5]C)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[3x5]C[5]H)(N[5]C[5]C)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	109.0100	0.000	1	109.0690	0.007	2	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(N[5]C[5,6]S)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(N[5]C[5,6]S)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	108.8950	0.000	1	108.9580	0.008	2	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(N[5]C[5,6]S)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(N[5]C[5,6]S)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	109.0210	0.000	1	108.9580	0.008	2	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(N[5]C[5]C)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]2)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|N<3>,2|O<1>,3|C<3>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	108.8385	0.060	2	108.8385	0.004	2	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]C)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,2|N<2>,3|H<1>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	109.1710	0.000	1	109.1710	0.000	1	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]S)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	109.4350	0.161	2	109.3394	0.022	5	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]S)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]S)(H)2{1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	109.1530	0.000	1	109.3394	0.022	5	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]S)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]S)(H)2{2|C<4>,5|H<1>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	109.3370	0.095	2	109.3394	0.022	5	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]F)(N[5]C[5]C)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]F)(N[5]C[5]C)(H)2{1|F<1>,1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	109.3610	0.129	2	109.3610	0.017	2	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H)2{1|C<3>,1|N<2>,1|O<2>,3|H<1>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	110.4410	0.000	1	109.2852	2.996	9	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	109.0295	0.071	2	109.2852	2.996	9	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H)2{1|C<4>,1|O<2>,1|S<4>,4|H<1>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	107.4510	1.307	2	109.2852	2.996	9	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H)2{1|N<2>,2|C<3>,3|H<1>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	109.4190	0.000	1	109.2852	2.996	9	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	108.8790	0.047	2	109.2852	2.996	9	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H)2{1|S<4>,2|C<4>,4|H<1>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	112.9880	0.000	1	109.2852	2.996	9	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(H)2{1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	108.6530	0.000	1	108.6152	0.016	5	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(H)2{1|C<4>,1|N<3>,1|S<4>,4|H<1>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	108.5290	0.000	1	108.6152	0.016	5	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	108.5480	0.000	1	108.6152	0.016	5	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	108.6730	0.209	2	108.6152	0.016	5	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]N)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]N)(H)2{2|C<4>,5|H<1>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	108.9132	0.117	6	108.9132	0.014	6	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	108.9010	0.000	1	109.0292	0.039	26	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	109.0570	0.000	1	109.0292	0.039	26	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	109.0510	0.000	1	109.0292	0.039	26	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2{1|C<4>,1|N<3>,5|H<1>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	109.1551	0.170	8	109.0292	0.039	26	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	108.9990	0.000	1	109.0292	0.039	26	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	109.2470	0.000	1	109.0292	0.039	26	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	108.8257	0.151	7	109.0292	0.039	26	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2{2|C<3>,5|H<1>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	108.7780	0.000	1	109.0292	0.039	26	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2{2|C<4>,5|H<1>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	109.1103	0.069	3	109.0292	0.039	26	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2{3|C<4>,4|H<1>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	109.1865	0.040	2	109.0292	0.039	26	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]O[5]C)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]O[5]C)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	106.9330	0.000	1	108.4797	1.990	3	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]O[5]C)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]O[5]C)(H)2{1|H<1>,1|N<2>,2|C<3>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	109.6960	0.000	1	108.4797	1.990	3	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]O[5]C)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]O[5]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	108.8100	0.000	1	108.4797	1.990	3	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[6a]N[5])(N[5]C[6a]C[5])(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[6a]N[5])(N[5]C[6a]C[5])(H)2{1|S<4>,2|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	108.9040	0.000	1	108.9040	0.000	1	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]H)(N[5]C[5]S)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]N[5,5]H)(N[5]C[5]S)(H)2{3|C<4>,3|H<1>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	109.1217	0.082	6	109.1217	0.007	6	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]C)(N[5]C[5]H)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]N[5]C)(N[5]C[5]H)(H)2{1|C<3>,1|N<2>,4|H<1>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	108.7690	0.000	1	108.7690	0.000	1	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[5]S)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	109.0740	0.042	2	109.0740	0.002	2	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]O)(N[5]C[5]H)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]N[5]O)(N[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	109.8390	0.000	1	109.8390	0.000	1	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(N[5]C[5]S)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]O[5]C)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	109.1440	0.000	1	109.1755	0.002	2	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(N[5]C[5]S)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]O[5]C)(N[5]C[5]S)(H)2{2|C<4>,3|H<1>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	109.2070	0.000	1	109.1755	0.002	2	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(H)2{1|C<3>,1|N<2>,3|H<1>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	119.8210	0.000	1	110.9250	19.068	6	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	109.1458	0.306	5	110.9250	19.068	6	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	108.9510	0.066	2	109.1001	0.022	7	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	109.1190	0.000	1	109.1001	0.022	7	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	109.1700	0.143	4	109.1001	0.022	7	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]C)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]C)(H)2{2|C<4>,2|O<1>,3|H<1>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	108.3183	1.118	3	108.3183	1.250	3	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]H)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]H)(H)2{2|C<4>,2|O<1>,3|H<1>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	108.4300	0.000	1	108.4300	0.000	1	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5a]2C[5,6a])(N[5]C[5,6a]S)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5a]2C[5,6a])(N[5]C[5,6a]S)(H)2{1|N<3>,5|C<3>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	108.8100	0.000	2	108.8100	0.000	2	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,5]S)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,5]S)(H)2{1|C<4>,1|H<1>,1|O<1>,2|N<3>,3|C<3>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	109.2770	0.000	1	109.2770	0.000	1	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]N)(N[5]C[5]C)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,6a]C[5,5]N)(N[5]C[5]C)(H)2{1|S<2>,2|C<3>,3|H<1>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	109.1720	0.000	1	109.1720	0.000	1	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]S)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]S)(H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	108.7570	0.000	1	108.7570	0.000	1	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(H)2{2|H<1>,5|C<3>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	108.9910	0.000	1	108.9910	0.000	1	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(H)2{1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	108.8280	0.000	1	108.7529	0.056	12	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<2>,3|C<3>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	108.5438	0.110	4	108.7529	0.056	12	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(H)2{1|N<3>,1|O<1>,2|C<2>,2|C<3>,2|H<1>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	108.6853	0.149	3	108.7529	0.056	12	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(H)2{1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	109.1020	0.000	1	108.7529	0.056	12	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(H)2{1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	108.9560	0.296	2	108.7529	0.056	12	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(H)2{1|N<3>,2|C<3>,2|H<1>,2|O<1>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	108.9620	0.000	1	108.7529	0.056	12	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]H)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]H)(H)2{1|C<2>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	109.0490	0.000	1	108.6707	0.120	3	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]H)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]H)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	108.5930	0.000	1	108.6707	0.120	3	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]H)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]H)(H)2{1|H<1>,1|N<3>,1|O<1>,5|C<3>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	108.3700	0.000	1	108.6707	0.120	3	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]S)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]S)(H)2{1|C<2>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	109.0160	0.000	1	108.9665	0.005	2	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]S)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]S)(H)2{1|C<2>,1|O<1>,2|C<3>,2|N<3>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	108.9170	0.000	1	108.9665	0.005	2	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[6a]C[5])(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[6a]C[5])(H)2{1|C<4>,1|N<3>,4|C<3>,5|H<1>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	109.1410	0.000	1	109.1410	0.000	1	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]N[5]C)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]N[5]C)(H)2{1|H<1>,4|C<3>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	109.1090	0.000	1	109.1090	0.000	1	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	108.8093	0.060	3	108.8093	0.004	3	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5]C)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5]C)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	109.1400	0.058	3	109.1400	0.003	3	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[6a]C[5])(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[6a]C[5])(H)2{1|N<2>,1|N<3>,2|H<1>,5|C<3>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	109.1570	0.000	1	109.1570	0.000	1	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5]C)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	109.4200	0.000	1	109.4200	0.000	1	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(N[5]C[5]H)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5]2N[5])(N[5]C[5]H)(H)2{1|Cl<1>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	109.2000	0.000	1	109.1090	0.017	2	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(N[5]C[5]H)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5]2N[5])(N[5]C[5]H)(H)2{1|Cl<1>,1|N<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	109.0180	0.000	1	109.1090	0.017	2	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(N[5]C[5]S)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5]2N[5])(N[5]C[5]S)(H)2{3|H<1>,4|C<3>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	108.9575	0.095	2	108.9575	0.009	2	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(N[5]C[6a]O[5])(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5]2N[5])(N[5]C[6a]O[5])(H)2{1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	109.0850	0.000	1	109.0850	0.000	1	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(N[5]C[5]H)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5]2O[5])(N[5]C[5]H)(H)2{1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	108.5270	0.000	1	108.5270	0.000	1	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(N[5]C[5]S)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5]2O[5])(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	108.9780	0.000	1	108.9780	0.000	1	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]3)(N[5]C[5]C)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5]3)(N[5]C[5]C)(H)2{1|C<4>,1|N<3>,1|O<1>,6|H<1>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	109.0360	0.000	1	109.0360	0.000	1	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]3)(N[5]C[5]S)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5]3)(N[5]C[5]S)(H)2{1|C<4>,1|O<1>,2|C<3>,5|H<1>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	108.7590	0.000	1	108.9730	0.092	2	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]3)(N[5]C[5]S)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5]3)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,5|H<1>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	109.1870	0.000	1	108.9730	0.092	2	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5,6]C[5]H)(N[5]C[5,6]H)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]N[5,5,6]C[5]H)(N[5]C[5,6]H)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	109.2420	0.000	1	109.2420	0.000	1	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[5]C)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[5]C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	106.8220	0.000	1	107.9250	2.433	2	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[5]C)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[5]C)(H)2{2|C<3>,3|H<1>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	109.0280	0.000	1	107.9250	2.433	2	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[5]C[6])(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[5]C[6])(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	109.0120	0.000	1	109.0120	0.000	1	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[5]S)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[5]S)(H)2{1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	109.3590	0.000	1	109.3590	0.000	1	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]C[5])(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]C[5])(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	109.1075	0.070	2	109.1207	0.003	3	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]C[5])(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]C[5])(H)2{3|H<1>,4|C<3>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	109.1470	0.000	1	109.1207	0.003	3	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]P[5])(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]P[5])(H)2{1|B<4>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	109.4900	0.000	1	111.4275	25.383	4	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]P[5])(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]P[5])(H)2{1|N<2>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	118.9600	0.000	1	111.4275	25.383	4	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]P[5])(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]P[5])(H)2{1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	108.5800	0.000	1	111.4275	25.383	4	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]P[5])(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]P[5])(H)2{1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	108.6800	0.000	1	111.4275	25.383	4	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5]O[5]2)(N[5]C[5]C)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]N[5]O[5]2)(N[5]C[5]C)(H)2{1|C<3>,1|O<1>,2|C<4>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	109.3235	0.084	2	109.3235	0.007	2	109.1224	1.740	151	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:S[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(S[5]C[5]O)(H)2	H(C[5]C[5,5]S[5]H)	H(C[5]C[5,5]S[5]H)	C[5](C[5,5]C[5,5]O[5]C)(S[5]C[5]O)(H)2{1|C<4>,1|H<1>,1|O<2>,1|S<3>}	H(C[5]C[5,5]S[5]H)	H(C[5]C[5,5]S[5]H)	111.1660	0.000	1	111.1660	0.000	1	111.1040	0.045	3	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:S[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(S[5]C[5]O)(H)2	H(C[5]C[5,5]S[5]H)	H(C[5]C[5,5]S[5]H)	C[5](C[5,5]N[5,5]C[5]C)(S[5]C[5]O)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5,5]S[5]H)	H(C[5]C[5,5]S[5]H)	110.8680	0.000	1	111.0730	0.084	2	111.1040	0.045	3	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,5]-4:S[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(S[5]C[5]O)(H)2	H(C[5]C[5,5]S[5]H)	H(C[5]C[5,5]S[5]H)	C[5](C[5,5]N[5,5]C[5]C)(S[5]C[5]O)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,5]S[5]H)	H(C[5]C[5,5]S[5]H)	111.2780	0.000	1	111.0730	0.084	2	111.1040	0.045	3	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[3x6]2C[5])(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5]C[5,6,6]C[5,6a]H)	H(C[5]C[5,6,6]C[5,6a]H)	C[5](C[5,6,6]C[3x6]2C[5])(C[5,6a]C[5,6a]C[6a])(H)2{1|O<1>,2|C<3>,3|H<1>,4|C<4>}	H(C[5]C[5,6,6]C[5,6a]H)	H(C[5]C[5,6,6]C[5,6a]H)	98.5983	0.000	1	98.5983	0.000	1	107.3273	9.461	15	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5,6a]C[5,6,6a]C[6a])(H)2	H(C[5]C[5,6,6]C[5,6a]H)	H(C[5]C[5,6,6]C[5,6a]H)	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5,6a]C[5,6,6a]C[6a])(H)2{1|H<1>,2|C<3>,2|O<2>,3|C<4>}	H(C[5]C[5,6,6]C[5,6a]H)	H(C[5]C[5,6,6]C[5,6a]H)	107.0230	0.000	1	107.0230	0.000	1	107.3273	9.461	15	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5]C[5,6,6]C[5,6a]H)	H(C[5]C[5,6,6]C[5,6a]H)	C[5](C[5,6,6]C[5,5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6,6]C[5,6a]H)	H(C[5]C[5,6,6]C[5,6a]H)	108.8780	0.016	2	108.8780	0.000	2	107.3273	9.461	15	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5]C[5,6,6]C[5,6a]H)	H(C[5]C[5,6,6]C[5,6a]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(H)2{1|Cl<1>,1|N<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6,6]C[5,6a]H)	H(C[5]C[5,6,6]C[5,6a]H)	103.6280	0.942	2	106.0025	8.663	4	107.3273	9.461	15	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5]C[5,6,6]C[5,6a]H)	H(C[5]C[5,6,6]C[5,6a]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6,6]C[5,6a]H)	H(C[5]C[5,6,6]C[5,6a]H)	107.2480	0.000	1	106.0025	8.663	4	107.3273	9.461	15	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5]C[5,6,6]C[5,6a]H)	H(C[5]C[5,6,6]C[5,6a]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(H)2{2|H<1>,3|C<3>,3|C<4>}	H(C[5]C[5,6,6]C[5,6a]H)	H(C[5]C[5,6,6]C[5,6a]H)	109.5060	0.000	1	106.0025	8.663	4	107.3273	9.461	15	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5]C[5,6,6]C[5,6a]H)	H(C[5]C[5,6,6]C[5,6a]H)	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,3|H<1>,6|C<3>}	H(C[5]C[5,6,6]C[5,6a]H)	H(C[5]C[5,6,6]C[5,6a]H)	109.0840	0.000	2	108.8560	0.069	4	107.3273	9.461	15	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5]C[5,6,6]C[5,6a]H)	H(C[5]C[5,6,6]C[5,6a]H)	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5,6a]C[5,6a]C[6a])(H)2{2|C<4>,3|H<1>,5|C<3>}	H(C[5]C[5,6,6]C[5,6a]H)	H(C[5]C[5,6,6]C[5,6a]H)	108.6280	0.000	2	108.8560	0.069	4	107.3273	9.461	15	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5]C[5,6,6]C[5,6a]H)	H(C[5]C[5,6,6]C[5,6a]H)	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[5,6a]C[6a])(H)2{1|N<3>,2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6,6]C[5,6a]H)	H(C[5]C[5,6,6]C[5,6a]H)	109.0990	0.000	1	109.1385	0.003	2	107.3273	9.461	15	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5]C[5,6,6]C[5,6a]H)	H(C[5]C[5,6,6]C[5,6a]H)	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[5,6a]C[6a])(H)2{1|N<3>,2|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5,6,6]C[5,6a]H)	H(C[5]C[5,6,6]C[5,6a]H)	109.1780	0.000	1	109.1385	0.003	2	107.3273	9.461	15	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[6,6]2C[5])(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5]C[5,6,6]C[5,6a]H)	H(C[5]C[5,6,6]C[5,6a]H)	C[5](C[5,6,6]C[6,6]2C[5])(C[5,6a]C[5,6a]C[6a])(H)2{1|O<1>,2|C<3>,3|H<1>,4|C<4>}	H(C[5]C[5,6,6]C[5,6a]H)	H(C[5]C[5,6,6]C[5,6a]H)	108.8210	0.000	1	108.8210	0.000	1	107.3273	9.461	15	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]C[5,6]C)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]C[5,6]C)(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<2>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	107.4817	2.191	3	107.9892	2.883	5	108.5572	0.839	50	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]C[5,6]C)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]C[5,6]C)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	108.7505	0.025	2	107.9892	2.883	5	108.5572	0.839	50	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5,6,6]O)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5,6,6]O)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	108.9150	0.042	3	108.9843	0.020	4	108.5572	0.839	50	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5,6,6]O)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5,6,6]O)(H)2{2|H<1>,5|C<4>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	109.1920	0.000	1	108.9843	0.020	4	108.5572	0.839	50	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]C)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]C)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	108.9270	0.000	1	108.8800	0.004	2	108.5572	0.839	50	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]C)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	108.8330	0.000	1	108.8800	0.004	2	108.5572	0.839	50	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]H)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]H)(H)2{2|H<1>,4|C<4>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	109.2820	0.115	2	109.2820	0.013	2	108.5572	0.839	50	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,4x6]C[6,6]H)(C[5]C[5,6,6]O)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,4x6]C[6,6]H)(C[5]C[5,6,6]O)(H)2{2|H<1>,5|C<4>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	108.9700	0.000	1	108.9700	0.000	1	108.5572	0.839	50	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]C)(C[5]C[5]H)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]C)(C[5]C[5]H)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	106.5790	0.000	1	106.5790	0.000	1	108.5572	0.839	50	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]C)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]C)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	108.8535	0.037	2	108.8535	0.001	2	108.5572	0.839	50	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]H)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]H)(H)2{1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	108.5225	0.050	2	108.7410	0.066	4	108.5572	0.839	50	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]H)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]H)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	108.9595	0.060	2	108.7410	0.066	4	108.5572	0.839	50	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5,6]O)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5,6]O)(H)2{1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	108.7340	0.000	1	108.7340	0.000	1	108.5572	0.839	50	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2{1|C<3>,1|O<1>,2|H<1>,5|C<4>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	108.7590	0.000	1	108.1682	1.504	13	108.5572	0.839	50	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2{1|C<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	106.8125	1.562	4	108.1682	1.504	13	108.5572	0.839	50	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2{1|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	108.8845	0.045	2	108.1682	1.504	13	108.5572	0.839	50	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2{1|C<3>,3|C<4>,6|H<1>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	108.6763	0.081	3	108.1682	1.504	13	108.5572	0.839	50	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2{1|O<2>,4|C<4>,5|H<1>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	108.7075	0.012	2	108.1682	1.504	13	108.5572	0.839	50	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2{2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	108.9640	0.000	1	108.1682	1.504	13	108.5572	0.839	50	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]N)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]N)(H)2{5|C<4>,5|H<1>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	108.8736	0.039	7	108.8736	0.002	7	108.5572	0.839	50	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]O)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]O)(H)2{1|O<2>,4|H<1>,5|C<4>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	108.7600	0.000	1	108.7685	0.007	4	108.5572	0.839	50	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]O)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]O)(H)2{5|C<4>,5|H<1>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	108.7713	0.102	3	108.7685	0.007	4	108.5572	0.839	50	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O)(H)2{1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	108.7600	0.000	1	108.7600	0.000	1	108.5572	0.839	50	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]O[6])(C[5]C[5]C)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]O[6])(C[5]C[5]C)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	108.9290	0.000	1	108.9290	0.000	1	108.5572	0.839	50	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[6,6]2C[5])(C[5]C[5]H)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[6,6]2C[5])(C[5]C[5]H)(H)2{2|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	108.9030	0.000	1	108.9030	0.000	1	108.5572	0.839	50	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]N[5,6]O[6,6]C[6])(C[5]C[5]H)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]N[5,6]O[6,6]C[6])(C[5]C[5]H)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	108.7300	0.000	1	108.7300	0.000	1	108.5572	0.839	50	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:N[5,6]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,4x6]O[6,6]H)(N[5,6]C[5,3x6]C[6])(H)2	H(C[5]C[5,6,6]N[5,6]H)	H(C[5]C[5,6,6]N[5,6]H)	C[5](C[5,6,6]C[5,4x6]O[6,6]H)(N[5,6]C[5,3x6]C[6])(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6,6]N[5,6]H)	H(C[5]C[5,6,6]N[5,6]H)	108.3640	0.000	1	108.3640	0.000	1	108.3640	0.000	1	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(N[5]C[5,6,6]C)(H)2	H(C[5]C[5,6,6]N[5]H)	H(C[5]C[5,6,6]N[5]H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(N[5]C[5,6,6]C)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6,6]N[5]H)	H(C[5]C[5,6,6]N[5]H)	108.7080	0.000	1	108.7080	0.000	1	108.8583	0.017	9	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(H)2	H(C[5]C[5,6,6]N[5]H)	H(C[5]C[5,6,6]N[5]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,6,6]N[5]H)	H(C[5]C[5,6,6]N[5]H)	109.0035	0.071	2	108.9865	0.003	4	108.8583	0.017	9	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(H)2	H(C[5]C[5,6,6]N[5]H)	H(C[5]C[5,6,6]N[5]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5,6,6]N[5]H)	H(C[5]C[5,6,6]N[5]H)	108.9695	0.046	2	108.9865	0.003	4	108.8583	0.017	9	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C[6])(H)2	H(C[5]C[5,6,6]N[5]H)	H(C[5]C[5,6,6]N[5]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C[6])(H)2{1|Ru<11>,2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6,6]N[5]H)	H(C[5]C[5,6,6]N[5]H)	108.7930	0.045	2	108.7930	0.002	2	108.8583	0.017	9	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(H)2	H(C[5]C[5,6,6]N[5]H)	H(C[5]C[5,6,6]N[5]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(H)2{1|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5,6,6]N[5]H)	H(C[5]C[5,6,6]N[5]H)	108.7425	0.032	2	108.7425	0.001	2	108.8583	0.017	9	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:B[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(B[5]O[5]O)(H)2	H(C[5]C[5,6]B[5]H)	H(C[5]C[5,6]B[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(B[5]O[5]O)(H)2{5|C<4>}	H(C[5]C[5,6]B[5]H)	H(C[5]C[5,6]B[5]H)	109.6280	0.331	2	109.6280	0.110	2	109.6280	0.110	2	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5,5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[3x5]N[5])(H)2	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[3x5]N[5])(H)2{1|H<1>,1|O<2>,6|C<4>}	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	109.2795	0.025	2	109.2795	0.001	2	109.2795	0.001	2	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5,5a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5a]C[5,5a]C[5a])(H)2	H(C[5]C[5,5a]C[5,6]H)	H(C[5]C[5,5a]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5a]C[5,5a]C[5a])(H)2{1|N<2>,1|N<3>,2|H<1>,4|C<4>}	H(C[5]C[5,5a]C[5,6]H)	H(C[5]C[5,5a]C[5,6]H)	109.6590	0.000	1	109.6590	0.000	1	109.3086	0.689	5	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5,5a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5a]C[5,5a]N[5a])(H)2	H(C[5]C[5,5a]C[5,6]H)	H(C[5]C[5,5a]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5a]C[5,5a]N[5a])(H)2{1|H<1>,1|N<2>,1|N<3>,4|C<4>}	H(C[5]C[5,5a]C[5,6]H)	H(C[5]C[5,5a]C[5,6]H)	109.6535	0.011	2	109.6860	0.003	3	109.3086	0.689	5	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5,5a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5a]C[5,5a]N[5a])(H)2	H(C[5]C[5,5a]C[5,6]H)	H(C[5]C[5,5a]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5a]C[5,5a]N[5a])(H)2{1|H<1>,1|N<2>,2|C<3>,4|C<4>}	H(C[5]C[5,5a]C[5,6]H)	H(C[5]C[5,5a]C[5,6]H)	109.7510	0.000	1	109.6860	0.003	3	109.3086	0.689	5	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5,5a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5,5a]C[5,5a]C[5a])(H)2	H(C[5]C[5,5a]C[5,6]H)	H(C[5]C[5,5a]C[5,6]H)	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5,5a]C[5,5a]C[5a])(H)2{1|N<3>,1|S<2>,2|H<1>,3|C<3>}	H(C[5]C[5,5a]C[5,6]H)	H(C[5]C[5,5a]C[5,6]H)	107.8260	0.000	1	107.8260	0.000	1	109.3086	0.689	5	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5,6]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[3,5,6]C[6]C)(C[5,6]C[3,5,6]C[6])(H)2	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[3,5,6]C[6]C)(C[5,6]C[3,5,6]C[6])(H)2{1|Br<1>,1|O<1>,1|O<2>,4|C<3>}	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	109.1090	0.000	1	109.1090	0.000	1	108.9720	0.726	16	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5,6]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]C[6])(H)2	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]C[6])(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	109.1170	0.000	1	109.1170	0.000	1	108.9720	0.726	16	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5,6]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]N[5,6,6]C[6])(H)2	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]N[5,6,6]C[6])(H)2{1|N<3>,2|H<1>,4|C<3>}	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	109.0440	0.000	1	109.0440	0.000	1	108.9720	0.726	16	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5,6]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6])(H)2	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6])(H)2{1|C<3>,4|C<4>,4|H<1>}	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	108.9600	0.000	1	108.9600	0.000	1	108.9720	0.726	16	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5,6]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,6]C[6])(H)2	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,6]C[6])(H)2{1|Br<1>,1|O<1>,4|C<3>}	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	109.0030	0.000	1	109.0030	0.000	1	108.9720	0.726	16	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5,6]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]2)(H)2	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]2)(H)2{1|C<3>,1|O<1>,2|H<1>,4|C<4>}	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	108.7770	0.000	1	108.7770	0.000	1	108.9720	0.726	16	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5,6]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6])(H)2	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6])(H)2{4|H<1>,5|C<4>}	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	106.3180	0.000	1	106.3180	0.000	1	108.9720	0.726	16	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5,6]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5,6]C[5,6]C[6])(H)2	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	C[5](C[5,6]N[5,6]C[6]H)(C[5,6]C[5,6]C[6])(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	109.3107	1.000	4	109.2283	0.511	7	108.9720	0.726	16	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5,6]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5,6]C[5,6]C[6])(H)2	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	C[5](C[5,6]N[5,6]C[6]H)(C[5,6]C[5,6]C[6])(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	109.1183	0.054	3	109.2283	0.511	7	108.9720	0.726	16	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5,6]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]S)(C[5,6]C[5,6]C[6])(H)2	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	C[5](C[5,6]N[5,6]C[6]S)(C[5,6]C[5,6]C[6])(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	109.3130	0.033	2	109.3130	0.001	2	108.9720	0.726	16	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H)2{1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	109.1215	0.029	2	109.0080	0.015	14	109.0240	0.066	38	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	108.9891	0.121	12	109.0080	0.015	14	109.0240	0.066	38	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]N[6a])(H)2	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]N[6a])(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	108.9920	0.000	1	108.9920	0.000	1	109.0240	0.066	38	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[5]N[6])(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6]C[5,6]C[5]N[6])(C[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,1|O<1>,3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	108.8235	0.029	2	108.8235	0.001	2	109.0240	0.066	38	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	109.0540	0.130	2	109.0658	0.031	5	109.0240	0.066	38	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,3|C<3>,4|C<4>}	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	108.8140	0.000	1	109.0658	0.031	5	109.0240	0.066	38	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(H)2{1|O<2>,2|C<3>,5|C<4>}	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	109.1450	0.000	1	109.0658	0.031	5	109.0240	0.066	38	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(H)2{2|C<3>,6|C<4>}	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	109.2620	0.000	1	109.0658	0.031	5	109.0240	0.066	38	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6]C[5,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H)2{1|O<1>,1|O<2>,2|C<4>,4|C<3>}	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	109.2760	0.000	1	109.2760	0.000	1	109.0240	0.066	38	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	109.1290	0.000	2	109.1290	0.000	2	109.0240	0.066	38	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)2{1|N<3>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	109.2640	0.000	1	109.2640	0.000	1	109.0240	0.066	38	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5a,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6]C[5a,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	108.9970	0.000	1	108.9970	0.000	1	109.0240	0.066	38	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6]C[6,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	109.1682	0.076	5	109.2152	0.018	6	109.0240	0.066	38	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6]C[6,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H)2{1|O<1>,1|O<2>,2|C<3>,4|C<4>}	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	109.4500	0.000	1	109.2152	0.018	6	109.0240	0.066	38	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6]C[6,6a]C[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(H)2{1|N<3>,2|H<1>,6|C<3>}	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	107.7890	0.000	1	107.7890	0.000	1	109.0240	0.066	38	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,1|H<1>,1|O<2>,4|C<3>}	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	109.0530	0.000	1	109.0530	0.000	1	109.0240	0.066	38	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,1|O<2>,4|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	108.8815	0.032	2	108.8815	0.001	2	109.0240	0.066	38	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,1|O<1>,5|C<3>}	H(C[5]C[5,6a]C[5,6]H)	H(C[5]C[5,6a]C[5,6]H)	109.1400	0.000	1	109.1400	0.000	1	109.0240	0.066	38	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[3,5,6,6]C[6]C)(C[5]N[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,5,6,6]C[6]C)(C[5]N[5,6]O)(H)2{2|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	110.9780	0.000	1	110.9780	0.000	1	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]O)(H)2{1|C<3>,1|C<4>,1|S<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	90.4389	15.080	2	90.4389	227.403	2	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5]O)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8160	0.000	1	108.8160	0.000	1	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[3,6,6]C[5,6]H)(C[5]C[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,6,6]C[5,6]H)(C[5]C[5]O)(H)2{2|H<1>,5|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8910	0.000	1	108.8910	0.000	1	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[3,6]C[5,6]C)(C[5]C[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,6]C[5,6]C)(C[5]C[5]O)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.2960	0.000	1	108.2960	0.000	1	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[3x5,6]C[6]C)(C[5]O[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3x5,6]C[6]C)(C[5]O[5]O)(H)2{1|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8220	0.000	1	108.8220	0.000	1	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[3x5,6]C[6]H)(C[5]C[5,5]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3x5,6]C[6]H)(C[5]C[5,5]H)(H)2{1|O<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.4010	0.000	1	109.4010	0.000	1	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,3x6]C[6]2)(C[5]C[5,6,6]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,3x6]C[6]2)(C[5]C[5,6,6]O)(H)2{2|O<2>,3|H<1>,5|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.4130	0.000	1	108.4130	0.000	1	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6,6]H)(C[5]N[5,5]N)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6,6]H)(C[5]N[5,5]N)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9250	0.000	1	108.9250	0.000	1	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5,6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0800	0.000	1	109.0800	0.000	1	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]C)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]C)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0460	0.000	1	109.0460	0.000	1	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]N)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]N)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7330	0.000	1	108.7330	0.000	1	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]O)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9910	0.000	1	108.9460	0.002	3	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]O)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9510	0.000	1	108.9460	0.002	3	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]O)(H)2{3|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8960	0.000	1	108.9460	0.002	3	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]C)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]C)(H)2{1|C<4>,1|O<2>,1|S<2>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8890	0.021	2	109.0074	0.012	5	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]C)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]C)(H)2{1|C<4>,2|O<2>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0990	0.000	1	109.0074	0.012	5	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]C)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]C)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0800	0.010	2	109.0074	0.012	5	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]N)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]N)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8595	0.117	2	108.8804	0.005	7	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]N)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]N)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8888	0.064	5	108.8804	0.005	7	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]O[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]O[5]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.3580	0.000	1	109.2780	0.005	3	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]O[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]O[5]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.2360	0.000	1	109.2780	0.005	3	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]O[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]O[5]O)(H)2{1|S<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.2400	0.000	1	109.2780	0.005	3	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6,6]H)(C[5]C[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6,6]H)(C[5]C[5]O)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.5490	0.000	1	108.5490	0.000	1	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]O[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]O[5]O)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0220	0.000	1	109.0220	0.000	1	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,5,6]O)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	107.2190	0.000	1	107.2190	0.000	1	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]O)(H)2{1|C<4>,1|H<1>,1|I<1>,1|O<2>,2|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9135	0.503	2	108.9135	0.253	2	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	107.2080	0.000	1	108.6857	1.640	3	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O)(H)2{2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.4245	0.067	2	108.6857	1.640	3	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]C)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]C)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9070	0.000	1	108.9070	0.000	1	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9450	0.000	1	108.9450	0.000	1	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]O)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.2670	0.000	1	108.8410	0.812	4	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]O)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	107.4920	0.000	1	108.8410	0.812	4	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]O)(H)2{3|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.3025	0.098	2	108.8410	0.812	4	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]O)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	110.8020	0.000	1	109.4660	1.341	3	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]O)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7540	0.000	1	109.4660	1.341	3	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]O)(H)2{1|Si<4>,1|C<3>,1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8420	0.000	1	109.4660	1.341	3	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5]O)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6150	0.000	1	108.6150	0.000	1	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]O[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]O[5]O)(H)2{1|O<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7390	0.000	1	108.7390	0.000	1	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]O[6]C)(C[5]O[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]O[6]C)(C[5]O[5]O)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1310	0.000	1	109.1310	0.000	1	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]O[6]H)(C[5]O[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]O[6]H)(C[5]O[5]O)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1110	0.000	1	109.1110	0.000	1	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6a]C[6]C)(C[5]C[5,6a]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6a]C[6]C)(C[5]C[5,6a]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8560	0.000	1	108.7850	0.008	3	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6a]C[6]C)(C[5]C[5,6a]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6a]C[6]C)(C[5]C[5,6a]O)(H)2{2|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7495	0.088	2	108.7850	0.008	3	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]2C)(C[5]C[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2C)(C[5]C[5]O)(H)2{2|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	107.8440	0.000	1	107.8440	0.000	1	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]2C)(C[5]O[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2C)(C[5]O[5]O)(H)2{2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1725	1.102	2	109.1725	1.215	2	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]H)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	96.5291	0.000	1	96.5291	0.000	1	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]O)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8190	0.000	1	108.8065	0.000	2	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]O)(H)2{1|O<2>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7940	0.000	1	108.8065	0.000	2	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]N[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0645	0.217	2	109.0645	0.047	2	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]O[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.2840	0.000	1	108.3350	1.551	13	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]O[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]O[5]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9260	0.233	5	108.3350	1.551	13	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]O[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]O[5]O)(H)2{2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	107.7773	1.504	7	108.3350	1.551	13	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]H)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.2723	0.050	3	109.2723	0.002	3	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]O)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0460	0.000	1	109.0280	0.015	5	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]O)(H)2{2|H<1>,5|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0747	0.119	3	109.0280	0.015	5	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]O)(H)2{3|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8700	0.000	1	109.0280	0.015	5	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]O[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]O[5]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7160	0.000	1	108.7160	0.000	1	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]C)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]C)(H)2{1|Br<1>,1|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.5070	0.000	1	109.2981	0.018	16	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]C)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]C)(H)2{1|Cl<1>,1|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.3980	0.032	4	109.2981	0.018	16	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]C)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]C)(H)2{1|H<1>,1|O<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.2539	0.127	8	109.2981	0.018	16	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]C)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]C)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.2130	0.141	3	109.2981	0.018	16	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2{1|C<2>,1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	97.6839	2.845	2	108.0710	15.798	17	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.4811	0.072	10	108.0710	15.798	17	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2{1|H<1>,1|I<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.2420	0.000	1	108.0710	15.798	17	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2{1|H<1>,1|N<3>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.3740	0.000	1	108.0710	15.798	17	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.4710	0.042	3	108.0710	15.798	17	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.2680	0.139	2	109.0180	0.047	7	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7380	0.000	1	109.0180	0.047	7	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9470	0.000	1	109.0180	0.047	7	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H)2{1|C<3>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8240	0.000	1	109.0180	0.047	7	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H)2{2|H<1>,5|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9520	0.000	1	109.0180	0.047	7	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H)2{3|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1290	0.000	1	109.0180	0.047	7	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]O)(H)2{5|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.4520	0.000	1	109.4520	0.000	1	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]2)(C[5]N[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]2)(C[5]N[5]O)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7210	0.072	2	108.7210	0.005	2	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7707	0.073	3	108.7707	0.005	3	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.2320	0.000	1	109.0780	0.011	4	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0265	0.006	2	109.0780	0.011	4	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0270	0.000	1	109.0780	0.011	4	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2{1|C<3>,1|O<2>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	112.3570	0.000	1	109.1069	0.891	14	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8770	0.013	2	109.1069	0.891	14	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2{1|N<2>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8310	0.116	2	109.1069	0.891	14	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2{1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8670	0.000	1	109.1069	0.891	14	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8160	0.000	1	109.1069	0.891	14	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2{1|O<2>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7210	0.000	1	109.1069	0.891	14	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2{1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8435	0.035	2	109.1069	0.891	14	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2{2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9425	0.361	2	109.1069	0.891	14	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2{3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8740	0.168	2	109.1069	0.891	14	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0440	0.000	1	108.9545	0.011	4	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9515	0.131	2	108.9545	0.011	4	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8710	0.000	1	108.9545	0.011	4	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.2360	0.000	1	109.0982	0.016	13	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]O)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1770	0.287	2	109.0982	0.016	13	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]O)(H)2{2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0686	0.085	10	109.0982	0.016	13	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]C)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0330	0.000	1	108.9191	0.025	7	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]C)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]C)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0477	0.013	3	108.9191	0.025	7	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]C)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]C)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7527	0.052	3	108.9191	0.025	7	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[6a]C[5])(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[6a]C[5])(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6510	0.000	1	108.6510	0.000	1	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]Fe)(C[5]C[5]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]Fe)(C[5]C[5]H)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8720	0.000	1	108.8720	0.000	1	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[3,5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[3,5]O)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9110	0.000	1	108.9110	0.000	1	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5]O)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1945	0.474	2	109.2137	0.114	3	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5]O)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.2520	0.000	1	109.2137	0.114	3	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(H)2{2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.4460	0.000	1	108.4460	0.000	1	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.5110	0.000	1	108.3317	1.347	9	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(H)2{1|H<1>,1|O<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8350	0.064	4	108.3317	1.347	9	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(H)2{1|O<1>,1|O<2>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	107.3737	1.803	3	108.3317	1.347	9	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(H)2{1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0130	0.000	1	108.3317	1.347	9	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0660	0.000	1	109.0693	0.153	3	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6800	0.000	1	109.0693	0.153	3	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(H)2{6|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.4620	0.000	1	109.0693	0.153	3	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2{1|Br<1>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.3835	0.023	2	108.8234	0.939	20	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2{1|C<2>,1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.2570	0.000	1	108.8234	0.939	20	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.2570	0.000	1	108.8234	0.939	20	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0880	0.000	1	108.8234	0.939	20	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	106.4240	0.000	1	108.8234	0.939	20	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.2540	0.000	1	108.8234	0.939	20	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9390	0.000	1	108.8234	0.939	20	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.2255	0.033	2	108.8234	0.939	20	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2{1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9161	0.670	7	108.8234	0.939	20	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2{2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.3790	0.000	1	108.8234	0.939	20	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2{2|N<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	107.6195	2.128	2	108.8234	0.939	20	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7770	0.000	1	108.1692	17.514	26	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8390	0.000	1	108.1692	17.514	26	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7680	0.000	1	108.1692	17.514	26	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7905	0.209	2	108.1692	17.514	26	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8455	0.189	2	108.1692	17.514	26	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7885	0.013	2	108.1692	17.514	26	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{1|C<4>,3|H<1>,3|O<2>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7745	0.022	2	108.1692	17.514	26	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8050	0.000	1	108.1692	17.514	26	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{1|H<1>,6|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1180	0.000	1	108.1692	17.514	26	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8025	0.012	2	108.1692	17.514	26	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8825	0.012	4	108.1692	17.514	26	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8773	0.033	3	108.1692	17.514	26	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9220	0.000	1	108.1692	17.514	26	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9290	0.000	1	108.1692	17.514	26	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{3|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	100.0384	17.158	2	108.1692	17.514	26	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5])(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5])(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.3980	0.000	1	109.3980	0.000	1	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]C)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]C)(H)2{2|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.4890	0.000	1	109.4890	0.000	1	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8760	0.000	1	108.8952	0.601	9	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.8990	0.000	1	108.8952	0.601	9	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9210	0.000	1	108.8952	0.601	9	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0760	0.000	1	108.8952	0.601	9	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1780	0.000	1	108.8952	0.601	9	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2{1|Os<6>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7690	0.000	1	108.8952	0.601	9	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2{1|S<4>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0030	0.000	1	108.8952	0.601	9	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2{2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.1675	1.611	2	108.8952	0.601	9	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.2870	0.336	5	109.0198	0.109	16	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.3360	0.000	1	109.0198	0.109	16	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2{1|C<3>,2|C<4>,2|F<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0440	0.000	1	109.0198	0.109	16	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7790	0.000	1	109.0198	0.109	16	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2{1|C<3>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9045	0.049	2	109.0198	0.109	16	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2{1|O<2>,2|C<2>,2|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0470	0.000	1	109.0198	0.109	16	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2{2|C<3>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8597	0.085	3	109.0198	0.109	16	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2{2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.2790	0.000	1	109.0198	0.109	16	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2{2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0090	0.000	1	109.0198	0.109	16	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]N)(C[5]C[5,5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]N)(C[5]C[5,5]O)(H)2{1|H<1>,3|C<4>,3|O<2>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6980	0.000	1	108.6980	0.000	1	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]C)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]C)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9390	0.000	1	108.9390	0.000	1	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]C)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]C)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.2828	0.279	6	109.2828	0.078	6	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]H)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0510	0.000	1	109.0510	0.000	1	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5,6]C)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5,6]C)(H)2{2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7320	0.000	1	108.7320	0.000	1	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.2360	0.000	1	109.2360	0.000	1	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5]C)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|N<2>,1|O<2>,3|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8210	0.000	1	108.8853	0.009	3	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5]C)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5]C)(H)2{1|H<1>,1|N<2>,2|O<2>,3|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9175	0.111	2	108.8853	0.009	3	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]N[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]N[5]O)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8370	0.000	1	108.8370	0.000	1	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]O[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]O[5]O)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1550	0.000	1	109.1550	0.000	1	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(C[5]O[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0220	0.000	1	109.0345	0.000	2	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(C[5]O[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]O[5]O)(H)2{1|C<3>,1|S<4>,2|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0470	0.000	1	109.0345	0.000	2	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]O)(H)2{1|O<2>,2|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8740	0.000	1	108.8740	0.000	1	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[6a]C[5])(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[6a]C[5])(H)2{1|C<4>,1|H<1>,1|N<2>,3|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1410	0.000	1	109.0090	0.035	2	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[6a]C[5])(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[6a]C[5])(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8770	0.000	1	109.0090	0.035	2	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C)(H)2{1|O<1>,2|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9090	0.000	1	108.9090	0.000	1	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.1580	0.000	1	108.5395	0.291	2	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]O)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9210	0.000	1	108.5395	0.291	2	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]O)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.4730	0.000	1	109.9670	0.488	2	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]O)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	110.4610	0.000	1	109.9670	0.488	2	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(H)2{1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1540	0.000	1	109.1540	0.000	1	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]O)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.5580	0.000	1	108.5580	0.000	1	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]C)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]C)(H)2{1|Br<1>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.1420	0.000	1	107.2090	1.741	2	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]C)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]C)(H)2{1|O<1>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	106.2760	0.000	1	107.2090	1.741	2	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(H)2{1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	105.4280	0.000	1	108.0902	3.150	4	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9750	0.000	2	108.0902	3.150	4	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(H)2{1|H<1>,2|C<3>,2|N<3>,2|O<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9830	0.000	1	108.0902	3.150	4	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7320	0.000	1	108.5709	0.286	7	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,2|O<1>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	107.3820	0.000	1	108.5709	0.286	7	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(H)2{1|C<3>,1|N<3>,3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8140	0.052	2	108.5709	0.286	7	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.5560	0.000	1	108.5709	0.286	7	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(H)2{1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8630	0.000	1	108.5709	0.286	7	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8350	0.000	1	108.5709	0.286	7	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]C)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]C)(H)2{1|S<4>,2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8750	0.000	1	108.8750	0.000	1	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]O)(H)2{1|N<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	105.8910	0.000	1	108.3758	1.968	5	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]O)(H)2{2|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9970	0.227	4	108.3758	1.968	5	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]O)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9360	0.000	1	108.6930	0.118	2	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]O)(H)2{4|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.4500	0.000	1	108.6930	0.118	2	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]C[6])(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]C[6])(H)2{1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	106.3545	1.266	2	106.3545	1.604	2	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]H)(H)2{1|N<2>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	104.1490	1.541	2	104.1490	2.376	2	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]O)(H)2{1|C<3>,1|O<1>,1|O<2>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0125	0.069	2	109.0125	0.005	2	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]O[6])(C[5]O[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]O[6])(C[5]O[5]O)(H)2{2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8260	0.000	1	108.8260	0.000	1	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]O[6]2)(C[5]C[5]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]O[6]2)(C[5]C[5]H)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7070	0.000	1	108.8357	0.043	3	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]O[6]2)(C[5]C[5]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]O[6]2)(C[5]C[5]H)(H)2{2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9000	0.246	2	108.8357	0.043	3	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6]2C[5])(C[5]O[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6]2C[5])(C[5]O[5]O)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7045	0.011	2	108.7137	0.000	3	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6]2C[5])(C[5]O[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6]2C[5])(C[5]O[5]O)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7320	0.000	1	108.7137	0.000	3	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]H)(H)2{1|H<1>,2|C<3>,2|C<4>,2|O<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9530	0.000	1	108.9530	0.000	1	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]O[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]O[5]O)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6560	0.000	1	108.6560	0.000	1	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6a]2N[5])(C[5]C[6a]N[5])(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]2N[5])(C[5]C[6a]N[5])(H)2{7|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	104.3560	0.000	1	104.3560	0.000	1	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5])(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5])(H)2{1|C<4>,1|H<1>,5|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.2690	0.000	1	109.2690	0.000	1	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]C)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]C)(H)2{1|N<2>,2|C<2>,2|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9915	0.025	2	108.9915	0.001	2	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]N[5])(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]N[5])(H)2{1|C<4>,4|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.3820	0.049	3	109.3820	0.002	3	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]C)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]C)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.3950	0.000	1	109.3940	0.000	2	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]C)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]C)(H)2{3|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.3930	0.000	1	109.3940	0.000	2	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[6a]N[5])(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2N[5])(C[5]C[6a]N[5])(H)2{1|C<4>,1|S<4>,3|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0780	0.000	1	109.0780	0.000	1	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(H)2{2|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1960	0.023	2	109.1960	0.001	2	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[5]N[5]C)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2O[5])(C[5]N[5]C)(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.3283	0.087	3	109.3283	0.008	3	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6]N[6]O[5])(C[5]C[6a]N[5])(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]N[6]O[5])(C[5]C[6a]N[5])(H)2{1|N<2>,1|O<2>,3|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.2370	0.000	1	109.2370	0.000	1	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,5,6]C[6]H)(C[5]N[5,5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,5,6]C[6]H)(C[5]N[5,5]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.4105	0.026	2	109.4105	0.001	2	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5,6]C)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5,6]C)(H)2{1|N<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9680	0.000	2	108.9680	0.000	2	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]C)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]C)(H)2{1|N<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1000	0.000	3	109.2257	0.099	9	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]C)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]C)(H)2{1|Si<4>,1|N<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.2885	0.380	6	109.2257	0.099	9	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]C)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	111.7095	3.146	2	110.7093	7.949	3	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]C)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]C)(H)2{1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7090	0.000	1	110.7093	7.949	3	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.4090	0.000	1	109.4090	0.000	1	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]O)(H)2{2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0990	0.000	1	109.2335	0.036	2	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]O)(H)2{2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.3680	0.000	1	109.2335	0.036	2	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]O)(C[5]C[5]C)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]O)(C[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1805	0.009	2	109.1805	0.000	2	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]S)(C[5]C[5]C)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]S)(C[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0255	0.118	2	109.0255	0.014	2	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[6]2O[5])(C[5]C[5]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[6]2O[5])(C[5]C[5]H)(H)2{1|C<4>,4|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1430	0.000	1	109.1430	0.000	1	108.6655	5.463	369	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5,6]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,3x6]C[6]H)(N[5,6]C[5,3x6]C[6])(H)2	H(C[5]C[5,6]N[5,6]H)	H(C[5]C[5,6]N[5,6]H)	C[5](C[5,6]C[5,5,3x6]C[6]H)(N[5,6]C[5,3x6]C[6])(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,6]N[5,6]H)	H(C[5]C[5,6]N[5,6]H)	109.0450	0.000	1	109.0450	0.000	1	109.2317	0.034	3	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5,6]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5,6]C[5,6]C[6])(H)2	H(C[5]C[5,6]N[5,6]H)	H(C[5]C[5,6]N[5,6]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5,6]C[5,6]C[6])(H)2{1|N<2>,4|C<4>,4|H<1>}	H(C[5]C[5,6]N[5,6]H)	H(C[5]C[5,6]N[5,6]H)	109.2370	0.000	1	109.2370	0.000	1	109.2317	0.034	3	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5,6]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(N[5,6]C[5,6,6]2)(H)2	H(C[5]C[5,6]N[5,6]H)	H(C[5]C[5,6]N[5,6]H)	C[5](C[5,6]O[5,6]C[6]H)(N[5,6]C[5,6,6]2)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[5]C[5,6]N[5,6]H)	H(C[5]C[5,6]N[5,6]H)	109.4130	0.000	1	109.4130	0.000	1	109.2317	0.034	3	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[3,5,6]N[6]H)(N[5]C[3,5]C)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[3,5,6]N[6]H)(N[5]C[3,5]C)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	108.9320	0.000	1	108.9320	0.000	1	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[4,5,6]C[6]H)(N[5]C[4,5]S)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[4,5,6]C[6]H)(N[5]C[4,5]S)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	108.3510	0.000	1	108.3510	0.000	1	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,4x6]C[6]C)(N[5]C[5,6,6]C)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,4x6]C[6]C)(N[5]C[5,6,6]C)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	108.5890	0.000	1	108.5890	0.000	1	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,4x6]C[6]C)(N[5]C[5,6,6]S)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,4x6]C[6]C)(N[5]C[5,6,6]S)(H)2{3|H<1>,4|C<4>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	108.7900	0.000	1	108.7900	0.000	1	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5]C[6]2)(N[5]C[5,5]C)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,5]C[6]2)(N[5]C[5,5]C)(H)2{1|N<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	108.7450	0.000	1	108.7450	0.000	1	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(N[5]C[5,6,6]S)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6,6]C[6]C)(N[5]C[5,6,6]S)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	109.0130	0.000	1	109.0130	0.000	1	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(N[5]C[5,6]S)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6,6]C[6]C)(N[5]C[5,6]S)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	108.6015	0.022	2	108.6015	0.000	2	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(N[5]N[5,6,6]S)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6,6]C[6]C)(N[5]N[5,6,6]S)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	109.1580	0.000	1	109.1580	0.000	1	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5,6,6]S)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5,6,6]S)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	109.1710	0.000	1	109.1710	0.000	1	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5,6]S)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5,6]S)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	109.2360	0.089	4	109.2414	0.006	5	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5,6]S)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5,6]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	109.2630	0.000	1	109.2414	0.006	5	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]O[6]O)(N[5]C[5,6]C)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6,6]O[6]O)(N[5]C[5,6]C)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	108.6845	0.026	2	108.6845	0.001	2	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6a]C[6]H)(N[5]C[5,6a]C)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6,6a]C[6]H)(N[5]C[5,6a]C)(H)2{2|H<1>,3|C<3>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	108.9220	0.000	1	108.9220	0.000	1	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(N[5]C[5]S)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]2H)(N[5]C[5]S)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	109.3530	0.300	2	109.1630	0.085	4	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(N[5]C[5]S)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]2H)(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	109.0730	0.000	1	109.1630	0.085	4	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(N[5]C[5]S)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]2H)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	108.8730	0.000	1	109.1630	0.085	4	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[5]S)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	108.9170	0.077	3	108.9170	0.006	3	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]S)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	108.9060	0.023	2	109.1828	0.074	5	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]S)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	109.5340	0.000	1	109.1828	0.074	5	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]S)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]S)(H)2{2|C<3>,5|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	109.2840	0.004	2	109.1828	0.074	5	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]C)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]C)(H)2{1|Br<1>,2|C<4>,4|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	108.6890	0.000	1	108.9175	0.104	2	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]C)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]C)(H)2{1|I<1>,2|C<4>,4|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	109.1460	0.000	1	108.9175	0.104	2	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]S)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]S)(H)2{2|C<3>,5|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	108.8135	0.040	2	108.8135	0.002	2	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	109.4180	0.000	1	108.5613	1.742	9	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	107.3387	1.879	3	108.5613	1.742	9	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	109.2560	0.000	1	108.5613	1.742	9	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	109.1680	0.000	1	108.5613	1.742	9	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	108.9210	0.000	1	108.5613	1.742	9	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2{2|C<4>,5|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	109.0670	0.000	1	108.5613	1.742	9	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2{3|C<4>,4|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	109.2060	0.000	1	108.5613	1.742	9	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(H)2{1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	109.1510	0.000	1	109.1510	0.000	1	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<2>,1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	109.0550	0.000	1	109.1423	0.088	74	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<2>,1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	109.4150	0.000	1	109.1423	0.088	74	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	108.9810	0.000	1	109.1423	0.088	74	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	109.0592	0.195	5	109.1423	0.088	74	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	109.1358	0.214	5	109.1423	0.088	74	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	109.2160	0.047	2	109.1423	0.088	74	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	109.0963	0.176	7	109.1423	0.088	74	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	109.2962	0.152	6	109.1423	0.088	74	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	109.0098	0.849	5	109.1423	0.088	74	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	109.3900	0.000	1	109.1423	0.088	74	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	109.1120	0.081	8	109.1423	0.088	74	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	109.0731	0.205	7	109.1423	0.088	74	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	109.2435	0.115	2	109.1423	0.088	74	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	109.4530	0.000	1	109.1423	0.088	74	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	109.2590	0.037	3	109.1423	0.088	74	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	109.2500	0.000	1	109.1423	0.088	74	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	108.8880	0.000	1	109.1423	0.088	74	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{2|C<3>,3|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	109.2150	0.126	2	109.1423	0.088	74	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{2|C<3>,4|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	108.9657	0.405	7	109.1423	0.088	74	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{2|C<3>,5|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	109.3473	0.384	3	109.1423	0.088	74	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{2|C<4>,5|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	109.3770	0.137	3	109.1423	0.088	74	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{3|C<4>,4|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	109.0795	0.052	2	109.1423	0.088	74	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(H)2{1|C<4>,1|H<1>,2|O<1>,3|C<3>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	109.1660	0.000	1	109.0888	0.017	13	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(H)2{1|C<4>,1|N<4>,2|C<3>,5|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	109.0223	0.127	7	109.0888	0.017	13	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	109.3370	0.000	1	109.0888	0.017	13	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(H)2{1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	109.1195	0.056	2	109.0888	0.017	13	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	109.1680	0.000	1	109.0888	0.017	13	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(H)2{1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	109.0890	0.000	1	109.0888	0.017	13	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]N)(N[5]C[5,5]C)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]N)(N[5]C[5,5]C)(H)2{1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	108.9660	0.000	1	108.9660	0.000	1	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(N[5]C[6a]C[5])(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]O)(N[5]C[6a]C[5])(H)2{1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	109.2010	0.000	1	109.2010	0.000	1	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(N[5]C[5,6]S)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]N[6]H)(N[5]C[5,6]S)(H)2{1|O<2>,1|S<4>,2|C<4>,2|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	109.1505	0.224	2	109.1505	0.050	2	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(N[5]C[6a]C[5])(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]N[6]H)(N[5]C[6a]C[5])(H)2{2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	109.1082	0.082	6	109.1082	0.007	6	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(N[5]C[5,6]C)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]O[6]H)(N[5]C[5,6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	108.7800	0.086	3	108.7800	0.007	3	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	108.6475	0.053	2	108.6475	0.003	2	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	108.7510	0.000	1	108.7510	0.000	1	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C)(H)2{1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	108.6627	0.071	3	108.6627	0.005	3	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]H)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]H)(H)2{1|O<1>,2|C<4>,6|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	108.2442	1.555	4	108.2442	2.419	4	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(H)2{1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	109.1160	0.028	2	109.0354	0.039	10	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	108.9910	0.000	1	109.0354	0.039	10	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,5|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	109.0427	0.289	3	109.0354	0.039	10	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(H)2{1|N<3>,2|C<3>,6|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	109.0787	0.215	3	109.0354	0.039	10	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(H)2{3|C<4>,7|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	108.7670	0.000	1	109.0354	0.039	10	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	108.9140	0.000	1	108.9140	0.000	1	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]N[6])(N[5]C[5]C)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5]C[6]N[6])(N[5]C[5]C)(H)2{1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	108.8850	0.000	1	108.8850	0.000	1	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]S)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	108.9928	0.151	4	108.9928	0.023	4	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6a]C[6]S[5])(N[5]C[5]S)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[6,6a]C[6]S[5])(N[5]C[5]S)(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	109.0810	0.000	1	109.0810	0.000	1	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(N[5]C[5]C)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[6]2O[5])(N[5]C[5]C)(H)2{1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	109.3440	0.000	1	109.3440	0.000	1	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6]O[5]O[6])(N[5]C[6a]C[5])(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[6]O[5]O[6])(N[5]C[6a]C[5])(H)2{2|C<3>,2|C<4>,2|O<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	109.2740	0.000	1	109.2740	0.000	1	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(N[5]C[5]C)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]N[5,6]C[6]H)(N[5]C[5]C)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	108.8440	0.000	1	109.0955	0.040	4	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(N[5]C[5]C)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]N[5,6]C[6]H)(N[5]C[5]C)(H)2{1|Ir<6>,2|C<4>,2|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	109.2385	0.125	2	109.0955	0.040	4	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(N[5]C[5]C)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]N[5,6]C[6]H)(N[5]C[5]C)(H)2{1|Rh<6>,2|C<4>,2|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	109.0610	0.000	1	109.0955	0.040	4	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(N[5]S[5]C)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]N[5,6]C[6]H)(N[5]S[5]C)(H)2{2|C<4>,2|H<1>,2|O<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	108.9270	0.000	1	108.9270	0.000	1	109.0209	0.214	178	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:S[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6]O[5,6]H)(S[5]C[5,6]C)(H)2	H(C[5]C[5,6]S[5]H)	H(C[5]C[5,6]S[5]H)	C[5](C[5,6]C[6,6]O[5,6]H)(S[5]C[5,6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]S[5]H)	H(C[5]C[5,6]S[5]H)	108.7880	0.000	1	108.7880	0.000	1	108.7880	0.000	1	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:B[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(B[5]C[5]N)(H)2	H(C[5]B[5]C[5]H)	H(C[5]B[5]C[5]H)	C[5](C[5]C[5]HH)(B[5]C[5]N)(H)2{1|B<4>,3|H<1>}	H(C[5]B[5]C[5]H)	H(C[5]B[5]C[5]H)	108.7930	0.000	1	108.7930	0.000	1	108.7930	0.000	1	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5x3,5x5,20x6]C[5]O)(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	C[5](C[5]C[5x3,5x5,20x6]C[5]O)(C[5,6a]C[5,6a]C[6a])(H)2{1|C<6>,2|C<3>,3|H<1>,4|B<6>}	H(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]H)	109.1830	0.064	2	109.1830	0.004	2	109.1830	0.004	2	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]B[5]CH)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]B[5]CH)(C[5]O[5]O)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.8817	3.396	6	109.8817	11.535	6	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]B[5]Si2)(C[5]N[5]B)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]B[5]Si2)(C[5]N[5]B)(H)2{1|C<3>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.2587	0.094	3	108.2587	0.009	3	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3,5,6]HH)(C[5]C[3,5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5,6]HH)(C[5]C[3,5]O)(H)2{1|S<4>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6430	0.055	2	108.6430	0.003	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3,5,6]HH)(C[5]C[5,6]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5,6]HH)(C[5]C[5,6]O)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6130	0.000	1	108.6130	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3,5]CC)(C[5]C[3,5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5]CC)(C[5]C[3,5]C)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8490	0.000	1	108.8490	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3,5]CH)(C[5]C[3,5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5]CH)(C[5]C[3,5]O)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9110	0.000	1	108.9110	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3,5]C[6a]C)(C[5]C[3,5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5]C[6a]C)(C[5]C[3,5]O)(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6610	0.000	1	108.6610	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3,5]HH)(C[5]C[3,5]N)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5]HH)(C[5]C[3,5]N)(H)2{1|S<4>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	116.0810	0.000	1	116.0810	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(H)2{1|Br<1>,1|C<4>,1|S<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8230	1.215	2	109.6814	7.555	15	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(H)2{1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8630	0.037	6	109.6814	7.555	15	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(H)2{1|C<4>,1|H<1>,1|P<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4590	0.000	1	109.6814	7.555	15	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(H)2{1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	112.1107	6.119	3	109.6814	7.555	15	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.4180	0.000	1	109.6814	7.555	15	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(H)2{1|N<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6290	0.000	1	109.6814	7.555	15	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(H)2{1|S<4>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	111.5590	0.000	1	109.6814	7.555	15	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3,5]HH)(C[5]N[3,5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5]HH)(C[5]N[3,5]C)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9400	0.096	2	108.9400	0.009	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3]N[5]C)(C[5]C[6a]N[5])(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3]N[5]C)(C[5]C[6a]N[5])(H)2{1|O<2>,1|S<4>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1110	0.204	2	109.1110	0.041	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3x5,6]HH)(C[5]C[3x5,6]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3x5,6]HH)(C[5]C[3x5,6]C)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	113.8400	0.000	1	113.8400	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[4,5,5,6]HH)(C[5]C[4,5,5,6]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[4,5,5,6]HH)(C[5]C[4,5,5,6]O)(H)2{2|C<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5990	0.000	1	108.5990	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[4,5]CH)(C[5]C[4,5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[4,5]CH)(C[5]C[4,5]C)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9030	0.000	1	108.9030	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[4,5]HH)(C[5]C[4,5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[4,5]HH)(C[5]C[4,5]O)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7440	0.000	1	109.2895	0.595	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[4,5]HH)(C[5]C[4,5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[4,5]HH)(C[5]C[4,5]O)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.8350	0.000	1	109.2895	0.595	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0100	0.897	4	109.0100	0.805	4	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,3x6]HH)(C[5]N[5,6,6]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,3x6]HH)(C[5]N[5,6,6]O)(H)2{1|O<2>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7380	0.000	1	108.7380	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6,6]CH)(C[5]C[3x5,6,6]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6,6]CH)(C[5]C[3x5,6,6]O)(H)2{1|C<3>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6490	0.000	1	108.6490	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]CC)(C[5]C[5,5,6]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]CC)(C[5]C[5,5,6]O)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6000	0.000	1	108.6000	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5]H)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	115.0580	0.000	1	115.0580	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]C)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2480	0.000	1	109.2480	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]O)(H)2{2|C<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7670	0.051	2	108.7530	0.002	3	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]O)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7250	0.000	1	108.7530	0.002	3	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]H)(H)2{1|C<3>,1|C<4>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0870	0.000	1	109.0870	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]O)(H)2{1|C<3>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6965	0.100	2	108.6847	0.005	3	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]O)(H)2{4|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6610	0.000	1	108.6847	0.005	3	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]N[5,6]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]N[5,6]O)(H)2{1|C<3>,1|C<4>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9470	0.019	4	108.9470	0.000	4	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]N[5,6]S)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]N[5,6]S)(H)2{3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5980	0.000	1	108.5980	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[5]C[5,5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0693	0.047	4	108.9547	0.035	6	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[5]C[5,5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]C)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7930	0.000	1	108.9547	0.035	6	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[5]C[5,5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]C)(H)2{2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6580	0.000	1	108.9547	0.035	6	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[5]C[5,5]N)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]N)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6150	0.000	1	108.6030	0.000	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[5]C[5,5]N)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]N)(H)2{2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5910	0.000	1	108.6030	0.000	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[5]C[5]H)(H)2{3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0170	0.000	1	109.0170	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[5]N[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[5]N[5]C)(H)2{3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1300	0.112	2	109.1300	0.012	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[5]O[5]O)(H)2{1|C<3>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9890	0.000	1	108.9890	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[3x5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]C[3x5]O)(H)2{1|C<4>,1|H<1>,2|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0150	0.000	1	109.0150	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]N)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]N)(H)2{2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5885	0.025	2	108.5885	0.001	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]C[5]C)(H)2{1|C<2>,1|C<4>,1|N<3>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.4340	0.000	1	109.4340	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]C[5]H)(H)2{1|O<2>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2570	0.000	1	109.2570	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]C[5]O)(H)2{3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0590	0.000	1	109.0590	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]N[5,5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]N[5,5]O)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7766	0.101	5	108.7766	0.010	5	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]O[5]O)(H)2{2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8465	0.076	2	108.8465	0.006	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CO)(C[5]N[5,5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CO)(C[5]N[5,5]O)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.3827	1.501	3	108.3827	2.253	3	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a]C)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]C)(C[5]O[5]O)(H)2{4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1310	0.054	2	109.1310	0.003	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	106.1430	0.000	1	108.1455	1.787	4	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(H)2{1|H<1>,1|N<3>,1|O<2>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7210	0.000	1	108.1455	1.787	4	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8810	0.000	1	108.1455	1.787	4	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8370	0.000	1	108.1455	1.787	4	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]H)(H)2{1|N<2>,4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0760	0.000	1	109.1212	0.002	5	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]H)(H)2{1|O<2>,4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1520	0.064	2	109.1212	0.002	5	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]H)(H)2{5|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1130	0.001	2	109.1212	0.002	5	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6240	0.000	1	108.7328	0.020	5	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(H)2{1|C<4>,1|N<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9640	0.000	1	108.7328	0.020	5	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(H)2{1|N<2>,5|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6555	0.013	2	108.7328	0.020	5	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(H)2{5|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7650	0.000	1	108.7328	0.020	5	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5])(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5])(H)2{6|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2390	0.000	1	109.2390	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9820	0.054	2	108.8075	0.656	8	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(H)2{1|S<4>,4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9205	0.091	2	108.8075	0.656	8	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(H)2{2|C<4>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6637	1.213	4	108.8075	0.656	8	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5]O)(H)2{1|C<4>,4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9470	0.066	2	108.8970	0.010	3	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5]O)(H)2{5|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7970	0.000	1	108.8970	0.010	3	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]O[5]O)(H)2{1|C<4>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6390	0.000	1	108.9558	0.017	14	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]O[5]O)(H)2{1|O<2>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1340	0.000	1	108.9558	0.017	14	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]O[5]O)(H)2{4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9673	0.087	12	108.9558	0.017	14	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1005	0.032	2	108.8088	0.110	12	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2{1|C<4>,1|N<3>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7110	0.000	1	108.8088	0.110	12	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0055	0.050	2	108.8088	0.110	12	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6008	0.502	4	108.8088	0.110	12	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7010	0.000	1	108.8088	0.110	12	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2{1|N<3>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8490	0.000	1	108.8088	0.110	12	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8300	0.000	1	108.8088	0.110	12	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8960	0.007	2	110.8134	15.595	5	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2015	0.074	2	110.8134	15.595	5	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	117.8720	0.000	1	110.8134	15.595	5	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]N)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]N)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.1093	1.991	3	107.1093	3.963	3	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2{1|C<2>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7460	0.000	1	108.6087	1.730	15	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2{1|C<2>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6280	0.000	1	108.6087	1.730	15	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9560	0.000	1	108.6087	1.730	15	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6890	0.000	1	108.6087	1.730	15	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9335	0.111	2	108.6087	1.730	15	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9480	0.000	1	108.6087	1.730	15	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0010	0.000	1	108.6087	1.730	15	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9487	0.092	3	108.6087	1.730	15	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2{1|N<2>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.9070	0.000	1	108.6087	1.730	15	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2{1|N<3>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7520	0.000	1	108.6087	1.730	15	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8150	0.000	1	108.6087	1.730	15	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	103.9750	0.000	1	108.6087	1.730	15	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]C)(H)2{1|O<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9745	0.022	2	108.9745	0.000	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9750	0.717	2	108.9877	0.258	3	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0130	0.000	1	108.9877	0.258	3	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]O)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7210	0.086	3	108.7210	0.007	3	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.4470	0.000	1	108.8108	0.264	12	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(H)2{1|C<3>,1|C<4>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8473	0.059	4	108.8108	0.264	12	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8770	0.000	1	108.8108	0.264	12	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7625	0.187	2	108.8108	0.264	12	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1095	0.770	2	108.8108	0.264	12	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(H)2{1|N<3>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1590	0.000	1	108.8108	0.264	12	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(H)2{1|O<2>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1140	0.000	1	108.8108	0.264	12	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5]H)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1370	0.000	1	109.1370	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8504	0.091	8	108.9111	0.032	21	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|N<2>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6840	0.000	1	108.9111	0.032	21	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|N<3>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7110	0.000	1	108.9111	0.032	21	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0815	0.008	2	108.9111	0.032	21	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9070	0.000	1	108.9111	0.032	21	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2{1|O<2>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8127	0.039	4	108.9111	0.032	21	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2{3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1535	0.200	4	108.9111	0.032	21	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]O[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]O[5]C)(H)2{2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0220	0.000	1	109.0220	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9114	0.088	5	108.9326	0.047	16	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(H)2{1|C<4>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9737	0.107	3	108.9326	0.047	16	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(H)2{2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9304	0.304	8	108.9326	0.047	16	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HO)(C[5]C[5,5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HO)(C[5]C[5,5]O)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0000	0.000	1	109.0000	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HO)(C[5]N[5,5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]O)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	111.1183	0.917	3	110.6358	1.493	4	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HO)(C[5]N[5,5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]O)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1880	0.000	1	110.6358	1.493	4	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HO)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HO)(C[5]N[5]O)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.9560	0.000	1	109.9560	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]O)(H)2{1|C<3>,1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4000	0.038	2	108.4193	0.002	3	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]O)(H)2{2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4580	0.000	1	108.4193	0.002	3	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]O)(H)2{2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.3750	0.000	1	107.3750	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6,6]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6,6]H)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0390	0.000	1	109.0390	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6,6]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6,6]O)(H)2{1|Br<1>,1|C<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.3980	0.000	1	108.3980	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6,6]C[6a]H)(C[5]N[5,6]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]C[6a]H)(C[5]N[5,6]O)(H)2{2|C<4>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1290	0.000	1	109.1290	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6,6]HH)(C[5]C[5,3x6]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]HH)(C[5]C[5,3x6]O)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7910	0.000	1	108.7910	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6]C)(H)2{1|C<3>,1|C<4>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9590	0.000	1	108.9590	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6,6]HH)(C[5]N[5,6]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]HH)(C[5]N[5,6]O)(H)2{3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.0770	0.000	1	107.0770	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CC)(C[5]C[5,6]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CC)(C[5]C[5,6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.8030	0.000	1	109.8030	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CC)(C[5]C[5,6]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CC)(C[5]C[5,6]H)(H)2{1|C<3>,1|C<4>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9210	0.000	1	108.5405	0.290	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CC)(C[5]C[5,6]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CC)(C[5]C[5,6]H)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.1600	0.000	1	108.5405	0.290	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CC)(C[5]N[5,6]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CC)(C[5]N[5,6]C)(H)2{1|B<4>,1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8550	0.000	1	107.9287	2.768	3	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CC)(C[5]N[5,6]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CC)(C[5]N[5,6]C)(H)2{1|B<4>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.4655	2.061	2	107.9287	2.768	3	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]C)(H)2{1|Os<9>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5553	0.017	3	108.5553	0.000	3	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.9833	1.933	3	104.4324	57.619	7	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	110.2510	0.000	1	104.4324	57.619	7	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	93.7504	3.797	2	104.4324	57.619	7	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(H)2{3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.3250	0.000	1	104.4324	57.619	7	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5150	0.000	1	108.8716	0.343	10	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6270	0.000	1	108.8716	0.343	10	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)2{1|C<3>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6780	0.000	1	108.8716	0.343	10	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)2{1|C<4>,1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	110.5110	0.000	1	108.8716	0.343	10	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7308	0.102	6	108.8716	0.343	10	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5]H)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2260	0.000	1	109.2260	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]N[5,6]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]N[5,6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0220	0.000	1	109.1865	0.054	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]N[5,6]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]N[5,6]O)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.3510	0.000	1	109.1865	0.054	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]N[5,6]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CO)(C[5]N[5,6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1260	0.000	1	109.1260	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]C[3]H)(C[5]C[5,6]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[3]H)(C[5]C[5,6]O)(H)2{1|N<4>,2|H<1>,4|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.0760	0.000	1	108.0760	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]C[5]H)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[5]H)(C[5]N[5]O)(H)2{1|C<4>,1|O<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9060	0.000	1	108.9060	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]C[5a]H)(C[5]C[5,5,6]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[5a]H)(C[5]C[5,5,6]O)(H)2{3|C<3>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6005	0.019	2	108.6005	0.000	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]H)(H)2{2|C<3>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5506	2.199	9	108.5506	4.835	9	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]O)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7085	0.046	2	108.7085	0.002	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9080	0.000	1	108.9080	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5]O)(H)2{5|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7910	0.000	1	108.7910	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]O)(H)2{1|C<4>,1|S<4>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7010	0.000	1	108.7010	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5]O)(H)2{1|C<4>,4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9540	0.000	1	108.9540	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[6a]H)(C[5]O[5]O)(H)2{1|C<4>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9730	0.000	1	108.9730	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]ClH)(C[5]C[5,5,6]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]ClH)(C[5]C[5,5,6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8550	0.000	1	108.8550	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2{1|C<2>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7050	0.107	2	108.7184	0.124	15	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4750	0.000	1	108.7184	0.124	15	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.8640	0.000	1	108.7184	0.124	15	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.3660	0.000	1	108.7184	0.124	15	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9750	0.000	1	108.7184	0.124	15	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7716	0.246	7	108.7184	0.124	15	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2{3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1425	0.060	2	108.7184	0.124	15	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.7320	0.000	1	107.9645	6.797	8	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(H)2{1|C<3>,1|C<4>,1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2790	0.000	1	107.9645	6.797	8	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7780	0.000	1	107.9645	6.797	8	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	106.5230	4.240	3	107.9645	6.797	8	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(H)2{3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1790	0.069	2	107.9645	6.797	8	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]N)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]N)(H)2{1|C<4>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9570	0.000	1	108.8872	0.014	4	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]N)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]N)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8640	0.133	3	108.8872	0.014	4	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|B<3>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	106.9780	0.000	1	108.6401	2.255	143	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|Br<1>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7800	0.000	1	108.6401	2.255	143	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<2>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6450	0.000	1	108.6401	2.255	143	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7230	0.000	1	108.6401	2.255	143	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9223	0.460	3	108.6401	2.255	143	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7530	0.110	4	108.6401	2.255	143	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<3>,1|H<1>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7370	0.013	2	108.6401	2.255	143	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4536	1.062	12	108.6401	2.255	143	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8930	0.052	2	108.6401	2.255	143	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<4>,1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7597	0.028	4	108.6401	2.255	143	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|C<4>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.1436	3.550	5	108.6401	2.255	143	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|Cl<1>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7810	0.040	2	108.6401	2.255	143	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5820	0.000	1	108.6401	2.255	143	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6934	1.734	81	108.6401	2.255	143	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7908	0.074	20	108.6401	2.255	143	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.4360	0.000	1	108.6401	2.255	143	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)2{4|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8020	0.047	2	108.6401	2.255	143	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.2790	0.000	1	108.7805	0.503	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]H)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2820	0.000	1	108.7805	0.503	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]O)(H)2{1|C<3>,1|N<2>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7940	0.000	2	108.7940	0.000	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.5840	3.355	21	109.0222	3.551	69	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|C<3>,1|C<4>,1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8320	0.078	2	109.0222	3.551	69	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|C<3>,1|C<4>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6750	0.000	1	109.0222	3.551	69	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8363	0.071	3	109.0222	3.551	69	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4843	0.973	7	109.0222	3.551	69	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8780	0.068	2	109.0222	3.551	69	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7925	0.160	4	109.0222	3.551	69	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8248	0.121	26	109.0222	3.551	69	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|N<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9235	0.074	2	109.0222	3.551	69	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8130	0.000	1	109.0222	3.551	69	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5]C)(H)2{2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.6215	0.687	2	107.6215	0.471	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5]O)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8553	0.089	3	108.9537	0.031	8	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5]O)(H)2{1|O<2>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9020	0.000	1	108.9537	0.031	8	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5]O)(H)2{1|O<2>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7610	0.000	1	108.9537	0.031	8	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5]O)(H)2{3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1337	0.128	3	108.9537	0.031	8	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.6639	5.352	5	107.7991	18.062	25	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(H)2{1|C<4>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0380	0.064	3	107.7991	18.062	25	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(H)2{2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	106.6122	5.654	10	107.7991	18.062	25	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(H)2{2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0601	0.458	7	107.7991	18.062	25	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HN)(C[5]C[5,6]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HN)(C[5]C[5,6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0050	0.000	1	109.0050	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HO)(C[5]C[5,6]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HO)(C[5]C[5,6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	110.8710	0.000	1	110.8710	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HO)(C[5]N[5,6]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]O)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9630	0.000	1	108.9630	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HO)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HO)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9360	0.089	3	108.8278	0.433	6	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HO)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HO)(C[5]N[5]O)(H)2{3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7197	1.019	3	108.8278	0.433	6	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]C)(H)2{2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8130	0.000	1	108.8130	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]N)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]N)(H)2{2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6126	0.193	10	108.6126	0.037	10	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(H)2{2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7008	0.211	6	108.7008	0.045	6	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(H)2{1|C<3>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	111.7080	0.000	1	110.2320	4.357	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(H)2{2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7560	0.000	1	110.2320	4.357	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6132	0.089	4	108.6132	0.008	4	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(H)2{4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6410	0.047	4	108.6410	0.002	4	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(H)2{1|C<3>,1|N<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6995	0.012	2	108.7080	0.001	5	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(H)2{2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7137	0.051	3	108.7080	0.001	5	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(H)2{2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4398	0.709	5	108.4398	0.503	5	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2{1|C<3>,1|N<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6460	0.000	1	108.5784	0.115	31	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2{2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5761	0.344	30	108.5784	0.115	31	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]S)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]S)(H)2{2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5880	0.010	2	108.5880	0.000	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]HN)(C[5]C[5,6a]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HN)(C[5]C[5,6a]O)(H)2{2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6760	0.000	1	108.6760	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]C)(H)2{2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6580	0.051	2	108.6580	0.003	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(H)2{2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6690	0.000	1	108.6690	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]HS)(C[5]C[5,6a]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HS)(C[5]C[5,6a]O)(H)2{2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9630	0.000	1	108.9630	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]2C)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2C)(C[5]C[5]C)(H)2{1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9390	0.000	1	108.9390	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]2C)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2C)(C[5]O[5]O)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8330	0.000	1	108.8930	0.007	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]2C)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2C)(C[5]O[5]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9530	0.000	1	108.8930	0.007	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]C[5]C)(H)2{1|Fe<10>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9745	0.285	2	108.9745	0.081	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8870	0.000	1	108.8807	0.022	8	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]C[5]O)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6950	0.000	1	108.8807	0.022	8	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]C[5]O)(H)2{1|Fe<10>,1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9380	0.141	2	108.8807	0.022	8	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]C[5]O)(H)2{1|O<2>,4|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7390	0.000	1	108.8807	0.022	8	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]C[5]O)(H)2{2|H<1>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9497	0.166	3	108.8807	0.022	8	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7740	0.000	1	108.7211	0.007	8	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]N[5]O)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5920	0.000	1	108.7211	0.007	8	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]N[5]O)(H)2{1|C<4>,1|O<1>,1|S<2>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7260	0.000	1	108.7211	0.007	8	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]N[5]O)(H)2{1|C<4>,1|O<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8330	0.000	1	108.7211	0.007	8	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]N[5]O)(H)2{1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7210	0.000	1	108.7211	0.007	8	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]N[5]O)(H)2{1|O<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8180	0.000	1	108.7211	0.007	8	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]N[5]O)(H)2{1|O<1>,4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6525	0.013	2	108.7211	0.007	8	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]O[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]O[5]C)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8913	0.066	3	108.8913	0.004	3	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]O[5]O)(H)2{1|C<3>,1|H<1>,3|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7370	0.000	1	108.7370	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]AuH)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]AuH)(C[5]C[5]H)(H)2{2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1400	0.000	1	109.1400	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]BrH)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]BrH)(C[5]C[5]H)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1040	0.000	1	109.1040	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]BrH)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]BrH)(C[5]O[5]O)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1780	0.000	1	109.1780	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]2)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]2)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9827	0.043	3	108.9827	0.002	3	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9580	0.069	2	108.7592	1.328	44	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5762	1.445	25	108.7592	1.328	44	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1654	0.445	5	108.7592	1.328	44	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2065	0.638	6	108.7592	1.328	44	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5235	0.541	4	108.7592	1.328	44	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8290	0.000	1	108.7592	1.328	44	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2{3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0950	0.000	1	108.7592	1.328	44	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1190	0.000	1	109.0850	0.009	8	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9710	0.000	1	109.0850	0.009	8	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0590	0.000	1	109.0850	0.009	8	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2700	0.000	1	109.0850	0.009	8	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(H)2{3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0652	0.058	4	109.0850	0.009	8	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6580	0.000	1	108.6680	0.072	9	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5754	0.282	5	108.6680	0.072	9	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]O)(H)2{1|C<3>,1|H<1>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8480	0.000	1	108.6680	0.072	9	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]O)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5510	0.000	1	108.6680	0.072	9	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]O)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0780	0.000	1	108.6680	0.072	9	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]C)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0110	0.000	1	109.0218	0.084	16	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]C)(H)2{1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9843	0.057	7	109.0218	0.084	16	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]C)(H)2{1|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2220	0.000	1	109.0218	0.084	16	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]C)(H)2{1|Co<4>,1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9760	0.000	1	109.0218	0.084	16	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]C)(H)2{1|Cu<4>,1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.2310	0.000	1	109.0218	0.084	16	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]C)(H)2{1|Pd<4>,1|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.4440	0.000	1	109.0218	0.084	16	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]C)(H)2{1|S<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8340	0.000	1	109.0218	0.084	16	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]C)(H)2{1|Zn<4>,1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2470	0.316	3	109.0218	0.084	16	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.9375	0.183	2	109.0608	0.468	6	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]O)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6305	0.019	2	109.0608	0.468	6	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]O)(H)2{1|N<3>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6145	0.033	2	109.0608	0.468	6	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]O[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]O[5]C)(H)2{1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0616	0.129	5	109.0616	0.017	5	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]O[5]O)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0050	0.164	2	108.9675	0.011	4	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]O[5]O)(H)2{2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9490	0.000	1	108.9675	0.011	4	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]O[5]O)(H)2{2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9110	0.000	1	108.9675	0.011	4	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2{1|C<2>,1|C<4>,1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6835	0.658	2	108.3158	1.867	13	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7560	0.000	1	108.3158	1.867	13	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.3190	0.000	1	108.3158	1.867	13	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9513	0.081	3	108.3158	1.867	13	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	106.0230	0.000	1	108.3158	1.867	13	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7480	0.000	1	108.3158	1.867	13	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6700	0.000	1	108.3158	1.867	13	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	104.6890	0.000	1	108.3158	1.867	13	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8690	0.000	1	108.3158	1.867	13	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2{4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8100	0.000	1	108.3158	1.867	13	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)2{1|C<3>,2|C<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1205	0.009	2	108.9153	0.524	12	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0400	0.000	1	108.9153	0.524	12	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	106.6480	0.000	1	108.9153	0.524	12	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0090	0.085	2	108.9153	0.524	12	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2810	0.000	2	108.9153	0.524	12	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)2{1|O<2>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1990	0.000	1	108.9153	0.524	12	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)2{3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9240	0.000	1	108.9153	0.524	12	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)2{3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1760	0.109	2	108.9153	0.524	12	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2{1|Br<1>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9190	0.000	1	109.2108	3.347	26	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8033	0.051	3	109.2108	3.347	26	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8990	0.179	3	109.2108	3.347	26	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6970	0.000	1	109.2108	3.347	26	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6360	0.000	1	109.2108	3.347	26	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.8210	1.209	2	109.2108	3.347	26	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1290	0.000	1	109.2108	3.347	26	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6985	0.011	2	109.2108	3.347	26	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.2612	1.426	4	109.2108	3.347	26	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2{2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8105	0.016	2	109.2108	3.347	26	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(H)2{4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	110.5478	3.425	6	109.2108	3.347	26	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]C)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8490	0.000	2	108.8130	0.004	3	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]C)(H)2{1|Ni<4>,1|N<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7410	0.000	1	108.8130	0.004	3	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9192	0.184	10	108.8506	0.020	29	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2{1|C<3>,1|H<1>,1|N<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6370	0.000	1	108.8506	0.020	29	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7644	0.075	7	108.8506	0.020	29	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9265	0.078	2	108.8506	0.020	29	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8075	0.059	2	108.8506	0.020	29	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8480	0.028	2	108.8506	0.020	29	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9340	0.000	1	108.8506	0.020	29	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8320	0.000	1	108.8506	0.020	29	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2{1|O<2>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9185	0.169	2	108.8506	0.020	29	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2{1|S<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7190	0.000	1	108.8506	0.020	29	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9477	0.044	3	108.9516	0.732	32	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9205	0.086	4	108.9516	0.732	32	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0078	0.355	13	108.9516	0.732	32	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2{2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1543	1.300	10	108.9516	0.732	32	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(H)2{2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.6405	1.433	2	108.9516	0.732	32	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0810	0.000	1	109.1210	0.003	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]H)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1610	0.000	1	109.1210	0.003	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5880	0.000	1	108.8306	0.037	7	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]O)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1210	0.000	1	108.8306	0.037	7	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]O)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7490	0.000	2	108.8306	0.037	7	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]O)(H)2{1|Si<4>,1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0370	0.000	1	108.8306	0.037	7	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]O)(H)2{2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6820	0.000	1	108.8306	0.037	7	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]O)(H)2{2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8880	0.000	1	108.8306	0.037	7	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]N[5]N)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]N[5]N)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0610	0.000	1	108.9905	0.010	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]N[5]N)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]N[5]N)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9200	0.000	1	108.9905	0.010	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9560	0.000	1	108.8050	0.009	6	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]N[5]O)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7440	0.071	3	108.8050	0.009	6	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]N[5]O)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8210	0.000	2	108.8050	0.009	6	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]O[5]O)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0400	0.088	4	109.0764	0.012	5	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]O[5]O)(H)2{2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2220	0.000	1	109.0764	0.012	5	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CS)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CS)(C[5]C[5]H)(H)2{1|S<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1170	0.000	1	109.1170	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CS)(C[5]C[5]S)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CS)(C[5]C[5]S)(H)2{3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.3300	0.000	1	109.3300	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CS)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CS)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1440	0.017	2	109.1440	0.000	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C[6]H)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.4980	0.000	1	108.8792	0.101	6	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C[6]H)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7554	0.106	5	108.8792	0.101	6	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C[6]H)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]C[6]H)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7590	0.000	1	108.8090	0.005	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C[6]H)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]C[6]H)(C[5]N[5]O)(H)2{1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8590	0.000	1	108.8090	0.005	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C[6]H)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]C[6]H)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8200	0.030	2	108.8200	0.001	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C[6]O)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]C[6]O)(C[5]C[5]O)(H)2{1|Si<4>,1|O<2>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9460	0.000	1	108.9460	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]ClN)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]ClN)(C[5]C[5]C)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2130	0.000	1	109.2130	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]FF)(C[5]C[5]S)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]FF)(C[5]C[5]S)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0700	0.000	1	109.0700	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]FH)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]FH)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9540	0.000	1	108.9540	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]2)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]2)(H)2{1|C<3>,1|N<2>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9390	0.000	1	108.6222	0.340	12	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]2)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]2)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2850	0.000	1	108.6222	0.340	12	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]2)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]2)(H)2{1|N<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8175	0.103	2	108.6222	0.340	12	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]2)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]2)(H)2{2|C<3>,4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9410	0.081	4	108.6222	0.340	12	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]2)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]2)(H)2{2|S<2>,4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.9608	0.560	4	108.6222	0.340	12	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<2>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9230	0.000	1	108.6724	1.557	114	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<2>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8360	0.000	1	108.6724	1.557	114	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9940	0.097	3	108.6724	1.557	114	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9150	0.000	1	108.6724	1.557	114	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8850	0.000	1	108.6724	1.557	114	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<3>,1|O<1>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6140	0.000	1	108.6724	1.557	114	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6409	0.063	16	108.6724	1.557	114	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<3>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	105.9070	4.015	2	108.6724	1.557	114	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0860	0.000	1	108.6724	1.557	114	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.3699	1.400	13	108.6724	1.557	114	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.5720	1.024	2	108.6724	1.557	114	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	106.4760	0.000	1	108.6724	1.557	114	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9165	0.046	2	108.6724	1.557	114	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5932	0.614	6	108.6724	1.557	114	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<4>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	106.1660	3.715	2	108.6724	1.557	114	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0070	0.218	2	108.6724	1.557	114	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8425	0.182	4	108.6724	1.557	114	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|Cl<1>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	113.4610	0.000	1	108.6724	1.557	114	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0250	0.000	1	108.6724	1.557	114	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0550	0.414	2	108.6724	1.557	114	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1000	0.000	1	108.6724	1.557	114	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|N<2>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8710	0.050	3	108.6724	1.557	114	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|N<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9835	0.279	15	108.6724	1.557	114	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|O<1>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2537	0.559	3	108.6724	1.557	114	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|O<1>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8860	0.065	2	108.6724	1.557	114	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|O<2>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9840	0.156	3	108.6724	1.557	114	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|O<2>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7640	0.000	1	108.6724	1.557	114	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|P<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0380	0.000	1	108.6724	1.557	114	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|P<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0383	0.026	3	108.6724	1.557	114	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|Pt<4>,1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8910	0.048	2	108.6724	1.557	114	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|S<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0620	0.000	1	108.6724	1.557	114	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7515	0.087	2	108.6724	1.557	114	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7290	0.000	1	108.6724	1.557	114	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7673	0.069	6	108.6724	1.557	114	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0800	0.069	2	108.6724	1.557	114	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	106.9308	3.691	4	108.6724	1.557	114	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7810	0.000	1	108.6724	1.557	114	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]Cl)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]Cl)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	105.1250	0.000	1	105.1250	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|C<2>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9800	0.000	1	109.0214	0.178	56	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0645	0.110	2	109.0214	0.178	56	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1560	0.000	1	109.0214	0.178	56	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|C<3>,1|N<3>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0150	0.099	2	109.0214	0.178	56	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9430	0.038	2	109.0214	0.178	56	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|C<3>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8100	0.000	2	109.0214	0.178	56	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0873	0.047	3	109.0214	0.178	56	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1449	0.780	9	109.0214	0.178	56	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0680	0.033	2	109.0214	0.178	56	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9710	0.059	5	109.0214	0.178	56	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0985	0.168	2	109.0214	0.178	56	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0175	0.097	4	109.0214	0.178	56	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9900	0.000	1	109.0214	0.178	56	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1986	0.142	7	109.0214	0.178	56	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|Ir<6>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1290	0.000	1	109.0214	0.178	56	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|N<3>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9250	0.000	1	109.0214	0.178	56	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|O<1>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8747	0.114	3	109.0214	0.178	56	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|O<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9433	0.042	3	109.0214	0.178	56	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{1|Si<4>,1|N<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0740	0.000	1	109.0214	0.178	56	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{2|H<1>,2|S<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.0480	0.000	1	109.0214	0.178	56	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.3550	0.000	1	109.0214	0.178	56	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)2{4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1040	0.040	2	109.0214	0.178	56	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]Ir)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]Ir)(H)2{2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.2650	0.000	1	108.2650	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8975	0.078	2	108.9166	0.166	88	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8862	0.194	17	108.9166	0.166	88	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0050	0.146	2	108.9166	0.166	88	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9515	0.004	2	108.9166	0.166	88	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0950	0.000	1	108.9166	0.166	88	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{1|O<1>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9655	0.195	4	108.9166	0.166	88	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{1|P<3>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7700	0.000	1	108.9166	0.166	88	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{1|P<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0117	0.104	24	108.9166	0.166	88	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{1|P<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9685	0.122	2	108.9166	0.166	88	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{1|Si<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8070	0.000	1	108.9166	0.166	88	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9310	0.087	4	108.9166	0.166	88	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)2{4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8362	0.690	28	108.9166	0.166	88	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<2>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8512	0.333	15	108.7138	3.516	200	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7725	0.042	2	108.7138	3.516	200	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.3902	1.543	25	108.7138	3.516	200	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9280	0.000	1	108.7138	3.516	200	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7720	0.000	1	108.7138	3.516	200	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4175	0.687	2	108.7138	3.516	200	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7844	0.025	5	108.7138	3.516	200	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7390	0.000	1	108.7138	3.516	200	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8380	0.000	1	108.7138	3.516	200	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,1|S<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8123	0.019	3	108.7138	3.516	200	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7178	0.269	5	108.7138	3.516	200	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8760	0.034	3	108.7138	3.516	200	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6620	0.000	1	108.7138	3.516	200	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7629	0.106	8	108.7138	3.516	200	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<4>,1|N<3>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7480	0.000	1	108.7138	3.516	200	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<4>,1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8980	0.035	2	108.7138	3.516	200	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6849	0.929	16	108.7138	3.516	200	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<4>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7255	0.862	13	108.7138	3.516	200	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<4>,1|P<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.4893	0.020	3	108.7138	3.516	200	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8970	0.000	1	108.7138	3.516	200	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.2356	3.468	20	108.7138	3.516	200	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|H<1>,1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8470	0.051	3	108.7138	3.516	200	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8487	2.461	4	108.7138	3.516	200	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	106.3940	0.000	1	108.7138	3.516	200	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8310	0.000	1	108.7138	3.516	200	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|H<1>,1|O<2>,2|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7610	0.000	1	108.7138	3.516	200	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|H<1>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0083	0.300	4	108.7138	3.516	200	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|H<1>,1|S<4>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	104.6360	0.000	1	108.7138	3.516	200	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0370	0.000	1	108.7138	3.516	200	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8743	0.084	6	108.7138	3.516	200	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|I<2>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7218	0.087	4	108.7138	3.516	200	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|N<2>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7135	0.199	4	108.7138	3.516	200	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|O<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7520	0.000	1	108.7138	3.516	200	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|O<2>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5680	0.000	1	108.7138	3.516	200	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8350	0.000	1	108.7138	3.516	200	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	110.4938	3.458	5	108.7138	3.516	200	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8350	0.000	1	108.7138	3.516	200	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6364	4.806	12	108.7138	3.516	200	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.3958	0.983	5	108.7138	3.516	200	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5547	0.269	3	108.7138	3.516	200	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)2{4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.4064	0.977	12	108.7138	3.516	200	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]P)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]P)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0064	0.051	5	109.1240	0.013	31	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]P)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]P)(H)2{1|N<2>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9260	0.000	1	109.1240	0.013	31	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]P)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]P)(H)2{1|N<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1554	0.100	25	109.1240	0.013	31	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]Si)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]Si)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9410	0.058	2	108.9410	0.003	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]2)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]2)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.3470	0.000	1	109.3470	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4080	2.547	2	108.8575	0.719	66	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7996	0.155	7	108.8575	0.719	66	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8620	0.020	2	108.8575	0.719	66	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7746	0.110	8	108.8575	0.719	66	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{1|Cu<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0540	0.120	9	108.8575	0.719	66	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{1|Fe<6>,1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7685	0.182	4	108.8575	0.719	66	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9962	0.031	5	108.8575	0.719	66	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.4680	0.000	1	108.8575	0.719	66	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{1|N<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1420	0.000	1	108.8575	0.719	66	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{1|Ni<3>,1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.9715	1.173	2	108.8575	0.719	66	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{1|Ni<4>,1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9506	1.736	12	108.8575	0.719	66	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{1|Ni<5>,1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0420	0.112	2	108.8575	0.719	66	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{1|O<1>,1|S<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7050	0.031	2	108.8575	0.719	66	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{1|Rh<4>,1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0413	0.021	3	108.8575	0.719	66	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{1|Rh<6>,1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0260	0.148	2	108.8575	0.719	66	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{1|W<7>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1230	0.000	1	108.8575	0.719	66	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.6610	0.000	1	108.8575	0.719	66	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6545	0.528	2	108.8575	0.719	66	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]Cr)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]Cr)(H)2{3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5490	0.000	1	108.5490	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]H)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1420	0.000	1	110.1853	7.916	6	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]H)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4650	0.000	1	110.1853	7.916	6	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]H)(H)2{1|C<4>,1|O<1>,1|P<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	115.8540	0.000	1	110.1853	7.916	6	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]H)(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6760	0.000	1	110.1853	7.916	6	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]H)(H)2{1|Mo<6>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2170	0.000	1	110.1853	7.916	6	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]H)(H)2{1|W<7>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.7580	0.000	1	110.1853	7.916	6	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]Ir)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]Ir)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.4220	0.000	1	109.4220	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]N)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]N)(H)2{1|Al<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0440	0.032	4	108.9160	1.175	20	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]N)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]N)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8935	0.078	2	108.9160	1.175	20	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]N)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]N)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	104.3770	0.000	1	108.9160	1.175	20	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]N)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]N)(H)2{1|Cr<6>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2210	0.000	1	108.9160	1.175	20	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]N)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]N)(H)2{1|Cu<2>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1390	0.000	1	108.9160	1.175	20	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]N)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]N)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0837	0.123	4	108.9160	1.175	20	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]N)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]N)(H)2{1|N<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1410	0.052	2	108.9160	1.175	20	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]N)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]N)(H)2{1|Pd<4>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.4006	0.137	5	108.9160	1.175	20	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|B<6>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9400	0.042	2	108.8141	1.059	634	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|Br<1>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7931	0.071	14	108.8141	1.059	634	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<2>,1|C<3>,1|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	110.6040	0.000	1	108.8141	1.059	634	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<2>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6090	0.000	1	108.8141	1.059	634	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7599	0.920	23	108.8141	1.059	634	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|S<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.3230	0.000	1	108.8141	1.059	634	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6755	0.047	2	108.8141	1.059	634	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9370	0.000	1	108.8141	1.059	634	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8330	0.103	6	108.8141	1.059	634	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7925	0.365	56	108.8141	1.059	634	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|S<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7535	0.023	2	108.8141	1.059	634	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.3285	0.876	2	108.8141	1.059	634	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9915	0.340	67	108.8141	1.059	634	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9870	0.000	1	108.8141	1.059	634	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,1|O<2>,1|V<8>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8620	0.000	1	108.8141	1.059	634	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<4>,1|N<2>,1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7210	0.000	1	108.8141	1.059	634	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7147	0.708	55	108.8141	1.059	634	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.9682	2.037	4	108.8141	1.059	634	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7777	1.317	171	108.8141	1.059	634	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|Co<6>,1|C<3>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0460	0.000	1	108.8141	1.059	634	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|Cu<4>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9555	0.054	2	108.8141	1.059	634	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0801	1.348	50	108.8141	1.059	634	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7100	0.330	2	108.8141	1.059	634	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2373	1.229	12	108.8141	1.059	634	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|I<1>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8582	0.776	28	108.8141	1.059	634	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|I<2>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8808	0.040	5	108.8141	1.059	634	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|N<3>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7579	0.049	7	108.8141	1.059	634	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|N<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8032	0.099	13	108.8141	1.059	634	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|N<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9440	0.000	1	108.8141	1.059	634	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|O<1>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7555	0.568	47	108.8141	1.059	634	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|O<1>,1|S<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6688	0.046	4	108.8141	1.059	634	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|O<2>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7740	0.116	2	108.8141	1.059	634	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|Pd<4>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9921	0.075	17	108.8141	1.059	634	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|Pd<4>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9263	0.014	3	108.8141	1.059	634	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|Pd<6>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0260	0.013	2	108.8141	1.059	634	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|Pt<4>,1|C<3>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.8620	0.000	1	108.8141	1.059	634	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|Pt<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.3730	0.495	2	108.8141	1.059	634	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|Pt<5>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.5665	0.062	2	108.8141	1.059	634	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|Rh<5>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1447	0.217	3	108.8141	1.059	634	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	106.2537	3.184	4	108.8141	1.059	634	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.4720	0.000	1	108.8141	1.059	634	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.1920	2.501	14	108.8141	1.059	634	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]S)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]S)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7910	0.000	1	108.7910	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]C)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7940	0.000	1	109.0115	0.095	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]C)(H)2{2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2290	0.000	1	109.0115	0.095	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]H)(H)2{1|Ca<6>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5580	0.000	1	107.3438	10.914	6	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]H)(H)2{1|Li<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	104.3505	5.243	2	107.3438	10.914	6	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]H)(H)2{2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9347	0.218	3	107.3438	10.914	6	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]Ir)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]Ir)(H)2{2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7840	0.000	1	108.7840	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.0424	2.040	8	108.7154	0.997	38	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]O)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8554	0.420	16	108.7154	0.997	38	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]O)(H)2{1|C<4>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7930	0.000	1	108.7154	0.997	38	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]O)(H)2{2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8998	0.166	10	108.7154	0.997	38	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]O)(H)2{2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1223	0.226	3	108.7154	0.997	38	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]Re)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]Re)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6480	0.000	1	108.7710	0.030	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]Re)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]Re)(H)2{2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8940	0.000	1	108.7710	0.030	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]Ru)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]Ru)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7720	0.000	1	108.7657	0.008	3	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]Ru)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]Ru)(H)2{2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7625	0.128	2	108.7657	0.008	3	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]C)(H)2{1|Pt<4>,1|C<3>,1|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.1205	0.054	2	108.1205	0.003	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]C)(H)2{2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0720	0.000	1	109.0720	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]Se[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]Se[5]C)(H)2{2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5275	0.033	4	108.5275	0.001	4	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]C[5]C)(H)2{1|C<3>,1|P<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0030	0.000	1	108.9270	0.012	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]C[5]C)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8510	0.000	1	108.9270	0.012	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]C[5]H)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2080	0.182	5	109.2080	0.033	5	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]N[5]O)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9260	0.000	1	109.7044	2.351	8	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]N[5]O)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7240	0.000	1	109.7044	2.351	8	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]N[5]O)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0970	0.000	1	109.7044	2.351	8	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]N[5]O)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9990	0.000	1	109.7044	2.351	8	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]N[5]O)(H)2{1|O<1>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	110.4723	1.972	4	109.7044	2.351	8	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]O[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]O[5]C)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1170	0.000	1	109.1170	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]O[5]O)(H)2{1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7740	0.000	1	109.4731	1.100	7	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]O[5]O)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.7200	1.175	5	109.4731	1.100	7	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]O[5]O)(H)2{1|H<1>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9380	0.000	1	109.4731	1.100	7	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]C[5]C)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9240	0.000	1	108.9823	0.032	4	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]C[5]C)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1820	0.000	1	108.9823	0.032	4	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]C[5]C)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7630	0.000	1	108.9823	0.032	4	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]C[5]C)(H)2{3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0600	0.000	1	108.9823	0.032	4	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]C[5]H)(H)2{3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2130	0.107	2	109.2130	0.012	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]C[5]O)(H)2{1|S<2>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9920	0.000	1	108.9920	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8790	0.121	3	108.9568	0.009	22	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8990	0.000	1	108.9568	0.009	22	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9440	0.000	2	108.9568	0.009	22	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9910	0.050	5	108.9568	0.009	22	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0240	0.000	1	108.9568	0.009	22	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9650	0.000	1	108.9568	0.009	22	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9596	0.134	7	108.9568	0.009	22	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0500	0.000	1	108.9568	0.009	22	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9150	0.000	1	108.9568	0.009	22	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8760	0.000	1	108.8583	0.012	6	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9600	0.113	2	108.8583	0.012	6	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(H)2{2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7847	0.062	3	108.8583	0.012	6	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HP)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HP)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9250	0.000	1	108.8440	0.013	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HP)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HP)(C[5]N[5]O)(H)2{2|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7630	0.000	1	108.8440	0.013	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HP)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HP)(C[5]O[5]O)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1430	0.000	1	109.0545	0.016	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HP)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HP)(C[5]O[5]O)(H)2{2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9660	0.000	1	109.0545	0.016	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HS)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HS)(C[5]C[5]O)(H)2{1|O<2>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0260	0.000	1	108.9585	0.009	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HS)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HS)(C[5]C[5]O)(H)2{1|Si<4>,1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8910	0.000	1	108.9585	0.009	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HS)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HS)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.3984	3.390	5	108.4682	9.224	6	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HS)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HS)(C[5]N[5]O)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8170	0.000	1	108.4682	9.224	6	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HS)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HS)(C[5]O[5]O)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9680	0.000	1	108.9450	0.001	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HS)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HS)(C[5]O[5]O)(H)2{1|H<1>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9220	0.000	1	108.9450	0.001	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]O)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7240	0.000	1	108.7240	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[6a]N[5])(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[6a]N[5])(H)2{1|Fe<10>,2|C<4>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9630	0.000	1	108.9630	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8736	0.088	5	108.8577	0.005	8	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8550	0.000	1	108.8577	0.005	8	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]O[5]O)(H)2{1|O<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8220	0.000	1	108.8577	0.005	8	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]O[5]O)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8170	0.000	1	108.8577	0.005	8	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]ReH)(C[5]N[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]ReH)(C[5]N[5]C)(H)2{1|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9100	0.000	1	108.9100	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]SS)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]SS)(C[5]C[5]C)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0070	0.000	1	109.0070	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]SiH)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]SiH)(C[5]C[5]H)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0690	0.000	1	109.0690	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]SiH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]SiH)(C[5]N[5]O)(H)2{1|C<2>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	111.1940	0.000	1	109.4030	6.415	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]SiH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]SiH)(C[5]N[5]O)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.6120	0.000	1	109.4030	6.415	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]TiN)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]TiN)(C[5]C[5]C)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8365	0.023	2	108.8365	0.001	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5a]C[5]C)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]C)(C[5]C[5]H)(H)2{1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9240	0.000	1	108.9240	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]C)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7540	0.000	1	108.7540	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]H)(C[5]N[5]O)(H)2{1|N<3>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7780	0.000	1	109.5165	1.872	4	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]H)(C[5]N[5]O)(H)2{1|O<2>,4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8600	0.025	2	109.5165	1.872	4	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]H)(C[5]N[5]O)(H)2{1|S<2>,4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	111.5680	0.000	1	109.5165	1.872	4	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]H)(C[5]O[5]O)(H)2{1|C<4>,1|S<2>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6040	0.000	1	108.6040	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5a]C[6a]C[5])(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[6a]C[5])(C[5]N[5]O)(H)2{1|H<1>,1|O<2>,4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8150	0.000	1	108.8150	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5a]N[5]H)(C[5]C[5a]N[5])(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]N[5]H)(C[5]C[5a]N[5])(H)2{1|O<2>,1|S<2>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1780	0.000	1	108.7390	0.385	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5a]N[5]H)(C[5]C[5a]N[5])(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]N[5]H)(C[5]C[5a]N[5])(H)2{2|O<2>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.3000	0.000	1	108.7390	0.385	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2{1|H<1>,4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.3950	0.000	1	109.1559	0.009	15	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2{1|O<2>,4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1303	0.059	3	109.1559	0.009	15	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2{1|S<2>,4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2015	0.060	2	109.1559	0.009	15	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2{5|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1278	0.071	9	109.1559	0.009	15	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5a]N[5]H)(C[5]N[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]N[5]H)(C[5]N[5]C)(H)2{1|O<2>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1230	0.024	2	109.1230	0.001	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5a]O[5]H)(C[5]C[6a]N[5])(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]O[5]H)(C[5]C[6a]N[5])(H)2{4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.3360	0.000	1	109.3360	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5a]O[5]O)(C[5]C[6a]N[5])(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]O[5]O)(C[5]C[6a]N[5])(H)2{1|O<2>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.4280	0.000	1	109.4280	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5x3,6x5,20x6]CH)(C[5]C[5x3,6x5,20x6]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5x3,6x5,20x6]CH)(C[5]C[5x3,6x5,20x6]C)(H)2{6|B<6>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.1893	0.138	4	108.1893	0.019	4	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5x3,6x5,20x6]CH)(C[5]C[5x3,6x5,20x6]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5x3,6x5,20x6]CH)(C[5]C[5x3,6x5,20x6]O)(H)2{6|B<6>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.1140	0.000	1	108.1140	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5x3,6x5,20x6]HH)(C[5]C[5x3,6x5,20x6]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5x3,6x5,20x6]HH)(C[5]C[5x3,6x5,20x6]C)(H)2{6|B<6>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.0650	0.000	1	108.0650	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6,6]C[5]H)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6,6]C[5]H)(C[5]N[5]O)(H)2{1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7540	0.000	1	108.7540	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6]N[5]H)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6]N[5]H)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7930	0.000	1	108.7930	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6]O[5]C)(C[5]C[6a]N[5])(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6]O[5]C)(C[5]C[6a]N[5])(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.3470	0.000	1	109.3780	0.002	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6]O[5]C)(C[5]C[6a]N[5])(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6]O[5]C)(C[5]C[6a]N[5])(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.4090	0.000	1	109.3780	0.002	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]2C[5])(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]2C[5])(C[5]C[5]H)(H)2{1|H<1>,1|O<2>,5|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1570	0.000	1	109.1570	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]2C[5])(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]2C[5])(C[5]N[5]O)(H)2{1|O<1>,5|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7097	0.096	3	108.7097	0.009	3	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]2N[5])(C[5]C[6a]N[5])(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]2N[5])(C[5]C[6a]N[5])(H)2{7|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1390	0.000	1	109.1390	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]2O[5])(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]2O[5])(C[5]C[5]C)(H)2{2|H<1>,4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1530	0.000	1	109.1530	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]C)(H)2{2|C<2>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9270	0.000	1	109.0655	0.038	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]C)(H)2{2|C<3>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2040	0.000	1	109.0655	0.038	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]H)(H)2{2|H<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1720	0.000	1	109.1720	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.9323	3.203	3	108.5050	2.192	11	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7560	0.000	1	108.5050	2.192	11	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(H)2{1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7378	0.062	6	108.5050	2.192	11	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(H)2{1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5750	0.000	1	108.5050	2.192	11	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]O[5]O)(H)2{1|H<1>,1|S<2>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9060	0.000	1	108.9177	0.074	4	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]O[5]O)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0950	0.202	2	108.9177	0.074	4	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]O[5]O)(H)2{4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5750	0.000	1	108.9177	0.074	4	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5,5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5,5]O)(H)2{1|H<1>,5|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7395	0.039	2	108.7395	0.002	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5,6]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5,6]O)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	106.9175	2.979	2	106.9175	8.875	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(H)2{1|C<2>,1|C<4>,1|N<3>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1647	0.017	3	109.0200	0.028	6	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(H)2{1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7740	0.000	1	109.0200	0.028	6	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(H)2{1|N<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9260	0.007	2	109.0200	0.028	6	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(H)2{1|H<1>,4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8811	0.108	7	108.9281	0.028	8	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(H)2{1|Si<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2570	0.000	1	108.9281	0.028	8	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N)(H)2{2|H<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0115	0.018	2	109.0115	0.000	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2{1|C<4>,1|O<2>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7740	0.028	2	108.7537	0.010	15	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2{1|C<4>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7200	0.091	2	108.7537	0.010	15	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2{1|H<1>,1|N<3>,4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7010	0.000	1	108.7537	0.010	15	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2{1|H<1>,1|O<2>,4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6460	0.000	1	108.7537	0.010	15	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2{1|H<1>,4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9380	0.000	2	108.7537	0.010	15	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2{1|N<3>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7365	0.046	2	108.7537	0.010	15	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2{1|S<2>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7390	0.000	2	108.7537	0.010	15	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2{2|H<1>,4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7900	0.000	1	108.7537	0.010	15	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2{4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5580	0.000	1	108.7537	0.010	15	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2{5|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7960	0.000	1	108.7537	0.010	15	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5a]C[5])(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5a]C[5])(H)2{2|H<1>,5|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8363	0.123	4	108.8363	0.015	4	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5a]N[5])(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5a]N[5])(H)2{1|C<2>,1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2220	0.000	1	109.2220	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(H)2{2|H<1>,5|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.6350	1.553	4	109.6350	2.413	4	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(H)2{1|C<2>,1|C<4>,4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0445	0.059	2	108.9940	0.009	4	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(H)2{1|H<1>,5|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9435	0.115	2	108.9940	0.009	4	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]H)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9920	0.000	1	108.9920	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{1|C<2>,1|C<4>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9300	0.000	1	108.8570	1.281	25	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8090	0.000	1	108.8570	1.281	25	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5850	0.383	4	108.8570	1.281	25	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{1|C<4>,1|S<4>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7020	0.000	1	108.8570	1.281	25	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	110.0095	1.582	2	108.8570	1.281	25	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{1|H<1>,1|N<2>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5580	0.000	1	108.8570	1.281	25	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.5194	1.658	5	108.8570	1.281	25	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7140	0.000	1	108.8570	1.281	25	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{1|H<1>,4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	105.5870	0.000	1	108.8570	1.281	25	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{1|O<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6997	0.014	3	108.8570	1.281	25	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{2|C<3>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.2560	0.000	1	108.8570	1.281	25	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{2|H<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7837	0.087	3	108.8570	1.281	25	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{5|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.4640	0.000	1	108.8570	1.281	25	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]O[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]C)(H)2{1|O<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0610	0.000	1	109.0610	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2{1|C<4>,1|F<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0890	0.000	1	109.0304	0.289	21	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9374	0.424	8	109.0304	0.289	21	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2{1|C<4>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6940	0.000	1	109.0304	0.289	21	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7280	0.000	1	109.0304	0.289	21	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2{1|O<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	110.9640	0.000	1	109.0304	0.289	21	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2{2|C<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2180	0.000	1	109.0304	0.289	21	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8553	0.383	3	109.0304	0.289	21	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2{4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9760	0.126	5	109.0304	0.289	21	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]C)(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7240	0.000	1	108.8045	0.013	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]C)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8850	0.000	1	108.8045	0.013	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]O)(H)2{1|C<4>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8900	0.092	2	108.8900	0.008	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]O)(C[5]N[5]O)(H)2{1|H<1>,4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6900	0.000	1	108.9215	0.107	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]O)(C[5]N[5]O)(H)2{2|H<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1530	0.000	1	108.9215	0.107	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]P)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]P)(C[5]C[5]C)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0555	0.036	2	109.0555	0.001	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]C)(C[5]C[5]C)(H)2{1|O<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8120	0.000	1	108.8120	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]C)(C[5]C[5]H)(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	100.9040	0.000	1	100.9040	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(C[5]C[6a]N[5])(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]C)(C[5]C[6a]N[5])(H)2{1|S<4>,4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9137	0.068	3	108.9137	0.005	3	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(H)2{2|H<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9840	0.000	2	108.9570	0.002	3	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(H)2{4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9030	0.000	1	108.9570	0.002	3	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]H)(H)2{1|C<4>,1|S<4>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1710	0.000	1	109.1710	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]N[5])(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]N[5])(H)2{1|Fe<10>,2|C<4>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2850	0.000	1	109.2850	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]O)(H)2{1|O<2>,4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6230	0.000	1	108.6230	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]S)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]S)(H)2{1|S<4>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0920	0.000	1	109.0920	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5a]N[5])(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5a]N[5])(H)2{1|C<4>,4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.4040	0.000	1	109.2001	0.013	7	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5a]N[5])(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5a]N[5])(H)2{1|N<2>,4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1635	0.099	4	109.2001	0.013	7	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5a]N[5])(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5a]N[5])(H)2{1|O<2>,4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1750	0.000	1	109.2001	0.013	7	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5a]N[5])(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5a]N[5])(H)2{1|S<2>,4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1680	0.000	1	109.2001	0.013	7	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5])(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5])(H)2{1|S<4>,5|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0200	0.000	1	109.0200	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{1|C<4>,4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.3890	0.000	1	109.0340	0.483	132	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{1|H<1>,4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2744	0.121	5	109.0340	0.483	132	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{1|N<2>,4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2448	0.109	6	109.0340	0.483	132	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{5|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0104	0.724	120	109.0340	0.483	132	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]N[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]C)(H)2{3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.7074	4.092	12	107.7074	16.744	12	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]N[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]H)(H)2{1|S<4>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1340	0.000	1	109.2455	0.025	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]N[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]H)(H)2{3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.3570	0.000	1	109.2455	0.025	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2300	0.000	1	109.0182	0.013	10	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]O)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0181	0.062	8	109.0182	0.013	10	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]O)(H)2{3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8070	0.000	1	109.0182	0.013	10	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]N[5]S)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]S)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.6075	0.013	2	109.6075	0.000	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]N)(C[5]C[6a]N[5])(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]N)(C[5]C[6a]N[5])(H)2{5|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.4970	0.000	1	109.4970	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]O)(C[5]C[6a]N[5])(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]O)(C[5]C[6a]N[5])(H)2{5|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0877	0.038	4	109.0877	0.001	4	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]O)(C[5]N[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]O)(C[5]N[5]C)(H)2{3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9972	0.059	5	108.9972	0.003	5	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]O[5]C)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]C)(H)2{3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1830	0.000	1	109.1830	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]O[5]C)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]O)(H)2{3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9270	0.000	1	108.9270	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]O[5]C)(C[5]N[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]C)(C[5]N[5]C)(H)2{2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.4360	0.000	1	109.4360	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.3620	0.000	1	109.2363	0.049	3	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(H)2{1|O<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9800	0.000	1	109.2363	0.049	3	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(H)2{3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.3670	0.000	1	109.2363	0.049	3	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]H)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2430	0.000	1	109.2430	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]S)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]S)(H)2{3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.3410	0.000	1	109.3410	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[6a]N[5])(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]H)(C[5]C[6a]N[5])(H)2{4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.4235	0.078	4	109.4235	0.006	4	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]N[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]H)(C[5]N[5]C)(H)2{1|O<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0220	0.000	1	109.3540	0.088	3	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]N[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]H)(C[5]N[5]C)(H)2{2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.5200	0.103	2	109.3540	0.088	3	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]S[5]H)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]S[5]H)(C[5]C[5]C)(H)2{1|N<3>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.3680	0.032	3	108.3680	0.001	3	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]Ge[3x5]CH)(C[5]O[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]Ge[3x5]CH)(C[5]O[5]O)(H)2{2|N<3>,2|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.4610	0.000	1	107.4610	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]Ge[5]CC)(C[5]N[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]Ge[5]CC)(C[5]N[5]C)(H)2{1|Te<1>,1|Te<2>,1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.8430	0.413	2	107.8820	0.068	4	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]Ge[5]CC)(C[5]N[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]Ge[5]CC)(C[5]N[5]C)(H)2{2|Te<1>,1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.9210	0.170	2	107.8820	0.068	4	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5]CC)(C[5]N[5,5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5,5]CC)(C[5]N[5,5]O)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4715	0.170	2	108.0720	2.109	5	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5]CC)(C[5]N[5,5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5,5]CC)(C[5]N[5,5]O)(H)2{2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.8057	1.984	3	108.0720	2.109	5	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5]CH)(C[5]N[5,5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5,5]CH)(C[5]N[5,5]O)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7163	0.116	3	108.7272	0.009	4	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5]CH)(C[5]N[5,5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5,5]CH)(C[5]N[5,5]O)(H)2{2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7600	0.000	1	108.7272	0.009	4	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]C)(H)2{1|C<4>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9023	0.246	3	108.9023	0.060	3	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(H)2{1|C<4>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9234	0.379	7	108.9234	0.143	7	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5]HH)(C[5]C[5,5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5,5]HH)(C[5]C[5,5]C)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9534	0.287	5	108.9534	0.082	5	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5]HH)(C[5]N[5,5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5,5]HH)(C[5]N[5,5]O)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0033	0.089	6	108.9962	0.017	23	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5]HH)(C[5]N[5,5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5,5]HH)(C[5]N[5,5]O)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0210	0.000	1	108.9962	0.017	23	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5]HH)(C[5]N[5,5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5,5]HH)(C[5]N[5,5]O)(H)2{2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9920	0.150	16	108.9962	0.017	23	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]O)(H)2{4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5060	0.000	1	108.5060	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5a]HH)(C[5]C[5,5a]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5,5a]HH)(C[5]C[5,5a]C)(H)2{1|C<3>,1|N<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6140	0.000	1	108.6140	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5a]HH)(C[5]C[5,5a]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5,5a]HH)(C[5]C[5,5a]O)(H)2{2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6290	0.036	3	108.6290	0.001	3	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6]CC)(C[5]N[5,6]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5,6]CC)(C[5]N[5,6]O)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0290	0.068	2	109.0290	0.005	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6]CH)(C[5]C[5,6]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5,6]CH)(C[5]C[5,6]C)(H)2{2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.2570	1.208	2	108.2570	1.459	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6]CH)(C[5]C[5,6]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5,6]CH)(C[5]C[5,6]O)(H)2{1|S<2>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8840	0.000	1	108.8840	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6]CH)(C[5]C[5,6]S)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5,6]CH)(C[5]C[5,6]S)(H)2{2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1900	0.000	1	109.1900	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6]CH)(C[5]N[5,6]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5,6]CH)(C[5]N[5,6]O)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0030	0.000	1	107.1740	6.690	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6]CH)(C[5]N[5,6]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5,6]CH)(C[5]N[5,6]O)(H)2{2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	105.3450	0.000	1	107.1740	6.690	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6]C[6a]H)(C[5]N[5,6]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5,6]C[6a]H)(C[5]N[5,6]O)(H)2{1|C<4>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.5663	1.553	3	108.7912	2.956	5	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6]C[6a]H)(C[5]N[5,6]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5,6]C[6a]H)(C[5]N[5,6]O)(H)2{2|C<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.6285	1.580	2	108.7912	2.956	5	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6]HH)(C[5]C[5,6]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5,6]HH)(C[5]C[5,6]H)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0550	0.175	2	109.0550	0.031	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6]HH)(C[5]N[5,6]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5,6]HH)(C[5]N[5,6]O)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.3333	0.432	3	109.3333	0.187	3	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6a]HH)(C[5]C[5,6a]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5,6a]HH)(C[5]C[5,6a]C)(H)2{1|C<3>,1|N<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7800	0.047	2	108.7800	0.002	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5]CC)(C[5]C[5]C)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7820	0.000	1	108.7820	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(C[5]N[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5]CC)(C[5]N[5]C)(H)2{1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.3380	0.943	3	105.3521	12.432	5	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(C[5]N[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5]CC)(C[5]N[5]C)(H)2{1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	99.3424	0.000	1	105.3521	12.432	5	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(C[5]N[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5]CC)(C[5]N[5]C)(H)2{1|S<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	105.4040	0.000	1	105.3521	12.432	5	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5]CC)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1015	0.172	2	109.0990	0.021	5	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5]CC)(C[5]N[5]O)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0240	0.144	2	109.0990	0.021	5	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5]CC)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2440	0.000	1	109.0990	0.021	5	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5]CH)(C[5]C[5]C)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7410	0.000	1	108.7805	0.013	4	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5]CH)(C[5]C[5]C)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8610	0.000	1	108.7805	0.013	4	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5]CH)(C[5]C[5]C)(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7600	0.170	2	108.7805	0.013	4	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5]CH)(C[5]C[5]H)(H)2{1|C<4>,1|S<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	110.7350	0.000	1	110.7350	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(C[5]C[5]I)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5]CH)(C[5]C[5]I)(H)2{1|I<1>,1|S<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1160	0.000	1	109.1160	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5]CH)(C[5]C[5]O)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.4790	0.000	1	109.4790	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(C[5]N[5]Br)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5]CH)(C[5]N[5]Br)(H)2{1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.4990	0.021	2	109.4990	0.000	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(C[5]N[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5]CH)(C[5]N[5]C)(H)2{1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.9617	1.308	6	109.9617	1.711	6	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(C[5]N[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5]CH)(C[5]N[5]H)(H)2{1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.3810	0.000	1	109.3810	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5]CH)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0820	0.000	1	109.0494	0.021	11	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5]CH)(C[5]N[5]O)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9963	0.093	7	109.0494	0.021	11	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5]CH)(C[5]N[5]O)(H)2{1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0320	0.000	1	109.0494	0.021	11	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5]CH)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2275	0.275	2	109.0494	0.021	11	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CN)(C[5]N[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5]CN)(C[5]N[5]C)(H)2{1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9170	0.000	1	108.9170	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CO)(C[5]N[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5]CO)(C[5]N[5]C)(H)2{1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9955	0.080	4	108.9955	0.006	4	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]C[5]2)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5]HH)(C[5]C[5]2)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.8025	2.890	2	108.6832	2.781	5	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]C[5]2)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5]HH)(C[5]C[5]2)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0390	0.000	1	108.6832	2.781	5	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]C[5]2)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5]HH)(C[5]C[5]2)(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.6180	0.000	1	108.6832	2.781	5	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]C[5]2)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5]HH)(C[5]C[5]2)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1540	0.000	1	108.6832	2.781	5	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7360	0.000	1	108.4086	1.672	7	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	105.4910	0.000	1	108.4086	1.672	7	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8000	0.000	1	108.4086	1.672	7	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7810	0.000	1	108.4086	1.672	7	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(H)2{1|Pd<4>,1|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0820	0.000	1	108.4086	1.672	7	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(H)2{2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9850	0.028	2	108.4086	1.672	7	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5]HH)(C[5]C[5]H)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9760	0.000	1	109.8862	3.912	5	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5]HH)(C[5]C[5]H)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	110.6360	2.381	3	109.8862	3.912	5	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5]HH)(C[5]C[5]H)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5470	0.000	1	109.8862	3.912	5	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]C[5]I)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5]HH)(C[5]C[5]I)(H)2{1|C<3>,1|S<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2080	0.000	1	109.2080	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]C[5]N)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5]HH)(C[5]C[5]N)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2110	0.000	1	109.0588	0.013	4	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]C[5]N)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5]HH)(C[5]C[5]N)(H)2{1|C<3>,1|S<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9725	0.005	2	109.0588	0.013	4	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]C[5]N)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5]HH)(C[5]C[5]N)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0790	0.000	1	109.0588	0.013	4	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5]HH)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	111.0950	0.000	1	111.0950	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]N[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5]HH)(C[5]N[5]C)(H)2{1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	110.1886	1.509	7	110.1886	2.277	7	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]N[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5]HH)(C[5]N[5]H)(H)2{1|S<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.4670	0.000	1	102.0319	110.560	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]N[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5]HH)(C[5]N[5]H)(H)2{2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	94.5969	0.000	1	102.0319	110.560	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2540	0.129	3	109.1924	0.028	20	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8730	0.000	1	109.1924	0.028	20	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5]HH)(C[5]N[5]O)(H)2{1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1340	0.232	2	109.1924	0.028	20	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5]HH)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2373	0.163	8	109.1924	0.028	20	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5]HH)(C[5]N[5]O)(H)2{2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1745	0.157	6	109.1924	0.028	20	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]O[5]H)(C[5]N[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5]O[5]H)(C[5]N[5]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.8270	0.000	1	109.8270	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5a]N[5]H)(C[5]C[6a]C[5])(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5a]N[5]H)(C[5]C[6a]C[5])(H)2{1|H<1>,1|S<4>,4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7907	0.066	3	108.7907	0.004	3	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]CC)(C[5]B[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]O[5]CC)(C[5]B[5]C)(H)2{1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	104.4930	3.134	2	104.4930	9.821	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]CC)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]O[5]CC)(C[5]C[5]C)(H)2{1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.3130	0.000	1	109.3130	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]CC)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]O[5]CC)(C[5]C[5]O)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9180	0.246	2	108.9180	0.061	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]CC)(C[5]N[5]S)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]O[5]CC)(C[5]N[5]S)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.6230	0.000	1	109.6230	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]CH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(H)2{1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2605	0.012	2	109.1985	0.014	4	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]CH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(H)2{1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1365	0.159	2	109.1985	0.014	4	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]CH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]O[5]CH)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2470	0.908	4	109.2130	0.624	5	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]CH)(C[5]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]O[5]CH)(C[5]C[5]O)(H)2{2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0770	0.000	1	109.2130	0.624	5	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]CH)(C[5]C[5]P)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]O[5]CH)(C[5]C[5]P)(H)2{1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1645	0.047	2	109.1645	0.002	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]CO)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]O[5]CO)(C[5]C[5]C)(H)2{1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.4120	0.000	1	109.4120	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(C[5]B[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]O[5]HH)(C[5]B[5]C)(H)2{1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	106.4880	0.000	1	106.4880	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(C[5]C[5]2)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]O[5]HH)(C[5]C[5]2)(H)2{1|C<4>,1|O<1>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1205	0.025	2	109.1205	0.001	2	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]O[5]HH)(C[5]C[5]C)(H)2{1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2130	0.049	4	109.2623	3.610	15	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]O[5]HH)(C[5]C[5]C)(H)2{1|N<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	105.1950	0.000	1	109.2623	3.610	15	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]O[5]HH)(C[5]C[5]C)(H)2{1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.6888	1.890	10	109.2623	3.610	15	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]O[5]HH)(C[5]C[5]H)(H)2{1|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.3270	0.000	1	110.1533	21.213	20	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]O[5]HH)(C[5]C[5]H)(H)2{1|Ca<8>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	111.6000	0.000	1	110.1533	21.213	20	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]O[5]HH)(C[5]C[5]H)(H)2{1|Li<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	112.1955	4.976	2	110.1533	21.213	20	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]O[5]HH)(C[5]C[5]H)(H)2{1|Mg<5>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7640	0.000	1	110.1533	21.213	20	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]O[5]HH)(C[5]C[5]H)(H)2{1|Mg<6>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	122.1140	0.000	2	110.1533	21.213	20	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]O[5]HH)(C[5]C[5]H)(H)2{1|Si<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.7952	1.608	8	110.1533	21.213	20	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]O[5]HH)(C[5]C[5]H)(H)2{2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4788	0.793	5	110.1533	21.213	20	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(C[5]C[5]I)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]O[5]HH)(C[5]C[5]I)(H)2{1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2500	0.000	1	109.2500	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(C[5]P[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]O[5]HH)(C[5]P[5]C)(H)2{1|Mo<6>,1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7240	0.000	1	108.7240	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HO)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]O[5]HO)(C[5]C[5]C)(H)2{2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	106.4937	2.443	3	106.4937	5.971	3	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]P[5]HH)(C[5]B[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]P[5]HH)(C[5]B[5]O)(H)2{1|C<4>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.2930	0.199	5	108.2930	0.039	5	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]S[5]HH)(C[5]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]S[5]HH)(C[5]C[5]C)(H)2{1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4160	0.000	1	108.4160	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]Si[5]Si2)(C[5]C[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]Si[5]Si2)(C[5]C[5]H)(H)2{1|Si<4>,1|C<3>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	105.0240	0.000	1	105.0240	0.000	1	108.8317	1.963	2932	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5,6]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5,6]C[5,6]2)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](C[5]C[6a]N[5]H)(N[5,6]C[5,6]2)(H)2{1|Fe<10>,2|C<4>,3|C<3>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.4010	0.005	3	109.4010	0.000	3	109.4010	0.000	3	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3,5]HH)(N[5]C[4,5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[3,5]HH)(N[5]C[4,5]C)(H)2{4|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.6180	0.000	1	108.6180	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3]C[5]H)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[3]C[5]H)(N[5]C[5]C)(H)2{1|C<2>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.3800	0.000	1	108.3800	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3x5,6]HH)(N[5]C[3x5,6]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[3x5,6]HH)(N[5]C[3x5,6]C)(H)2{2|C<3>,2|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7630	0.000	1	108.7630	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3x5]HH)(N[5]C[3x5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[3x5]HH)(N[5]C[3x5]C)(H)2{1|C<3>,1|N<3>,2|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1623	0.022	3	109.1623	0.000	3	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3x5]HH)(N[5]C[3x5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[3x5]HH)(N[5]C[3x5]S)(H)2{1|C<4>,1|N<3>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9670	0.000	1	108.9670	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3x5]HH)(N[5]C[5,5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[3x5]HH)(N[5]C[5,5]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0920	0.000	1	109.0660	0.001	2	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3x5]HH)(N[5]C[5,5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[3x5]HH)(N[5]C[5,5]C)(H)2{1|C<4>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0400	0.000	1	109.0660	0.001	2	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[4,5,5,6]HH)(N[5]C[5,5,6]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[4,5,5,6]HH)(N[5]C[5,5,6]C)(H)2{4|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9390	0.000	1	108.9390	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[4,5]CC)(N[5]C[4,5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[4,5]CC)(N[5]C[4,5]C)(H)2{1|C<3>,1|C<4>,2|O<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	110.7884	2.427	5	110.7884	5.892	5	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[4,5]HH)(N[5]C[4,5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[4,5]HH)(N[5]C[4,5]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8440	0.000	1	108.8440	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6,6]HH)(N[5]C[5,5,6]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5,6,6]HH)(N[5]C[5,5,6]C)(H)2{4|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2500	0.000	1	109.2500	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]C[6a]H)(N[5]C[3x5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5,6]C[6a]H)(N[5]C[3x5]C)(H)2{2|C<4>,4|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.0027	1.855	6	108.0027	3.443	6	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(N[5]C[3x5,6]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5,6]HH)(N[5]C[3x5,6]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1900	0.000	1	109.1900	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(N[5]C[3x5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5,6]HH)(N[5]C[3x5]C)(H)2{2|C<3>,2|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.6220	0.000	1	108.6220	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5,6]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5,6]C)(H)2{1|C<3>,1|N<3>,2|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	110.8137	2.251	3	109.6844	2.808	7	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5,6]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5,6]C)(H)2{1|C<4>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8375	0.079	4	109.6844	2.808	7	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	107.2757	2.969	3	107.7067	6.621	4	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5]C)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0000	0.000	1	107.7067	6.621	4	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]C)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.5360	0.045	2	109.2195	0.654	6	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.3560	0.000	1	109.2195	0.654	6	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]C)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.6297	0.952	3	109.2195	0.654	6	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]S)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1910	0.000	1	109.0775	0.026	2	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]S)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9640	0.000	1	109.0775	0.026	2	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CC)(N[5]C[5,5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]CC)(N[5]C[5,5]C)(H)2{4|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8700	0.000	1	108.8700	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CC)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]CC)(N[5]C[5]C)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.4553	0.038	3	109.4553	0.001	3	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0780	0.000	1	108.9906	0.278	25	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2{1|S<2>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8094	0.044	9	108.9906	0.278	25	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1760	0.000	1	108.9906	0.278	25	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2{4|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0875	0.689	14	108.9906	0.278	25	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(N[5]C[5,5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]CH)(N[5]C[5,5]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8290	0.000	1	109.0305	0.024	4	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(N[5]C[5,5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]CH)(N[5]C[5,5]S)(H)2{1|C<3>,1|H<1>,2|N<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0977	0.091	3	109.0305	0.024	4	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]CH)(N[5]C[5]C)(H)2{1|C<4>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8363	0.126	3	108.8983	0.026	4	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]CH)(N[5]C[5]C)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0840	0.000	1	108.8983	0.026	4	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(N[5]C[5]O[5])(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]CH)(N[5]C[5]O[5])(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.5890	0.000	1	108.5890	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]CH)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1320	0.000	1	108.9903	0.018	6	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]CH)(N[5]C[5]S)(H)2{1|C<3>,1|N<2>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8740	0.112	2	108.9903	0.018	6	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]CH)(N[5]C[5]S)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0950	0.000	1	108.9903	0.018	6	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]CH)(N[5]C[5]S)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9835	0.146	2	108.9903	0.018	6	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C[5]H)(N[5]C[5,5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]C[5]H)(N[5]C[5,5]C)(H)2{1|Fe<10>,2|C<4>,4|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.6130	0.000	1	108.6130	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C[5a]H)(N[5]C[5,5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]C[5a]H)(N[5]C[5,5]S)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8115	0.028	2	108.8115	0.001	2	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a]C)(N[5]C[5,5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]C[6a]C)(N[5]C[5,5]C)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8640	0.000	1	108.8640	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8495	0.131	13	108.9388	0.034	46	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{1|H<1>,1|N<3>,4|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8820	0.000	1	108.9388	0.034	46	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{1|N<2>,5|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0270	0.000	1	108.9388	0.034	46	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{1|S<2>,5|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0848	0.094	20	108.9388	0.034	46	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{6|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7759	0.183	11	108.9388	0.034	46	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]S)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.2274	0.968	5	108.5170	0.869	7	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]S)(H)2{1|H<1>,1|N<3>,1|O<2>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2810	0.000	1	108.5170	0.869	7	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]S)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2010	0.000	1	108.5170	0.869	7	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|N<2>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1630	0.000	1	109.1630	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0765	0.067	2	109.0765	0.005	2	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]S)(H)2{1|O<1>,4|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1110	0.000	1	109.1110	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]ClC)(N[5]N[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]ClC)(N[5]N[5]C)(H)2{3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1590	0.112	2	109.1590	0.012	2	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[3x5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[3x5]C)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2620	0.027	2	109.1642	0.013	5	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[3x5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[3x5]C)(H)2{2|C<3>,2|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0990	0.098	3	109.1642	0.013	5	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2{1|Br<1>,1|C<3>,1|H<1>,1|N<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9910	0.000	1	108.4336	5.652	12	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2{1|C<3>,1|C<4>,1|F<1>,1|N<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8610	0.000	1	108.4336	5.652	12	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.0420	3.147	7	108.4336	5.652	12	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1900	0.000	1	108.4336	5.652	12	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1530	0.000	1	108.4336	5.652	12	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7140	0.000	1	108.4336	5.652	12	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]H)(H)2{1|C<2>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9510	0.000	2	108.9510	0.000	2	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]N)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]N)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.3820	0.000	1	109.3820	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0634	0.125	8	108.9729	0.031	14	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7560	0.066	3	108.9729	0.031	14	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1780	0.000	1	108.9729	0.031	14	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(H)2{1|C<3>,1|H<1>,2|N<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8620	0.000	1	108.9729	0.031	14	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(H)2{1|C<3>,1|N<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8060	0.000	1	108.9729	0.031	14	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0035	0.114	2	109.0035	0.009	4	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9200	0.000	1	109.0035	0.009	4	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(H)2{1|O<1>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0870	0.000	1	109.0035	0.009	4	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5]H)(H)2{1|N<2>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0900	0.000	1	109.1400	0.003	3	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5]H)(H)2{1|O<1>,2|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1650	0.042	2	109.1400	0.003	3	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5]S)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1520	0.000	1	109.0280	0.031	2	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9040	0.000	1	109.0280	0.031	2	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HO)(N[5]C[5,5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HO)(N[5]C[5,5]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1240	0.000	1	109.1240	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5a]C[6a]H)(N[5]C[5,5a]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5a]C[6a]H)(N[5]C[5,5a]S)(H)2{1|N<3>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.4430	0.000	1	108.4430	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6,6]HH)(N[5]C[5,6]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6,6]HH)(N[5]C[5,6]C)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.2180	0.000	1	108.2180	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CC)(N[5]C[5,6]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]CC)(N[5]C[5,6]S)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9420	0.233	2	108.9420	0.054	2	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CC)(N[5]N[5,6]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]CC)(N[5]N[5,6]C)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9930	0.000	1	108.9930	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(N[5]C[5,6]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]CH)(N[5]C[5,6]C)(H)2{1|Cr<9>,2|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	114.4140	0.000	1	114.4140	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(N[5]C[5,6]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]CH)(N[5]C[5,6]S)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2298	0.113	5	109.2225	0.011	6	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(N[5]C[5,6]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]CH)(N[5]C[5,6]S)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1860	0.000	1	109.2225	0.011	6	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]CH)(N[5]C[5]C)(H)2{1|O<1>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0820	0.000	1	109.0820	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0600	0.035	2	108.9755	0.011	6	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8970	0.093	3	108.9755	0.011	6	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0420	0.000	1	108.9755	0.011	6	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(N[5]N[5,6]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]CH)(N[5]N[5,6]H)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.4660	0.000	1	108.4660	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]C[4]H)(N[5]C[5,6]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]C[4]H)(N[5]C[5,6]C)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7280	0.000	1	108.7280	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]C[5a]H)(N[5]C[5,5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]C[5a]H)(N[5]C[5,5]C)(H)2{1|C<4>,1|O<2>,4|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9860	0.000	1	108.9860	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1003	0.205	43	109.1003	0.042	43	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C[6a])(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C[6a])(H)2{1|C<4>,7|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0030	0.000	1	109.0030	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C)(H)2{1|C<2>,1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9590	0.000	1	108.6825	0.023	10	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7240	0.184	2	108.6825	0.023	10	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.6311	0.109	7	108.6825	0.023	10	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C[6a])(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C[6a])(H)2{1|S<4>,2|H<1>,5|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8350	0.000	1	108.8350	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]O)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]O)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8280	0.000	1	108.8280	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]S)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7797	0.129	3	108.7797	0.017	3	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,5]C)(H)2{4|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8020	0.000	1	108.8020	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<2>,1|C<3>,2|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2330	0.000	1	108.6881	0.591	29	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1440	0.000	1	108.6881	0.591	29	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.4148	0.639	5	108.6881	0.591	29	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.5565	0.473	2	108.6881	0.591	29	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<3>,1|N<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.5330	0.437	2	108.6881	0.591	29	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9843	0.211	3	108.6881	0.591	29	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8893	0.125	4	108.6881	0.591	29	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1840	0.000	1	108.6881	0.591	29	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1820	0.000	1	108.6881	0.591	29	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9310	0.000	1	108.6881	0.591	29	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.1899	1.133	8	108.6881	0.591	29	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.4620	0.000	1	108.6150	0.047	2	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]H)(H)2{1|H<1>,1|S<2>,2|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7680	0.000	1	108.6150	0.047	2	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1550	0.000	1	108.9142	0.024	12	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0930	0.000	1	108.9142	0.024	12	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.6160	0.000	1	108.9142	0.024	12	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9895	0.023	2	108.9142	0.024	12	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2{1|C<4>,1|S<2>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9920	0.000	1	108.9142	0.024	12	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8470	0.000	1	108.9142	0.024	12	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8578	0.111	5	108.9142	0.024	12	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0832	0.079	5	109.0927	0.950	11	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	107.0160	0.000	1	109.0927	0.950	11	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2{1|C<4>,1|N<3>,1|O<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7900	0.000	1	109.0927	0.950	11	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8960	0.000	1	109.0927	0.950	11	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2{1|O<1>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9630	0.000	1	109.0927	0.950	11	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2{1|O<1>,2|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	110.4695	1.108	2	109.0927	0.950	11	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0947	0.178	3	108.2947	2.581	4	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5]H)(H)2{1|O<1>,2|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	105.8950	0.000	1	108.2947	2.581	4	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.7410	0.000	1	109.3057	0.145	3	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0880	0.074	2	109.3057	0.145	3	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HO)(N[5]C[5,6]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HO)(N[5]C[5,6]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2220	0.000	1	109.2220	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HO)(N[5]C[5,6]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HO)(N[5]C[5,6]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	110.0668	1.373	5	109.6854	1.368	8	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HO)(N[5]C[5,6]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HO)(N[5]C[5,6]S)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9500	0.000	1	109.6854	1.368	8	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HO)(N[5]C[5,6]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HO)(N[5]C[5,6]S)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0995	0.279	2	109.6854	1.368	8	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HS)(N[5]C[5,6]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HS)(N[5]C[5,6]C)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7810	0.000	1	108.7810	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(H)2{2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8288	0.097	5	108.8288	0.009	5	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(H)2{2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9760	0.000	1	108.9760	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(H)2{1|C<4>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8460	0.000	1	108.8460	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]S)(H)2{4|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.3770	0.000	1	108.3770	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]S)(H)2{4|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.6875	0.060	2	108.6875	0.004	2	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{1|C<3>,1|N<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7722	0.420	30	108.8159	0.197	59	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8611	0.470	29	108.8159	0.197	59	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]N)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]N)(H)2{2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1720	3.643	6	109.1720	13.271	6	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]P)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]P)(H)2{2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	105.0865	2.760	2	105.0865	7.617	2	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H)2{2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8091	0.113	11	108.8091	0.013	11	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]S)(H)2{2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	105.9860	0.000	1	105.9860	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]S)(H)2{2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1297	2.011	3	109.1297	4.044	3	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]HS)(N[5]C[5,6a]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]HS)(N[5]C[5,6a]S)(H)2{2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7400	0.000	1	108.7400	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]2H)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]2H)(N[5]C[5]C)(H)2{1|C<4>,2|O<2>,4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1370	0.110	2	109.1337	0.006	3	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]2H)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]2H)(N[5]C[5]C)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1270	0.000	1	109.1337	0.006	3	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]2H)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]2H)(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	110.6784	2.000	5	110.6784	3.999	5	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.4770	0.000	1	108.9606	0.193	16	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.4150	0.000	1	108.9606	0.193	16	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9425	0.049	2	108.9606	0.193	16	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9060	0.000	1	108.9606	0.193	16	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0125	0.081	2	108.9606	0.193	16	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	107.4440	0.000	1	108.9606	0.193	16	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9705	0.095	4	108.9606	0.193	16	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2{1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9730	0.000	1	108.9606	0.193	16	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2{1|S<4>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1325	0.035	2	108.9606	0.193	16	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2{2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0970	0.000	1	108.9606	0.193	16	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CC)(N[5]C[5]S)(H)2{1|C<2>,1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8860	0.183	3	108.9912	0.078	23	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CC)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7000	0.000	1	108.9912	0.078	23	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CC)(N[5]C[5]S)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1758	0.160	12	108.9912	0.078	23	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CC)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8325	0.195	4	108.9912	0.078	23	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CC)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8895	0.083	2	108.9912	0.078	23	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CC)(N[5]C[5]S)(H)2{1|O<2>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.2200	0.000	1	108.9912	0.078	23	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2{1|C<2>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	105.5110	0.000	1	109.7202	13.250	13	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0960	0.000	1	109.7202	13.250	13	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2{1|C<3>,1|H<1>,1|O<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8500	0.000	1	109.7202	13.250	13	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2170	0.000	1	109.7202	13.250	13	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.1200	0.000	1	109.7202	13.250	13	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2{1|C<4>,1|O<2>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	121.2950	0.000	1	109.7202	13.250	13	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2{1|H<1>,1|O<1>,1|S<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7930	0.000	1	109.7202	13.250	13	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2{1|O<1>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0950	0.000	1	109.7202	13.250	13	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2{1|O<2>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0440	0.095	3	109.7202	13.250	13	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	110.2130	0.000	1	109.7202	13.250	13	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2{1|S<6>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0400	0.000	1	109.7202	13.250	13	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]H)(H)2{1|C<3>,1|H<1>,1|O<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1270	0.065	2	109.1270	0.004	2	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]O)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]O)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8570	0.000	1	108.8570	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<2>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8490	0.000	1	109.1473	1.735	83	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9500	0.053	3	109.1473	1.735	83	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8805	0.220	2	109.1473	1.735	83	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1165	0.047	2	109.1473	1.735	83	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0345	0.186	2	109.1473	1.735	83	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2413	0.130	3	109.1473	1.735	83	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2127	0.107	21	109.1473	1.735	83	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2097	0.444	19	109.1473	1.735	83	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.3650	0.000	1	109.1473	1.735	83	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7695	0.049	2	109.1473	1.735	83	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7110	0.000	1	109.1473	1.735	83	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9458	0.146	9	109.1473	1.735	83	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2260	0.000	1	109.1473	1.735	83	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|N<2>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	105.0350	0.000	1	109.1473	1.735	83	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|N<3>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	110.4610	0.000	1	109.1473	1.735	83	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|O<1>,2|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9480	0.000	1	109.1473	1.735	83	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|O<1>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2180	0.000	1	109.1473	1.735	83	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|O<1>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	114.5380	0.000	1	109.1473	1.735	83	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|O<2>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2087	6.655	3	109.1473	1.735	83	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|Si<4>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1840	0.011	2	109.1473	1.735	83	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8310	0.000	1	109.1473	1.735	83	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1143	0.143	3	109.1473	1.735	83	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{2|Cl<1>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7850	0.041	2	109.1473	1.735	83	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]N[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]N[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.6970	0.000	1	108.6970	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CN)(N[5]C[5]2)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CN)(N[5]C[5]2)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9760	0.000	1	108.9760	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CN)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CN)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8970	0.000	1	108.8970	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CO)(N[5]C[5]2)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CO)(N[5]C[5]2)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1440	0.000	1	109.1440	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CO)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CO)(N[5]C[5]S)(H)2{1|Br<1>,1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7700	0.000	1	109.0715	0.182	2	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CO)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CO)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.3730	0.000	1	109.0715	0.182	2	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CS)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CS)(N[5]C[5]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7910	0.000	1	108.7910	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CS)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CS)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8240	0.000	1	108.8240	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C[6]H)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9530	0.000	1	108.9530	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]ClH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]ClH)(N[5]C[5]C)(H)2{1|C<2>,1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	111.0420	0.000	1	111.0420	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]FF)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]FF)(N[5]C[5]H)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9985	0.186	2	108.9985	0.035	2	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]FH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]FH)(N[5]C[5]C)(H)2{1|C<3>,1|F<1>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2890	0.219	3	109.2890	0.048	3	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]FH)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]FH)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1915	0.124	2	109.0250	0.091	3	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]FH)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]FH)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.6920	0.000	1	109.0250	0.091	3	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0047	0.011	3	108.9912	0.094	27	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2{1|C<3>,1|N<2>,4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0243	0.012	3	108.9912	0.094	27	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2{1|C<3>,1|O<2>,4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0890	0.000	1	108.9912	0.094	27	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2{1|C<4>,1|N<3>,4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0413	0.045	3	108.9912	0.094	27	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2{1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	107.5780	0.000	1	108.9912	0.094	27	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2{1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9553	0.139	6	108.9912	0.094	27	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2{1|Fe<10>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1170	0.000	1	108.9912	0.094	27	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2{1|N<2>,1|N<3>,4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1238	0.065	4	108.9912	0.094	27	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2{1|N<2>,1|O<2>,4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1545	0.145	2	108.9912	0.094	27	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2{2|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0320	0.000	1	108.9912	0.094	27	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2{3|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0995	0.336	2	108.9912	0.094	27	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]Al)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]Al)(H)2{1|N<3>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7867	0.141	3	108.7867	0.020	3	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|B<3>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1485	1.398	2	109.0213	1.881	875	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<2>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0800	0.000	1	109.0213	1.881	875	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8645	0.112	2	109.0213	1.881	875	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.3075	0.295	2	109.0213	1.881	875	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0623	0.157	6	109.0213	1.881	875	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.6910	0.000	1	109.0213	1.881	875	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|N<2>,1|N<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1250	0.000	1	109.0213	1.881	875	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	110.7205	2.521	2	109.0213	1.881	875	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0725	0.025	2	109.0213	1.881	875	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8436	0.404	11	109.0213	1.881	875	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9753	1.429	245	109.0213	1.881	875	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0520	0.066	4	109.0213	1.881	875	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|S<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9745	0.049	2	109.0213	1.881	875	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9140	0.000	1	109.0213	1.881	875	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|N<3>,1|O<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0115	0.004	2	109.0213	1.881	875	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1680	0.000	1	109.0213	1.881	875	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9368	1.205	69	109.0213	1.881	875	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|Cl<1>,1|C<4>,1|O<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0810	0.000	1	109.0213	1.881	875	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9990	0.000	1	109.0213	1.881	875	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	111.7490	0.000	1	109.0213	1.881	875	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|N<2>,1|O<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7700	0.000	1	109.0213	1.881	875	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|N<2>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	132.3880	0.000	1	109.0213	1.881	875	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|N<2>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	110.0180	0.000	1	109.0213	1.881	875	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|N<3>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0360	0.069	2	109.0213	1.881	875	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|N<4>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0650	0.000	1	109.0213	1.881	875	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|O<1>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0380	0.260	4	109.0213	1.881	875	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|O<1>,2|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8680	0.270	3	109.0213	1.881	875	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|O<1>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0007	0.544	140	109.0213	1.881	875	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|O<1>,2|I<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1020	0.000	1	109.0213	1.881	875	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|O<2>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9873	0.227	12	109.0213	1.881	875	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|O<2>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.5618	1.130	6	109.0213	1.881	875	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|P<4>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9940	0.000	1	109.0213	1.881	875	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|Pd<4>,1|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9010	0.000	1	109.0213	1.881	875	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|S<4>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1570	0.000	1	109.0213	1.881	875	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|Si<4>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.2710	0.945	2	109.0213	1.881	875	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|U<12>,1|O<2>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0825	0.169	6	109.0213	1.881	875	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{2|Br<1>,1|H<1>,1|O<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1160	0.000	1	109.0213	1.881	875	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1743	0.446	13	109.0213	1.881	875	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9330	0.000	1	109.0213	1.881	875	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	110.9667	2.917	4	109.0213	1.881	875	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9540	1.094	316	109.0213	1.881	875	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]Cr)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]Cr)(H)2{1|N<3>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8750	0.000	1	108.8750	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]Cu)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]Cu)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7189	0.156	7	108.7189	0.024	7	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2{1|C<3>,1|F<1>,1|O<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	105.6080	0.000	1	108.7339	1.824	65	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8815	0.139	2	108.7339	1.824	65	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.5525	0.333	2	108.7339	1.824	65	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8113	0.563	3	108.7339	1.824	65	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7536	0.382	8	108.7339	1.824	65	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8732	0.346	4	108.7339	1.824	65	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2{1|Cr<6>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2310	0.000	1	108.7339	1.824	65	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2{1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0430	0.000	1	108.7339	1.824	65	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2{1|O<1>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2980	0.000	1	108.7339	1.824	65	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2{1|O<1>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.3267	1.817	12	108.7339	1.824	65	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2{1|Si<4>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	113.9310	0.000	1	108.7339	1.824	65	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2{4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.3397	1.068	29	108.7339	1.824	65	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]Mo)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]Mo)(H)2{3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8200	0.000	1	108.8200	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.3030	0.000	1	109.3939	0.863	20	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.4647	1.266	10	109.3939	0.863	20	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2{4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.3253	0.485	9	109.3939	0.863	20	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]Ni)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]Ni)(H)2{3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8695	0.016	2	109.0817	0.066	4	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]Ni)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]Ni)(H)2{4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2940	0.133	2	109.0817	0.066	4	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]O)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]O)(H)2{1|C<4>,1|P<4>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	106.2890	0.000	1	107.6040	3.458	2	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]O)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]O)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9190	0.000	1	107.6040	3.458	2	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2{4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2637	1.058	43	109.2637	1.120	43	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]Pt)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]Pt)(H)2{1|O<2>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.3575	0.169	4	109.3575	0.029	4	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]Rh)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]Rh)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9200	0.000	1	108.7987	0.014	4	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]Rh)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]Rh)(H)2{1|O<2>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7583	0.106	3	108.7987	0.014	4	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|Br<1>,1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1420	0.000	1	109.0585	0.040	78	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9190	0.000	1	109.0585	0.040	78	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2638	0.181	6	109.0585	0.040	78	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2390	0.000	1	109.0585	0.040	78	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<3>,1|I<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8050	0.000	1	109.0585	0.040	78	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.3695	0.209	2	109.0585	0.040	78	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0511	0.215	28	109.0585	0.040	78	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1760	0.075	2	109.0585	0.040	78	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1340	0.008	2	109.0585	0.040	78	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.6940	0.000	2	109.0585	0.040	78	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9898	0.168	16	109.0585	0.040	78	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|O<2>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0915	0.008	2	109.0585	0.040	78	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1230	0.047	2	109.0585	0.040	78	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0618	0.174	4	109.0585	0.040	78	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0230	0.126	8	109.0585	0.040	78	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]Si)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]Si)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0315	0.217	2	109.0315	0.047	2	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]Ti)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]Ti)(H)2{1|N<3>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.6993	0.386	12	108.6993	0.149	12	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]W)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]W)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7810	0.000	1	108.7543	0.775	6	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]W)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]W)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.4410	0.093	2	108.7543	0.775	6	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]W)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]W)(H)2{3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.5290	0.000	1	108.7543	0.775	6	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]W)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]W)(H)2{4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.6670	1.748	2	108.7543	0.775	6	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2{1|C<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1410	0.000	1	109.4363	4.416	27	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2200	0.000	1	109.4363	4.416	27	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	112.0060	0.000	1	109.4363	4.416	27	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7430	0.140	2	109.4363	4.416	27	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	110.7910	4.251	6	109.4363	4.416	27	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2{1|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2030	0.000	1	109.4363	4.416	27	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9036	0.312	5	109.4363	4.416	27	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7949	0.142	9	109.4363	4.416	27	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2{1|O<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.3050	0.000	1	109.4363	4.416	27	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]N[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]N[5]S)(H)2{1|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2160	0.000	1	109.2160	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]O[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]O[5]C)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.4810	0.000	1	108.4810	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]P[5]P)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]P[5]P)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.5230	0.000	1	108.5230	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HI)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HI)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0600	0.000	1	109.0600	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HN)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HN)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	110.2150	2.341	2	109.2646	1.330	10	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HN)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HN)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2350	0.000	1	109.2646	1.330	10	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HN)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HN)(N[5]C[5]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7984	0.921	5	109.2646	1.330	10	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HN)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HN)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.4945	0.308	2	109.2646	1.330	10	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HN)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HN)(N[5]C[5]H)(H)2{1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	106.6130	1.580	2	106.6130	2.495	2	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HN)(N[5]C[5]P)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HN)(N[5]C[5]P)(H)2{1|Ru<9>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.5400	0.000	1	108.5400	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HN)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HN)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.2360	6.797	2	108.2360	46.195	2	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]2)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]2)(H)2{1|F<1>,2|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.3370	0.000	1	109.3370	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<3>,1|F<1>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1607	0.157	3	109.1390	0.751	74	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.8600	0.000	1	109.1390	0.751	74	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0673	0.087	4	109.1390	0.751	74	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1534	1.105	45	109.1390	0.751	74	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8620	0.000	1	109.1390	0.751	74	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8430	0.000	1	109.1390	0.751	74	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1180	0.055	3	109.1390	0.751	74	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|O<1>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0646	0.117	5	109.1390	0.751	74	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|O<2>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1296	0.154	9	109.1390	0.751	74	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2030	0.000	1	109.1390	0.751	74	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0210	0.000	1	109.1390	0.751	74	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1740	0.000	1	109.1740	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2{1|Br<1>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9450	0.000	1	108.1733	21.068	10	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	112.0680	0.000	1	108.1733	21.068	10	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1450	0.000	1	108.1733	21.068	10	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	105.7374	8.672	3	108.1733	21.068	10	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1815	0.264	2	108.1733	21.068	10	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.0000	1.594	2	108.1733	21.068	10	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]N[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]N[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7450	0.000	1	108.7450	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HP)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HP)(N[5]C[5]C)(H)2{4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1120	0.000	1	109.1120	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HS)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HS)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.3120	0.000	1	109.1085	0.083	2	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HS)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HS)(N[5]C[5]C)(H)2{4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9050	0.000	1	109.1085	0.083	2	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HS)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HS)(N[5]C[5]H)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.4290	0.000	1	108.4290	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]SiH)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]SiH)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0360	0.000	1	109.0677	0.001	3	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]SiH)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]SiH)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0835	0.019	2	109.0677	0.001	3	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(N[5]C[5,5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5a]C[5]H)(N[5]C[5,5]C)(H)2{1|C<2>,1|S<2>,4|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.6580	0.000	1	108.7610	0.021	2	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(N[5]C[5,5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5a]C[5]H)(N[5]C[5,5]C)(H)2{1|H<1>,1|O<2>,4|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8640	0.000	1	108.7610	0.021	2	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6]O[5]C)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6]O[5]C)(N[5]C[5]S)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1930	0.000	1	109.1930	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]2C[5])(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]2C[5])(N[5]C[5]C)(H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8077	0.109	3	108.8077	0.012	3	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]2C[5])(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]2C[5])(N[5]C[5]S)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9510	0.000	1	108.9215	0.002	2	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]2C[5])(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]2C[5])(N[5]C[5]S)(H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8920	0.000	1	108.9215	0.002	2	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]2N[5])(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]2N[5])(N[5]C[5]S)(H)2{1|N<3>,4|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0410	0.000	1	109.0410	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]2N[5])(N[5]C[6a]C[5])(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]2N[5])(N[5]C[6a]C[5])(H)2{1|H<1>,7|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0770	0.110	2	109.0770	0.012	2	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]C)(N[5]C[5]S)(H)2{1|C<2>,1|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9980	0.000	1	109.0430	0.004	2	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]C)(N[5]C[5]S)(H)2{2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0880	0.000	1	109.0430	0.004	2	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[4,5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[4,5]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2030	0.064	2	109.2030	0.004	2	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|Br<1>,1|N<3>,4|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7420	0.000	1	108.9563	0.042	32	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|C<2>,5|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8867	0.191	3	108.9563	0.042	32	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|C<4>,1|N<3>,4|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0375	0.039	4	108.9563	0.042	32	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8967	0.162	10	108.9563	0.042	32	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|H<1>,1|N<3>,4|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9760	0.348	2	108.9563	0.042	32	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|H<1>,5|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0459	0.235	11	108.9563	0.042	32	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|N<3>,5|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.6250	0.000	1	108.9563	0.042	32	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2250	0.000	1	109.2250	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9030	0.000	1	108.8850	0.004	3	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(H)2{1|Se<1>,2|C<3>,2|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8760	0.088	2	108.8850	0.004	3	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(H)2{1|C<4>,1|O<1>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2310	0.000	1	108.8497	0.490	6	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0830	0.000	1	108.8497	0.490	6	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(H)2{1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1985	0.066	2	108.8497	0.490	6	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(H)2{1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	107.4380	0.000	1	108.8497	0.490	6	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(H)2{1|O<1>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9490	0.000	1	108.8497	0.490	6	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7530	0.000	1	109.0870	0.066	10	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0280	0.000	1	109.0870	0.066	10	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8060	0.000	1	109.0870	0.066	10	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2{1|N<2>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7610	0.000	1	109.0870	0.066	10	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2{1|O<1>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9770	0.000	1	109.0870	0.066	10	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2{1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.3725	0.139	2	109.0870	0.066	10	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2{1|Si<4>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2410	0.000	1	109.0870	0.066	10	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2{2|C<3>,4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.3140	0.000	1	109.0870	0.066	10	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2{3|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2450	0.000	1	109.0870	0.066	10	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(H)2{1|H<1>,1|O<1>,5|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.3140	0.000	1	109.1410	0.060	2	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(H)2{3|H<1>,5|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9680	0.000	1	109.1410	0.060	2	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]O)(N[5]C[5]S)(H)2{3|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9783	0.309	3	108.9783	0.096	3	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(H)2{1|S<3>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0735	0.159	2	109.0735	0.025	2	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]N[5]C)(N[5]C[5]H)(H)2{1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1140	0.000	1	109.1140	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(N[5]C[6a]C[5])(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]N[5]C)(N[5]C[6a]C[5])(H)2{1|O<1>,1|S<4>,4|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8570	0.000	1	108.8570	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(H)2{1|Pd<4>,1|C<4>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.4480	0.146	2	109.1225	0.098	6	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(H)2{1|Ru<5>,1|C<4>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0680	0.163	2	109.1225	0.098	6	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(H)2{1|S<3>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.6520	0.000	1	109.1225	0.098	6	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(H)2{4|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0510	0.000	1	109.1225	0.098	6	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C[6])(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C[6])(H)2{1|Pt<4>,1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0267	0.150	4	109.0267	0.023	4	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]S)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2970	0.000	1	109.1670	0.039	6	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.3980	0.000	1	109.1670	0.039	6	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]S)(H)2{1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2070	0.081	2	109.1670	0.039	6	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]S)(H)2{1|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8590	0.000	1	109.1670	0.039	6	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]S)(H)2{3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0340	0.000	1	109.1670	0.039	6	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(H)2{1|H<1>,5|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0332	0.138	5	109.0503	0.028	7	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(H)2{1|Pd<4>,5|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.3040	0.000	1	109.0503	0.028	7	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(H)2{1|Pt<4>,5|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8820	0.000	1	109.0503	0.028	7	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(N[5]S[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]N[5]H)(N[5]S[5]C)(H)2{1|C<4>,2|C<3>,2|O<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9020	0.000	1	108.9020	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]O[5]C)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]O[5]C)(N[5]C[5]C)(H)2{1|N<2>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.3090	0.000	1	109.3090	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]O[5]C)(N[5]P[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]O[5]C)(N[5]P[5]C)(H)2{1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7440	0.000	1	108.7440	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1810	0.000	1	109.0630	0.028	3	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0040	0.188	2	109.0630	0.028	3	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]C[5]Re)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]Re)(H)2{3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9250	0.000	1	108.9250	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1170	0.000	1	109.0705	0.004	2	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]S)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0240	0.000	1	109.0705	0.004	2	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]S[5]H)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]S[5]H)(N[5]C[5]C)(H)2{1|N<2>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.5238	0.169	4	108.5238	0.029	4	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]S[5]H)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]S[5]H)(N[5]C[5]H)(H)2{1|S<1>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	106.8470	0.000	1	106.8470	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]S[5]H)(N[5]C[5]N)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]S[5]H)(N[5]C[5]N)(H)2{1|N<3>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7138	0.089	4	108.7138	0.008	4	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]S[5]H)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]S[5]H)(N[5]C[5]S)(H)2{1|N<2>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9140	0.000	1	108.9140	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[3x5]HH)(N[5]In[3x5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[3x5]HH)(N[5]In[3x5]S)(H)2{1|Cl<1>,2|C<4>,3|N<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.4245	0.040	2	109.4245	0.002	2	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[3x5]HH)(N[5]P[3x5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[3x5]HH)(N[5]P[3x5]C)(H)2{1|H<1>,2|C<4>,2|N<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7258	0.050	5	108.6217	0.013	11	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[3x5]HH)(N[5]P[3x5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[3x5]HH)(N[5]P[3x5]C)(H)2{1|N<2>,2|C<4>,2|N<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.5350	0.069	6	108.6217	0.013	11	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1115	0.146	2	109.1115	0.021	2	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5]HH)(N[5]C[5,5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,5]HH)(N[5]C[5,5]C)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9700	0.000	1	108.8849	1.304	10	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5]HH)(N[5]C[5,5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,5]HH)(N[5]C[5,5]C)(H)2{1|C<3>,1|N<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0720	0.835	3	108.8849	1.304	10	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5]HH)(N[5]C[5,5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,5]HH)(N[5]C[5,5]C)(H)2{1|C<4>,1|N<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.3130	0.025	2	108.8849	1.304	10	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5]HH)(N[5]C[5,5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,5]HH)(N[5]C[5,5]C)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.5093	1.760	4	108.8849	1.304	10	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5]HH)(N[5]C[5,5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,5]HH)(N[5]C[5,5]H)(H)2{1|B<4>,1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	107.7610	2.321	2	108.5314	1.148	9	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5]HH)(N[5]C[5,5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,5]HH)(N[5]C[5,5]H)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0130	0.000	1	108.5314	1.148	9	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5]HH)(N[5]C[5,5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,5]HH)(N[5]C[5,5]H)(H)2{1|C<4>,1|N<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.6452	0.720	5	108.5314	1.148	9	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5]HH)(N[5]C[5,5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,5]HH)(N[5]C[5,5]H)(H)2{2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0220	0.000	1	108.5314	1.148	9	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5]HH)(N[5]C[5,5]Zn)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,5]HH)(N[5]C[5,5]Zn)(H)2{1|C<4>,1|N<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0617	0.106	4	109.0060	0.024	5	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5]HH)(N[5]C[5,5]Zn)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,5]HH)(N[5]C[5,5]Zn)(H)2{1|C<4>,1|N<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7830	0.000	1	109.0060	0.024	5	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5]HH)(N[5]In[5,5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,5]HH)(N[5]In[5,5]S)(H)2{1|N<3>,3|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.5580	0.000	1	109.5580	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5a]C[6a]H)(N[5]C[5,5a]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,5a]C[6a]H)(N[5]C[5,5a]S)(H)2{1|N<2>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8330	0.000	1	108.7100	0.008	4	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5a]C[6a]H)(N[5]C[5,5a]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,5a]C[6a]H)(N[5]C[5,5a]S)(H)2{4|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.6690	0.049	3	108.7100	0.008	4	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5a]HH)(N[5]C[5,5a]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,5a]HH)(N[5]C[5,5a]C)(H)2{1|C<3>,1|N<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8995	0.043	2	108.8995	0.002	2	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5a]HH)(N[5]C[5,5a]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,5a]HH)(N[5]C[5,5a]H)(H)2{2|N<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9140	0.000	1	108.9140	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5a]HH)(N[5]C[5,5a]N)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,5a]HH)(N[5]C[5,5a]N)(H)2{2|N<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	113.1280	0.000	1	113.1280	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6]CH)(N[5]C[5,6]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6]CH)(N[5]C[5,6]C)(H)2{1|B<4>,1|O<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0790	0.000	1	109.0790	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6]CH)(N[5]C[5,6]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6]CH)(N[5]C[5,6]S)(H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7010	0.000	1	108.7010	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6]C[6a]H)(N[5]C[5,6]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6]C[6a]H)(N[5]C[5,6]S)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9980	0.000	1	108.9980	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9061	0.138	7	108.3751	1.122	12	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<3>,1|N<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	106.7930	0.000	2	108.3751	1.122	12	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<4>,1|N<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	107.7880	2.042	2	108.3751	1.122	12	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<4>,1|N<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9960	0.000	1	108.3751	1.122	12	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6]HH)(N[5]C[5,6]Fe)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6]HH)(N[5]C[5,6]Fe)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7770	0.000	1	108.7770	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.4232	1.695	5	109.0898	4.515	20	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2{1|C<3>,1|N<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	110.9050	0.000	2	109.0898	4.515	20	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.3220	8.081	2	109.0898	4.515	20	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2{2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0205	0.052	11	109.0898	4.515	20	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6]HH)(N[5]P[5,6]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6]HH)(N[5]P[5,6]C)(H)2{1|C<4>,1|O<1>,1|O<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.6700	0.000	1	108.6700	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6a]CH)(N[5]C[5,6a]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6a]CH)(N[5]C[5,6a]C)(H)2{2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	112.1610	0.000	1	112.1610	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6a]HH)(N[5]C[5,6a]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6a]HH)(N[5]C[5,6a]C)(H)2{2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7940	0.000	1	108.7940	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6a]HH)(N[5]C[5,6a]Cu)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6a]HH)(N[5]C[5,6a]Cu)(H)2{2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.5490	0.000	1	108.5490	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6a]HH)(N[5]C[5,6a]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5,6a]HH)(N[5]C[5,6a]H)(H)2{2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	105.5070	0.000	1	105.5070	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]CH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2090	0.000	1	109.8669	3.348	7	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]CH)(N[5]C[5]C)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0480	0.000	1	109.8669	3.348	7	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]CH)(N[5]C[5]C)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2937	0.212	3	109.8669	3.348	7	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]CH)(N[5]C[5]C)(H)2{1|O<1>,1|S<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9350	0.000	1	109.8669	3.348	7	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]CH)(N[5]C[5]C)(H)2{1|Pd<4>,1|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	113.9950	0.000	1	109.8669	3.348	7	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]CH)(N[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7080	0.021	2	109.0396	0.057	7	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]CH)(N[5]C[5]H)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2960	0.000	1	109.0396	0.057	7	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]CH)(N[5]C[5]H)(H)2{1|C<3>,1|N<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1710	0.000	1	109.0396	0.057	7	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]CH)(N[5]C[5]H)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1295	0.127	2	109.0396	0.057	7	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]CH)(N[5]C[5]H)(H)2{1|H<1>,1|N<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1350	0.000	1	109.0396	0.057	7	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]C[5]N)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]CH)(N[5]C[5]N)(H)2{1|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.3100	0.020	2	109.3100	0.000	2	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]C[5]O)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]CH)(N[5]C[5]O)(H)2{1|O<1>,1|O<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.3910	0.164	3	109.3910	0.027	3	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(N[5]S[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]CH)(N[5]S[5]C)(H)2{1|H<1>,2|O<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	106.9990	0.000	1	106.9990	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CO)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]CO)(N[5]C[5]S)(H)2{1|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1020	0.000	1	109.1020	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]B[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]B[5]C)(H)2{1|B<3>,1|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9245	0.040	4	108.8949	0.004	12	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]B[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]B[5]C)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8635	0.066	6	108.8949	0.004	12	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]B[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]B[5]C)(H)2{1|Pt<4>,1|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9300	0.016	2	108.8949	0.004	12	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]2)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]2)(H)2{1|C<4>,1|H<1>,1|N<2>,1|S<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7600	0.000	1	109.8166	2.139	7	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]2)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]2)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1380	0.091	2	109.8166	2.139	7	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]2)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]2)(H)2{1|H<1>,1|S<1>,2|N<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	111.9620	0.000	1	109.8166	2.139	7	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]2)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]2)(H)2{1|Pd<4>,2|C<3>,2|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8925	0.016	2	109.8166	2.139	7	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]2)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]2)(H)2{1|S<1>,2|N<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	111.9330	0.000	1	109.8166	2.139	7	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Al<4>,1|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1195	0.074	2	109.1697	0.440	383	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|B<4>,1|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2120	0.000	1	109.1697	0.440	383	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9351	0.139	16	109.1697	0.440	383	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0697	0.104	10	109.1697	0.440	383	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0409	0.107	15	109.1697	0.440	383	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|N<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0472	0.105	5	109.1697	0.440	383	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|N<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1390	0.000	1	109.1697	0.440	383	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0483	0.234	7	109.1697	0.440	383	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|S<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2488	0.103	4	109.1697	0.440	383	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|U<8>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1040	0.000	1	109.1697	0.440	383	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9080	0.076	5	109.1697	0.440	383	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9790	0.000	1	109.1697	0.440	383	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2130	0.000	1	109.1697	0.440	383	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1074	0.125	17	109.1697	0.440	383	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|N<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1569	0.146	43	109.1697	0.440	383	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|N<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1483	0.131	44	109.1697	0.440	383	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1537	0.222	6	109.1697	0.440	383	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|O<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1153	0.107	4	109.1697	0.440	383	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|P<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9640	2.210	4	109.1697	0.440	383	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|P<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.7580	2.105	10	109.1697	0.440	383	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|P<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0817	0.108	12	109.1697	0.440	383	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|P<6>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.6040	1.107	12	109.1697	0.440	383	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|S<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0800	0.119	8	109.1697	0.440	383	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,2|F<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.5020	0.000	1	109.1697	0.440	383	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.6008	1.774	12	109.1697	0.440	383	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Cl<1>,1|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9210	0.000	1	109.1697	0.440	383	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Ga<4>,1|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.3060	0.032	3	109.1697	0.440	383	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|H<1>,1|N<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.5611	1.235	8	109.1697	0.440	383	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|H<1>,1|N<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1300	0.000	1	109.1697	0.440	383	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9796	0.104	5	109.1697	0.440	383	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|H<1>,1|S<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	111.8700	0.000	1	109.1697	0.440	383	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|H<1>,1|S<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0676	0.077	16	109.1697	0.440	383	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0650	0.126	4	109.1697	0.440	383	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.9775	1.101	2	109.1697	0.440	383	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Ir<4>,1|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1937	0.036	3	109.1697	0.440	383	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Ir<6>,1|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0380	0.000	1	109.1697	0.440	383	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Ir<6>,1|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1050	0.087	3	109.1697	0.440	383	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Mg<6>,1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9120	0.000	1	109.1697	0.440	383	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|N<2>,1|S<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9750	0.000	1	109.1697	0.440	383	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|N<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	113.6390	0.000	1	109.1697	0.440	383	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Ni<2>,1|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.4235	0.144	2	109.1697	0.440	383	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Ni<4>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.6930	0.035	2	109.1697	0.440	383	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Ni<4>,1|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1530	0.044	4	109.1697	0.440	383	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|O<1>,1|S<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9838	0.036	4	109.1697	0.440	383	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Pd<4>,1|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2235	0.186	4	109.1697	0.440	383	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Pd<4>,1|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2700	0.459	25	109.1697	0.440	383	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Pt<4>,1|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1859	0.085	10	109.1697	0.440	383	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Pt<6>,1|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1885	0.029	2	109.1697	0.440	383	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Re<5>,1|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2250	0.000	1	109.1697	0.440	383	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Ru<5>,1|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1588	0.173	5	109.1697	0.440	383	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Ru<6>,1|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.3000	0.000	1	109.1697	0.440	383	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Ru<8>,1|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.3945	0.082	4	109.1697	0.440	383	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Ru<9>,1|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2050	0.000	1	109.1697	0.440	383	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Ru<9>,1|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1885	0.120	8	109.1697	0.440	383	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Se<2>,1|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8985	0.209	2	109.1697	0.440	383	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Si<5>,1|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1540	0.017	2	109.1697	0.440	383	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|W<6>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2720	0.000	1	109.1697	0.440	383	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Zn<4>,1|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2510	0.000	1	109.1697	0.440	383	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Zn<4>,1|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1980	0.102	2	109.1697	0.440	383	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2788	0.228	5	109.1697	0.440	383	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{2|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1450	0.121	4	109.1697	0.440	383	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]Co)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]Co)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7555	0.069	8	108.7555	0.005	8	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]Cu)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]Cu)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9650	0.000	1	108.9650	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]Fe)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]Fe)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	106.2052	4.001	5	102.6797	87.384	6	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]Fe)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]Fe)(H)2{1|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	85.0522	0.000	1	102.6797	87.384	6	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9822	0.247	10	109.1801	2.393	316	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1710	0.072	12	109.1801	2.393	316	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1560	0.685	54	109.1801	2.393	316	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<3>,1|N<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	106.6857	3.746	3	109.1801	2.393	316	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1030	0.000	1	109.1801	2.393	316	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<3>,1|S<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	113.6335	3.884	2	109.1801	2.393	316	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<3>,1|S<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1983	0.065	6	109.1801	2.393	316	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2958	1.282	18	109.1801	2.393	316	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.3208	0.208	12	109.1801	2.393	316	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<4>,1|N<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1547	0.047	6	109.1801	2.393	316	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<4>,1|N<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1310	0.000	1	109.1801	2.393	316	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.1285	2.007	4	109.1801	2.393	316	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<4>,1|S<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	112.2200	0.000	1	109.1801	2.393	316	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<4>,1|S<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2078	0.067	19	109.1801	2.393	316	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	110.8055	2.469	2	109.1801	2.393	316	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Co<4>,1|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2592	0.089	5	109.1801	2.393	316	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Co<6>,1|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2620	0.000	1	109.1801	2.393	316	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Cu<4>,1|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.3370	0.000	1	109.1801	2.393	316	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Cu<5>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.6757	0.031	3	109.1801	2.393	316	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Fe<6>,1|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	106.0607	8.358	5	109.1801	2.393	316	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|H<1>,1|N<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7834	2.222	10	109.1801	2.393	316	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|H<1>,1|N<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7502	3.176	9	109.1801	2.393	316	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.3664	0.737	41	109.1801	2.393	316	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|H<1>,1|O<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	110.3110	5.848	2	109.1801	2.393	316	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|H<1>,1|S<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1627	0.063	6	109.1801	2.393	316	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|H<1>,1|S<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2493	0.116	16	109.1801	2.393	316	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|H<1>,1|S<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2213	0.113	3	109.1801	2.393	316	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Ir<8>,1|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1850	0.000	1	109.1801	2.393	316	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Mn<5>,1|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.3030	0.185	2	109.1801	2.393	316	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Mn<6>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.6125	0.037	2	109.1801	2.393	316	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Mn<6>,1|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2220	0.147	2	109.1801	2.393	316	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Mn<6>,1|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2500	0.071	4	109.1801	2.393	316	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|N<2>,1|N<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9400	0.000	1	109.1801	2.393	316	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|N<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1393	0.209	3	109.1801	2.393	316	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|N<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1600	0.179	4	109.1801	2.393	316	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Ni<6>,1|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2547	0.034	3	109.1801	2.393	316	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|O<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	113.3940	0.000	1	109.1801	2.393	316	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Os<9>,1|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0950	0.000	1	109.1801	2.393	316	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Pd<4>,1|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	110.0877	3.231	3	109.1801	2.393	316	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Pt<4>,1|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2610	0.027	3	109.1801	2.393	316	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Re<5>,1|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.3580	0.000	1	109.1801	2.393	316	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Re<5>,1|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2100	0.049	2	109.1801	2.393	316	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Re<6>,1|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2040	0.000	1	109.1801	2.393	316	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Re<6>,1|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2774	0.082	10	109.1801	2.393	316	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Rh<8>,1|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1637	0.050	3	109.1801	2.393	316	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Ru<6>,1|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.3300	0.103	4	109.1801	2.393	316	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Ru<8>,1|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1855	0.076	2	109.1801	2.393	316	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Ru<9>,1|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2700	0.000	1	109.1801	2.393	316	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Ru<9>,1|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.3310	0.000	1	109.1801	2.393	316	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|S<1>,1|S<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0400	0.000	1	109.1801	2.393	316	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Zn<4>,1|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2855	0.128	4	109.1801	2.393	316	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Zn<4>,1|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.5280	0.000	1	109.1801	2.393	316	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1875	0.134	2	109.1801	2.393	316	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]Ir)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]Ir)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9720	0.000	1	108.9720	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]Mn)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]Mn)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9273	0.158	4	108.9273	0.025	4	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]N)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]N)(H)2{1|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.3450	0.110	2	109.2933	0.014	3	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]N)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]N)(H)2{1|H<1>,1|N<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1900	0.000	1	109.2933	0.014	3	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]Ni)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]Ni)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8167	0.038	4	108.8100	0.001	5	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]Ni)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]Ni)(H)2{1|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7830	0.000	1	108.8100	0.001	5	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]Os)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]Os)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0260	0.000	1	109.0260	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]P)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]P)(H)2{1|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.3465	0.057	2	109.2683	0.020	3	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]P)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]P)(H)2{2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1120	0.000	1	109.2683	0.020	3	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]Pd)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]Pd)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.5401	2.777	7	109.5401	7.713	7	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]Rh)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]Rh)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9623	0.002	3	108.9623	0.000	3	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]Ru)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]Ru)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8264	0.083	5	108.8357	0.006	6	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]Ru)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]Ru)(H)2{1|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8820	0.000	1	108.8357	0.006	6	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]S)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0900	0.066	5	109.0657	0.020	9	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]S)(H)2{1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1435	0.298	2	109.0657	0.020	9	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]S)(H)2{1|C<4>,1|N<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9500	0.000	1	109.0657	0.020	9	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]S)(H)2{1|H<1>,1|S<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9040	0.000	1	109.0657	0.020	9	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]Zn)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]Zn)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9407	0.108	3	109.0166	0.063	7	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]Zn)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]Zn)(H)2{1|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7905	0.026	2	109.0166	0.063	7	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]Zn)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]Zn)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.3565	0.066	2	109.0166	0.063	7	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]Ge[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]Ge[5]C)(H)2{1|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.6445	0.217	2	108.6445	0.047	2	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|B<4>,1|C<4>,1|O<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.5325	0.050	2	108.6658	0.046	70	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|C<3>,1|C<4>,1|O<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7970	0.062	2	108.6658	0.046	70	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.5380	0.332	2	108.6658	0.046	70	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|C<4>,1|C<5>,1|O<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.5440	0.000	1	108.6658	0.046	70	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|C<4>,1|C<5>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.5177	0.110	3	108.6658	0.046	70	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|C<4>,1|C<6>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.6560	0.129	3	108.6658	0.046	70	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.6265	0.040	2	108.6658	0.046	70	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|C<4>,2|N<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8436	0.091	5	108.6658	0.046	70	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|Cl<1>,1|Pt<4>,1|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.6295	0.076	6	108.6658	0.046	70	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|Mo<6>,1|C<4>,1|O<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.6256	0.178	10	108.6658	0.046	70	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|Mo<6>,1|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.5995	0.069	4	108.6658	0.046	70	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|Mo<8>,1|C<4>,1|O<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.6400	0.082	2	108.6658	0.046	70	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|Mo<8>,1|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.6070	0.000	1	108.6658	0.046	70	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|Ni<4>,1|C<3>,1|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.4820	0.049	2	108.6658	0.046	70	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|Ni<4>,1|C<4>,1|C<6>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.6663	0.053	4	108.6658	0.046	70	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|O<1>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.3230	0.000	1	108.6658	0.046	70	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|Pd<4>,2|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7467	0.079	4	108.6658	0.046	70	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|Pt<4>,1|C<3>,1|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.6543	0.125	8	108.6658	0.046	70	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|Pt<4>,2|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7140	0.126	6	108.6658	0.046	70	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|Rh<6>,1|C<3>,1|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.1480	0.000	1	108.6658	0.046	70	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|Rh<6>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.4110	0.000	1	108.6658	0.046	70	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]Si[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]Si[5]C)(H)2{1|C<4>,1|N<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.5070	0.035	2	108.5070	0.001	2	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HS)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HS)(N[5]C[5]C)(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1430	0.000	1	109.1430	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]CC)(N[5]S[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]CC)(N[5]S[5]C)(H)2{2|O<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.4735	0.069	2	109.4735	0.005	2	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]CH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.3380	0.000	1	108.8624	0.719	7	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]CH)(N[5]C[5]C)(H)2{1|N<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1950	0.000	1	108.8624	0.719	7	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]CH)(N[5]C[5]C)(H)2{1|O<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1440	0.000	1	108.8624	0.719	7	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]CH)(N[5]C[5]C)(H)2{2|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.5900	1.096	4	108.8624	0.719	7	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]CH)(N[5]C[5]H)(H)2{1|O<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.9674	1.140	5	109.9674	1.300	5	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]N)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]CH)(N[5]C[5]N)(H)2{1|O<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.3600	0.062	4	109.3600	0.004	4	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]CH)(N[5]C[5]S)(H)2{1|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9445	0.015	2	108.9445	0.000	2	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]CH)(N[5]S[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]CH)(N[5]S[5]C)(H)2{2|O<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0555	0.008	2	109.0555	0.000	2	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]2)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]2)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.3093	0.101	3	109.3049	0.004	7	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]2)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]2)(H)2{1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2960	0.033	2	109.3049	0.004	7	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]2)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]2)(H)2{1|O<1>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.3070	0.024	2	109.3049	0.004	7	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Al)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]Al)(H)2{1|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.5287	0.026	3	109.5287	0.001	3	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.3330	0.000	1	109.4212	1.265	107	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.3680	0.000	1	109.4212	1.265	107	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{1|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.4380	0.000	1	109.4212	1.265	107	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{1|N<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	106.8270	0.000	1	109.4212	1.265	107	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{1|O<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.4722	1.145	97	109.4212	1.265	107	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{1|S<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.4320	0.042	2	109.4212	1.265	107	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8588	0.073	4	109.4212	1.265	107	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Cd)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]Cd)(H)2{1|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9310	0.000	1	108.9310	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Co)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]Co)(H)2{1|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8873	0.089	3	108.9292	0.012	8	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Co)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]Co)(H)2{1|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9544	0.120	5	108.9292	0.012	8	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(H)2{1|N<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0980	0.000	1	109.0800	0.002	4	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(H)2{1|O<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0740	0.048	3	109.0800	0.002	4	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Fe)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]Fe)(H)2{1|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0653	0.123	16	109.0611	0.014	17	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Fe)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]Fe)(H)2{1|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9930	0.000	1	109.0611	0.014	17	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]H)(H)2{1|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.3610	0.078	4	109.6923	2.495	23	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]H)(H)2{1|N<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.3785	0.049	2	109.6923	2.495	23	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]H)(H)2{1|N<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.6267	1.735	16	109.6923	2.495	23	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]H)(H)2{1|O<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	112.6950	0.000	1	109.6923	2.495	23	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(H)2{1|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0653	0.160	10	109.0653	0.026	10	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Mn)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]Mn)(H)2{1|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0890	0.000	1	109.0890	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(H)2{1|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0720	0.074	2	109.0555	0.004	4	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(H)2{1|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0390	0.076	2	109.0555	0.004	4	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]P)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]P)(H)2{1|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.4880	0.000	1	109.4880	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(H)2{1|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1637	0.190	11	109.1478	0.066	23	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(H)2{1|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1332	0.314	12	109.1478	0.066	23	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Pt)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]Pt)(H)2{1|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1038	0.111	5	109.1038	0.012	5	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Re)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]Re)(H)2{1|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1379	0.061	14	109.1192	0.005	17	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Re)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]Re)(H)2{1|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0317	0.068	3	109.1192	0.005	17	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Ru)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]Ru)(H)2{1|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0250	0.000	1	109.0580	0.002	2	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Ru)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]Ru)(H)2{1|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0910	0.000	1	109.0580	0.002	2	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(H)2{1|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9237	0.019	3	108.5503	0.500	6	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(H)2{1|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0840	0.000	1	108.5503	0.500	6	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(H)2{1|N<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	107.7235	0.657	2	108.5503	0.500	6	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]P[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]P[5]C)(H)2{1|B<4>,1|O<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0200	0.000	1	109.0200	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]S[5]CH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]CH)(N[5]C[5]H)(H)2{1|S<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	107.3270	0.000	1	107.3270	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]S[5]CH)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]CH)(N[5]C[5]S)(H)2{1|N<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.5540	0.000	1	108.5540	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]S[5]CH)(N[5]N[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]CH)(N[5]N[5]H)(H)2{1|C<3>,2|O<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.3900	0.000	1	108.3900	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]2)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]2)(H)2{1|N<3>,1|O<1>,1|S<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.3690	0.000	1	106.8345	4.709	2	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]2)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]2)(H)2{1|N<3>,1|S<1>,1|S<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	105.3000	0.000	1	106.8345	4.709	2	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]B)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]B)(H)2{1|S<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.2860	0.107	2	108.2860	0.012	2	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.5155	0.349	2	108.6640	0.205	49	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|N<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.4557	0.237	13	108.6640	0.205	49	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|N<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.4550	0.000	1	108.6640	0.205	49	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|O<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9671	0.631	11	108.6640	0.205	49	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|S<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7106	0.427	18	108.6640	0.205	49	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|S<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.4250	0.099	4	108.6640	0.205	49	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]Fe)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]Fe)(H)2{1|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.3026	0.104	11	108.3026	0.011	11	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.2040	0.000	1	107.4197	13.425	13	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2{1|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.6590	0.000	1	107.4197	13.425	13	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	110.0090	0.000	1	107.4197	13.425	13	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2{1|N<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	105.9880	5.215	6	107.4197	13.425	13	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2{1|S<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.4320	0.000	1	107.4197	13.425	13	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2{1|S<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.4080	0.076	3	107.4197	13.425	13	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]Ir)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]Ir)(H)2{1|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.2460	0.000	1	108.2460	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]Ni)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]Ni)(H)2{1|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.3550	0.000	1	108.3550	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]P)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]P)(H)2{1|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.1340	0.000	1	108.2713	0.014	3	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]P)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]P)(H)2{1|N<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.3320	0.000	1	108.2713	0.014	3	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]P)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]P)(H)2{1|S<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.3480	0.000	1	108.2713	0.014	3	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]Pd)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]Pd)(H)2{1|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.3410	0.000	1	108.3410	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]Pt)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]Pt)(H)2{1|S<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.2865	0.011	2	108.2865	0.000	2	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]Re)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]Re)(H)2{1|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.3975	0.136	6	108.3975	0.019	6	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]S)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.3600	0.000	1	108.5568	0.019	5	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]S)(H)2{1|N<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.6357	0.097	3	108.5568	0.019	5	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]S)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]S)(H)2{1|S<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.5170	0.000	1	108.5568	0.019	5	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5]Zn)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]S[5]HH)(N[5]C[5]Zn)(H)2{1|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.2140	0.000	1	108.2140	0.000	1	109.0259	1.636	3346	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Al)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Al)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8918	0.173	4	108.8883	0.333	95	108.7597	1.051	2564	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Al)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Al)(H)2{4|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8881	0.589	91	108.8883	0.333	95	108.7597	1.051	2564	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]B)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]B)(H)2{4|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	111.3310	3.197	11	111.3310	10.222	11	108.7597	1.051	2564	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Ba)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Ba)(H)2{4|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6992	0.200	23	108.6992	0.040	23	108.7597	1.051	2564	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Be)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Be)(H)2{4|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7930	0.000	1	108.7930	0.000	1	108.7597	1.051	2564	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Ca)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Ca)(H)2{3|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.3740	0.259	2	108.7139	0.075	152	108.7597	1.051	2564	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Ca)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Ca)(H)2{4|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7184	0.273	150	108.7139	0.075	152	108.7597	1.051	2564	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Cd)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Cd)(H)2{4|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7090	0.095	3	108.7090	0.009	3	108.7597	1.051	2564	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Ce)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Ce)(H)2{4|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.3430	0.000	1	108.3430	0.000	1	108.7597	1.051	2564	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Co)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Co)(H)2{4|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6918	0.686	53	108.6918	0.471	53	108.7597	1.051	2564	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Cr)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Cr)(H)2{4|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6015	1.221	106	108.6015	1.491	106	108.7597	1.051	2564	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Cu)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Cu)(H)2{4|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7594	0.284	24	108.7594	0.081	24	108.7597	1.051	2564	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Dy)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Dy)(H)2{4|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7407	0.076	4	108.7407	0.006	4	108.7597	1.051	2564	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Er)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Er)(H)2{4|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8415	0.292	2	108.8415	0.085	2	108.7597	1.051	2564	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Eu)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Eu)(H)2{4|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7209	0.316	25	108.7209	0.100	25	108.7597	1.051	2564	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Fe)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Fe)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7470	0.133	3	108.7600	0.115	96	108.7597	1.051	2564	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Fe)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Fe)(H)2{4|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7604	0.343	93	108.7600	0.115	96	108.7597	1.051	2564	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Ga)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Ga)(H)2{4|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.3377	1.792	20	109.3377	3.211	20	108.7597	1.051	2564	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Hf)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Hf)(H)2{4|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9637	0.234	3	108.9637	0.055	3	108.7597	1.051	2564	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]In)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]In)(H)2{4|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7099	0.438	9	108.7099	0.192	9	108.7597	1.051	2564	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Ir)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Ir)(H)2{4|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.0837	0.462	3	109.0837	0.213	3	108.7597	1.051	2564	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Li)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Li)(H)2{2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.1070	0.000	2	108.6632	0.481	901	108.7597	1.051	2564	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Li)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Li)(H)2{3|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6890	7.450	4	108.6632	0.481	901	108.7597	1.051	2564	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Li)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Li)(H)2{4|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6621	0.546	895	108.6632	0.481	901	108.7597	1.051	2564	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Lu)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Lu)(H)2{4|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6335	0.172	6	108.6335	0.030	6	108.7597	1.051	2564	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Mg)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Mg)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.0085	0.320	2	109.0926	3.918	341	108.7597	1.051	2564	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Mg)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Mg)(H)2{2|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.5800	0.000	1	109.0926	3.918	341	108.7597	1.051	2564	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Mg)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Mg)(H)2{3|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	129.3890	0.000	2	109.0926	3.918	341	108.7597	1.051	2564	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Mg)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Mg)(H)2{4|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9738	1.225	336	109.0926	3.918	341	108.7597	1.051	2564	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Mn)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Mn)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9650	0.000	1	108.7247	0.027	18	108.7597	1.051	2564	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Mn)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Mn)(H)2{4|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7106	0.158	17	108.7247	0.027	18	108.7597	1.051	2564	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Mo)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Mo)(H)2{4|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7110	0.183	11	108.7110	0.034	11	108.7597	1.051	2564	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Nd)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Nd)(H)2{4|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7055	0.282	6	108.7055	0.080	6	108.7597	1.051	2564	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Ni)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Ni)(H)2{4|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7584	0.172	33	108.7584	0.030	33	108.7597	1.051	2564	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Np)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Np)(H)2{4|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7670	0.194	6	108.7670	0.038	6	108.7597	1.051	2564	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Pd)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Pd)(H)2{4|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.6410	1.675	3	109.6410	2.806	3	108.7597	1.051	2564	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Pt)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Pt)(H)2{4|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6770	0.303	4	108.6770	0.092	4	108.7597	1.051	2564	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Pu)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Pu)(H)2{4|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6844	0.200	17	108.6844	0.040	17	108.7597	1.051	2564	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Re)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Re)(H)2{4|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7391	0.122	14	108.7391	0.015	14	108.7597	1.051	2564	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Rh)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Rh)(H)2{4|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7137	0.092	6	108.7137	0.009	6	108.7597	1.051	2564	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Ru)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Ru)(H)2{4|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9830	0.379	11	108.9830	0.144	11	108.7597	1.051	2564	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Sc)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Sc)(H)2{4|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8318	0.460	46	108.8318	0.212	46	108.7597	1.051	2564	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Si)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Si)(H)2{4|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.1260	0.148	3	109.1260	0.022	3	108.7597	1.051	2564	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Sm)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Sm)(H)2{4|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7245	1.091	110	108.7245	1.190	110	108.7597	1.051	2564	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Sn)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Sn)(H)2{4|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7675	0.296	11	108.7675	0.088	11	108.7597	1.051	2564	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Sr)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Sr)(H)2{3|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8990	0.000	1	108.7048	0.049	71	108.7597	1.051	2564	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Sr)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Sr)(H)2{4|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7020	0.222	70	108.7048	0.049	71	108.7597	1.051	2564	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Ta)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Ta)(H)2{4|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.0505	0.084	2	109.0505	0.007	2	108.7597	1.051	2564	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Tc)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Tc)(H)2{4|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.8068	0.277	5	108.8068	0.077	5	108.7597	1.051	2564	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Ti)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Ti)(H)2{4|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6572	0.984	44	108.6572	0.968	44	108.7597	1.051	2564	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Tm)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Tm)(H)2{4|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.5570	0.000	1	108.5570	0.000	1	108.7597	1.051	2564	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]U)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]U)(H)2{4|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6532	0.265	28	108.6532	0.070	28	108.7597	1.051	2564	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]V)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]V)(H)2{1|C<5>,3|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.9570	0.000	1	108.2099	2.295	44	108.7597	1.051	2564	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]V)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]V)(H)2{4|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.1925	1.528	43	108.2099	2.295	44	108.7597	1.051	2564	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]W)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]W)(H)2{4|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7446	0.209	16	108.7446	0.044	16	108.7597	1.051	2564	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Y)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Y)(H)2{4|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.5961	0.272	8	108.5961	0.074	8	108.7597	1.051	2564	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Yb)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Yb)(H)2{4|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6556	0.280	21	108.6556	0.078	21	108.7597	1.051	2564	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Zn)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Zn)(H)2{4|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7686	0.157	48	108.7686	0.025	48	108.7597	1.051	2564	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5]Zr)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]HH)(O[5]C[5]Zr)(H)2{4|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6772	1.006	66	108.6772	1.011	66	108.7597	1.051	2564	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5]Mg)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]C[5]Mg)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	109.3987	0.048	3	109.3987	0.002	3	108.7597	1.051	2564	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]Nb[5]C)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]Nb[5]C)(H)2{2|Cl<1>,1|C<4>,1|N<2>,1|O<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.4740	0.071	4	108.4460	0.044	29	108.7597	1.051	2564	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]Nb[5]C)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]Nb[5]C)(H)2{3|Cl<1>,1|C<4>,1|N<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.4294	0.232	23	108.4460	0.044	29	108.7597	1.051	2564	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:O[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(O[5]Nb[5]C)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]O[5]HH)(O[5]Nb[5]C)(H)2{3|Cl<1>,1|C<4>,1|O<2>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.5800	0.068	2	108.4460	0.044	29	108.7597	1.051	2564	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:S[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3,5]HH)(S[5]C[3,5]O)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[3,5]HH)(S[5]C[3,5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.6380	0.000	1	108.6380	0.000	1	108.7549	1.935	64	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:S[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HO)(S[5]C[5,6]O)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5,6]HO)(S[5]C[5,6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.6260	0.226	3	108.6260	0.051	3	108.7549	1.935	64	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:S[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(S[5]C[5]Au)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HH)(S[5]C[5]Au)(H)2{4|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.4350	0.000	1	108.4350	0.000	1	108.7549	1.935	64	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:S[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(S[5]C[5]B)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HH)(S[5]C[5]B)(H)2{4|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	109.9200	0.816	2	109.9200	0.666	2	108.7549	1.935	64	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:S[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(S[5]C[5]Ir)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HH)(S[5]C[5]Ir)(H)2{4|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.7327	0.189	14	108.7327	0.036	14	108.7549	1.935	64	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:S[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(S[5]C[5]Mo)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HH)(S[5]C[5]Mo)(H)2{4|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.7330	0.000	1	108.7330	0.000	1	108.7549	1.935	64	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:S[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(S[5]C[5]O)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HH)(S[5]C[5]O)(H)2{1|C<4>,1|S<2>,2|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.1100	0.000	1	108.4675	0.073	4	108.7549	1.935	64	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:S[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(S[5]C[5]O)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HH)(S[5]C[5]O)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.7620	0.000	1	108.4675	0.073	4	108.7549	1.935	64	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:S[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(S[5]C[5]O)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HH)(S[5]C[5]O)(H)2{4|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.4990	0.049	2	108.4675	0.073	4	108.7549	1.935	64	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:S[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(S[5]C[5]Pd)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HH)(S[5]C[5]Pd)(H)2{4|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.6770	0.058	2	108.6770	0.003	2	108.7549	1.935	64	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:S[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(S[5]C[5]Pt)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HH)(S[5]C[5]Pt)(H)2{4|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.7246	0.205	8	108.7246	0.042	8	108.7549	1.935	64	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:S[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(S[5]C[5]Re)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HH)(S[5]C[5]Re)(H)2{4|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.7233	0.188	4	108.7233	0.035	4	108.7549	1.935	64	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:S[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(S[5]C[5]Ru)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HH)(S[5]C[5]Ru)(H)2{4|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.4490	0.000	1	108.4490	0.000	1	108.7549	1.935	64	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:S[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(S[5]C[5]Te)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HH)(S[5]C[5]Te)(H)2{4|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.7363	0.086	3	108.7363	0.007	3	108.7549	1.935	64	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:S[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(S[5]C[5]Zn)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HH)(S[5]C[5]Zn)(H)2{4|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	109.4720	0.000	1	109.4720	0.000	1	108.7549	1.935	64	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:S[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(S[5]S[5]Ru)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HH)(S[5]S[5]Ru)(H)2{1|Ru<6>,2|C<4>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	107.3960	0.000	1	107.3960	0.000	1	108.7549	1.935	64	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:S[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6a]CH)(S[5]C[5,6a]O)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5,6a]CH)(S[5]C[5,6a]O)(H)2{2|C<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	113.8100	0.000	1	113.8100	0.000	1	108.7549	1.935	64	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:S[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(S[5]C[5]O)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5]CH)(S[5]C[5]O)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	117.4720	0.000	1	117.4720	0.000	1	108.7549	1.935	64	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:S[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]S[5]HH)(S[5]C[5]O)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]S[5]HH)(S[5]C[5]O)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.2890	0.000	1	108.3666	0.151	8	108.7549	1.935	64	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:S[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]S[5]HH)(S[5]C[5]O)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]S[5]HH)(S[5]C[5]O)(H)2{1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.6395	0.450	2	108.3666	0.151	8	108.7549	1.935	64	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:S[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]S[5]HH)(S[5]C[5]O)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]S[5]HH)(S[5]C[5]O)(H)2{2|C<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.2730	0.404	5	108.3666	0.151	8	108.7549	1.935	64	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:S[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]S[5]HH)(S[5]Nb[5]C)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]S[5]HH)(S[5]Nb[5]C)(H)2{3|Cl<1>,1|C<4>,1|O<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	107.6105	0.069	2	107.6094	0.004	8	108.7549	1.935	64	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:S[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]S[5]HH)(S[5]Nb[5]C)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]S[5]HH)(S[5]Nb[5]C)(H)2{3|Cl<1>,1|C<4>,1|S<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	107.6710	0.004	2	107.6094	0.004	8	108.7549	1.935	64	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	C[5]-4:S[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]S[5]HH)(S[5]Nb[5]C)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]S[5]HH)(S[5]Nb[5]C)(H)2{4|Cl<1>,1|C<4>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	107.5780	0.068	4	107.6094	0.004	8	108.7549	1.935	64	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	Ge[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](Ge[5]C[5]2Cl)(C[5]C[5]C)(H)2	H(C[5]Ge[5]C[5]H)	H(C[5]Ge[5]C[5]H)	C[5](Ge[5]C[5]2Cl)(C[5]C[5]C)(H)2{1|C<4>,2|H<1>,2|N<3>}	H(C[5]Ge[5]C[5]H)	H(C[5]Ge[5]C[5]H)	109.4495	0.025	2	109.4495	0.001	2	109.2484	0.050	5	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	Ge[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](Ge[5]C[6a]C[5]2)(C[5]C[5]C)(H)2	H(C[5]Ge[5]C[5]H)	H(C[5]Ge[5]C[5]H)	C[5](Ge[5]C[6a]C[5]2)(C[5]C[5]C)(H)2{1|Fe<10>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]Ge[5]C[5]H)	H(C[5]Ge[5]C[5]H)	109.0105	0.016	2	109.0105	0.000	2	109.2484	0.050	5	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	Ge[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](Ge[5]O[5]CO)(C[5]C[5]H)(H)2	H(C[5]Ge[5]C[5]H)	H(C[5]Ge[5]C[5]H)	C[5](Ge[5]O[5]CO)(C[5]C[5]H)(H)2{1|C<4>}	H(C[5]Ge[5]C[5]H)	H(C[5]Ge[5]C[5]H)	109.3220	0.000	1	109.3220	0.000	1	109.2484	0.050	5	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	N[3x5]-4:C[5,6]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[3x5]Ga[3x5,6,6]C[5]2)(C[5,6]N[5,6]C[6])(H)2	H(C[5]C[5,6]N[3x5]H)	H(C[5]C[5,6]N[3x5]H)	C[5](N[3x5]Ga[3x5,6,6]C[5]2)(C[5,6]N[5,6]C[6])(H)2{2|C<3>,2|C<4>,2|N<4>,2|O<2>,5|H<1>}	H(C[5]C[5,6]N[3x5]H)	H(C[5]C[5,6]N[3x5]H)	107.9295	0.016	2	107.9295	0.000	2	108.0643	0.055	3	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	N[3x5]-4:C[5,6]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[3x5]Ga[5x5]C[5,6]C[5])(C[5,6]N[5,6]C[6])(H)2	H(C[5]C[5,6]N[3x5]H)	H(C[5]C[5,6]N[3x5]H)	C[5](N[3x5]Ga[5x5]C[5,6]C[5])(C[5,6]N[5,6]C[6])(H)2{1|N<3>,1|N<4>,2|C<4>,2|O<2>,3|C<3>,4|H<1>}	H(C[5]C[5,6]N[3x5]H)	H(C[5]C[5,6]N[3x5]H)	108.3340	0.000	1	108.3340	0.000	1	108.0643	0.055	3	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	N[3x5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[3x5]Ga[5x5]C[5,6]C[5])(C[5]O[5]O)(H)2	H(C[5]N[3x5]C[5]H)	H(C[5]N[3x5]C[5]H)	C[5](N[3x5]Ga[5x5]C[5,6]C[5])(C[5]O[5]O)(H)2{1|C<3>,1|N<4>,1|O<2>,2|C<4>,2|N<3>,3|H<1>}	H(C[5]N[3x5]C[5]H)	H(C[5]N[3x5]C[5]H)	107.6680	0.000	1	107.6680	0.000	1	107.6680	0.000	1	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	N[5,5]-4:C[5,6]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]Ga[3x5]C[5]H)(C[5,6]N[5,6]C[6])(H)2	H(C[5]C[5,6]N[5,5]H)	H(C[5]C[5,6]N[5,5]H)	C[5](N[5,5]Ga[3x5]C[5]H)(C[5,6]N[5,6]C[6])(H)2{2|Cl<1>,1|C<4>,1|N<3>,1|N<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6]N[5,5]H)	H(C[5]C[5,6]N[5,5]H)	108.3940	0.031	2	108.3940	0.001	2	108.2518	0.055	4	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	N[5,5]-4:C[5,6]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]Ga[5x5]C[5]H)(C[5,6]N[5,5,6]C[6])(H)2	H(C[5]C[5,6]N[5,5]H)	H(C[5]C[5,6]N[5,5]H)	C[5](N[5,5]Ga[5x5]C[5]H)(C[5,6]N[5,5,6]C[6])(H)2{1|C<4>,2|C<3>,2|N<3>,2|O<2>,3|H<1>}	H(C[5]C[5,6]N[5,5]H)	H(C[5]C[5,6]N[5,5]H)	108.3120	0.000	1	108.3120	0.000	1	108.2518	0.055	4	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	N[5,5]-4:C[5,6]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]In[5,5]C[5]H)(C[5,6]N[5,6]C[6])(H)2	H(C[5]C[5,6]N[5,5]H)	H(C[5]C[5,6]N[5,5]H)	C[5](N[5,5]In[5,5]C[5]H)(C[5,6]N[5,6]C[6])(H)2{3|Br<1>,1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[5,6]N[5,5]H)	H(C[5]C[5,6]N[5,5]H)	107.9070	0.000	1	107.9070	0.000	1	108.2518	0.055	4	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	N[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|C<2>,1|C<3>,1|O<2>,2|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.3505	1.514	10	108.8358	0.383	94	108.7773	0.387	107	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	N[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.7191	0.125	30	108.8358	0.383	94	108.7773	0.387	107	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	N[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|C<3>,2|H<1>,2|O<2>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.7430	0.025	2	108.8358	0.383	94	108.7773	0.387	107	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	N[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.8078	0.473	52	108.8358	0.383	94	108.7773	0.387	107	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	N[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]B[5,5]C[6,6]C[5])(C[5]O[5]O)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]B[5,5]C[6,6]C[5])(C[5]O[5]O)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.7613	0.123	4	108.7238	0.014	6	108.7773	0.387	107	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	N[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]B[5,5]C[6,6]C[5])(C[5]O[5]O)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]B[5,5]C[6,6]C[5])(C[5]O[5]O)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.6490	0.096	2	108.7238	0.014	6	108.7773	0.387	107	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	N[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]Ga[3x5]C[5]C)(C[5]O[5]O)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]Ga[3x5]C[5]C)(C[5]O[5]O)(H)2{1|C<4>,1|N<4>,2|H<1>,2|O<2>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.6010	0.161	2	108.6010	0.026	2	108.7773	0.387	107	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	N[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]Ga[3x5]C[5]H)(C[5]O[5]O)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]Ga[3x5]C[5]H)(C[5]O[5]O)(H)2{1|C<3>,1|N<4>,2|C<4>,2|O<2>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.0740	0.000	1	108.0740	0.000	1	108.7773	0.387	107	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	N[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]Ga[4x5]C[5]C)(C[5]O[5]O)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]Ga[4x5]C[5]C)(C[5]O[5]O)(H)2{1|C<3>,1|N<4>,2|H<1>,3|O<2>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	107.5985	0.036	2	107.5985	0.001	2	108.7773	0.387	107	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	N[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]Ga[5,5]C[5]C)(C[5]O[5]O)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]Ga[5,5]C[5]C)(C[5]O[5]O)(H)2{1|C<3>,1|O<3>,2|H<1>,2|O<2>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	107.8915	0.250	2	107.8915	0.062	2	108.7773	0.387	107	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	N[5,6,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6,6]Ga[3x5,3x6]C[3x6]H)(C[5]O[5]O)(H)2	H(C[5]N[5,6,6]C[5]H)	H(C[5]N[5,6,6]C[5]H)	C[5](N[5,6,6]Ga[3x5,3x6]C[3x6]H)(C[5]O[5]O)(H)2{1|H<1>,2|C<4>,2|N<4>,2|O<2>}	H(C[5]N[5,6,6]C[5]H)	H(C[5]N[5,6,6]C[5]H)	107.9380	0.000	1	107.9380	0.000	1	107.9380	0.000	1	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	N[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]B[5,6]C[6]Cr)(C[5]C[5]H)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]B[5,6]C[6]Cr)(C[5]C[5]H)(H)2{2|C<4>,2|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.1550	0.000	1	109.1550	0.000	1	108.6355	0.540	2	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	N[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]Ga[5,6]C[6]C)(C[5]O[5]O)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]Ga[5,6]C[6]C)(C[5]O[5]O)(H)2{1|C<3>,1|O<3>,2|H<1>,2|O<2>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.1160	0.000	1	108.1160	0.000	1	108.6355	0.540	2	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	N[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]B[5,6a]HH)(C[5]N[5,6a]O)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]B[5,6a]HH)(C[5]N[5,6a]O)(H)2{1|C<3>,1|N<2>,1|O<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.5985	0.042	2	108.5985	0.002	2	108.5907	0.302	10	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	N[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,6]CC)(C[5]C[5,6]C)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6]CC)(C[5]C[5,6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.6740	0.000	2	108.6740	0.000	2	108.5907	0.302	10	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	N[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]2H)(C[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]2H)(C[5]C[5]H)(H)2{2|C<4>,5|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.6750	0.000	1	108.6750	0.000	1	108.5907	0.302	10	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	N[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]CH)(C[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]CH)(C[5]C[5]H)(H)2{2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7200	0.000	1	108.7200	0.000	1	108.5907	0.302	10	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	N[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]HH)(C[5]C[5]H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]HH)(C[5]C[5]H)(H)2{3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.3000	0.168	2	109.3000	0.028	2	108.5907	0.302	10	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	N[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]In[5,5]CC)(C[5]O[5]O)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]In[5,5]CC)(C[5]O[5]O)(H)2{1|N<4>,2|O<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	107.6835	0.022	2	107.6835	0.000	2	108.5907	0.302	10	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	N[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]NiC)(N[5]C[5]C)(H)2	H(C[5]N[5]2H)	H(C[5]N[5]2H)	C[5](N[5]C[5]NiC)(N[5]C[5]C)(H)2{4|H<1>}	H(C[5]N[5]2H)	H(C[5]N[5]2H)	109.0120	0.000	1	109.0120	0.000	1	109.0120	0.000	1	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	P[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5,6]C[5]C[6]N[6])(C[5]C[5]C)(H)2	H(C[5]P[5,6]C[5]H)	H(C[5]P[5,6]C[5]H)	C[5](P[5,6]C[5]C[6]N[6])(C[5]C[5]C)(H)2{1|Si<4>,1|C<3>,2|C<4>,4|H<1>}	H(C[5]P[5,6]C[5]H)	H(C[5]P[5,6]C[5]H)	108.9838	0.051	4	108.9838	0.003	4	108.9838	0.003	4	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	P[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C)(H)2	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C)(H)2{4|C<3>}	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	108.9110	0.000	1	108.9110	0.000	1	109.2260	0.027	10	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	P[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]C[5]ClN)(C[5]C[5]C)(H)2	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	C[5](P[5]C[5]ClN)(C[5]C[5]C)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	109.1655	0.011	2	109.1655	0.000	2	109.2260	0.027	10	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	P[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]C[5]NN)(C[5]C[5]C)(H)2	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	C[5](P[5]C[5]NN)(C[5]C[5]C)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	109.2657	0.062	4	109.2657	0.004	4	109.2260	0.027	10	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	P[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]C[6a]2C[5])(C[5]C[5]C)(H)2	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]2C[5])(C[5]C[5]C)(H)2{1|B<4>,2|H<1>,4|C<3>}	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	109.5580	0.000	1	109.5580	0.000	1	109.2260	0.027	10	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	P[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]C[6a]C[5]C)(C[5]C[5]C)(H)2	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]C[5]C)(C[5]C[5]C)(H)2{1|B<3>,1|H<1>,2|C<3>}	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	109.1580	0.000	1	109.1580	0.000	1	109.2260	0.027	10	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	P[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]C[6a]C[5]Cl)(C[5]C[5]C)(H)2	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]C[5]Cl)(C[5]C[5]C)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	109.2390	0.000	1	109.2390	0.000	1	109.2260	0.027	10	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	P[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]C[5,6a]CuC)(N[5]C[5,6a]C)(H)2	H(C[5]N[5]P[5]H)	H(C[5]N[5]P[5]H)	C[5](P[5]C[5,6a]CuC)(N[5]C[5,6a]C)(H)2{2|C<3>}	H(C[5]N[5]P[5]H)	H(C[5]N[5]P[5]H)	108.5090	0.077	3	108.5090	0.006	3	108.5090	0.006	3	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	P[5]-4:P[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]C[6a]P[5]Os)(P[5]C[6a]P[5])(H)2	H(C[5]P[5]2H)	H(C[5]P[5]2H)	C[5](P[5]C[6a]P[5]Os)(P[5]C[6a]P[5])(H)2{1|Os<4>,6|C<3>}	H(C[5]P[5]2H)	H(C[5]P[5]2H)	107.6150	0.000	1	107.5607	0.002	3	107.5607	0.002	3	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	P[5]-4:P[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]C[6a]P[5]Os)(P[5]C[6a]P[5])(H)2	H(C[5]P[5]2H)	H(C[5]P[5]2H)	C[5](P[5]C[6a]P[5]Os)(P[5]C[6a]P[5])(H)2{6|C<3>}	H(C[5]P[5]2H)	H(C[5]P[5]2H)	107.5335	0.018	2	107.5607	0.002	3	107.5607	0.002	3	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	S[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](S[5]C[5,6]OO)(C[5]C[5]C)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](S[5]C[5,6]OO)(C[5]C[5]C)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	109.2510	0.000	1	109.2510	0.000	1	109.1078	0.005	6	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	S[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](S[5]C[5]OO)(C[5]C[5]C)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](S[5]C[5]OO)(C[5]C[5]C)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	109.0815	0.028	4	109.0815	0.001	4	109.1078	0.005	6	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	S[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](S[5]C[5]OO)(C[5]N[5]O)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](S[5]C[5]OO)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	109.0700	0.000	1	109.0700	0.000	1	109.1078	0.005	6	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	Si[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](Si[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5]C[5,6a]Si[5,6]H)	H(C[5]C[5,6a]Si[5,6]H)	C[5](Si[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(H)2{1|B<3>,2|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,6a]Si[5,6]H)	H(C[5]C[5,6a]Si[5,6]H)	109.4660	0.000	1	109.4885	0.001	2	109.4885	0.001	2	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	Si[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](Si[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5]C[5,6a]Si[5,6]H)	H(C[5]C[5,6a]Si[5,6]H)	C[5](Si[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,3|H<1>,5|C<3>}	H(C[5]C[5,6a]Si[5,6]H)	H(C[5]C[5,6a]Si[5,6]H)	109.5110	0.000	1	109.4885	0.001	2	109.4885	0.001	2	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	Si[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](Si[5,6]C[5]N[6]2)(C[5]C[5]C)(H)2	H(C[5]Si[5,6]C[5]H)	H(C[5]Si[5,6]C[5]H)	C[5](Si[5,6]C[5]N[6]2)(C[5]C[5]C)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[5]Si[5,6]C[5]H)	H(C[5]Si[5,6]C[5]H)	109.0935	0.042	2	109.0935	0.002	2	109.0935	0.002	2	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	Si[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](Si[5]C[5]NN)(C[5]C[5]C)(H)2	H(C[5]Si[5]C[5]H)	H(C[5]Si[5]C[5]H)	C[5](Si[5]C[5]NN)(C[5]C[5]C)(H)2{1|C<4>,2|H<1>}	H(C[5]Si[5]C[5]H)	H(C[5]Si[5]C[5]H)	108.9240	0.038	2	108.9240	0.001	2	108.9200	0.001	4	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	Si[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](Si[5]C[5]SiN)(C[5]C[5]C)(H)2	H(C[5]Si[5]C[5]H)	H(C[5]Si[5]C[5]H)	C[5](Si[5]C[5]SiN)(C[5]C[5]C)(H)2{1|C<4>,2|H<1>}	H(C[5]Si[5]C[5]H)	H(C[5]Si[5]C[5]H)	108.9160	0.004	2	108.9160	0.000	2	108.9200	0.001	4	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	Si[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](Si[5]C[5]CC)(N[5]C[5]C)(H)2	H(C[5]Si[5]N[5]H)	H(C[5]Si[5]N[5]H)	C[5](Si[5]C[5]CC)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	H(C[5]Si[5]N[5]H)	H(C[5]Si[5]N[5]H)	108.6230	0.045	2	108.6230	0.002	2	108.6902	0.172	5	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	Si[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](Si[5]O[5]CC)(N[5]C[5]C)(H)2	H(C[5]Si[5]N[5]H)	H(C[5]Si[5]N[5]H)	C[5](Si[5]O[5]CC)(N[5]C[5]C)(H)2{1|C<4>}	H(C[5]Si[5]N[5]H)	H(C[5]Si[5]N[5]H)	109.3530	0.000	1	109.3530	0.000	1	108.6902	0.172	5	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:3:1:1:	4:	4:	Si[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](Si[5]O[5]Si2)(N[5]C[5]C)(H)2	H(C[5]Si[5]N[5]H)	H(C[5]Si[5]N[5]H)	C[5](Si[5]O[5]Si2)(N[5]C[5]C)(H)2{1|C<4>}	H(C[5]Si[5]N[5]H)	H(C[5]Si[5]N[5]H)	108.4260	0.313	2	108.4260	0.098	2	108.6902	0.172	5	108.8765	1.707	10545	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	As[5]-4:As[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](As[5]C[5,6a]CC)2(H)2	H(C[5]As[5]2H)	H(C[5]As[5]2H)	C[5](As[5]C[5,6a]CC)2(H)2{2|C<3>}	H(C[5]As[5]2H)	H(C[5]As[5]2H)	109.0440	0.000	1	109.0440	0.000	1	109.0440	0.000	1	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	B[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](B[5,5]C[5,6a]N[5,5]H)(C[5]C[5]CC)(H)2	H(C[5]B[5,5]C[5]H)	H(C[5]B[5,5]C[5]H)	C[5](B[5,5]C[5,6a]N[5,5]H)(C[5]C[5]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]B[5,5]C[5]H)	H(C[5]B[5,5]C[5]H)	108.5160	0.000	1	108.5160	0.000	1	108.5160	0.000	1	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	B[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](B[5,6,6]C[6,6]2N[5])(C[5]C[5]HH)(H)2	H(C[5]B[5,6,6]C[5]H)	H(C[5]B[5,6,6]C[5]H)	C[5](B[5,6,6]C[6,6]2N[5])(C[5]C[5]HH)(H)2{4|H<1>,6|C<4>}	H(C[5]B[5,6,6]C[5]H)	H(C[5]B[5,6,6]C[5]H)	106.5770	0.000	1	106.5770	0.000	1	106.5770	0.000	1	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	B[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](B[5,6]C[5,6]P[5,6]C[6a])(C[5]P[5,6]HH)(H)2	H(C[5]B[5,6]C[5]H)	H(C[5]B[5,6]C[5]H)	C[5](B[5,6]C[5,6]P[5,6]C[6a])(C[5]P[5,6]HH)(H)2{1|B<4>,1|H<1>,3|C<4>,4|C<3>}	H(C[5]B[5,6]C[5]H)	H(C[5]B[5,6]C[5]H)	108.0695	0.138	2	108.0695	0.019	2	108.0695	0.019	2	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	B[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](B[5]C[5,5]Br2)(C[5]N[5,5]CC)(H)2	H(C[5]B[5]C[5]H)	H(C[5]B[5]C[5]H)	C[5](B[5]C[5,5]Br2)(C[5]N[5,5]CC)(H)2{1|C<3>,1|N<3>}	H(C[5]B[5]C[5]H)	H(C[5]B[5]C[5]H)	108.8260	0.104	3	108.8260	0.011	3	108.5118	0.129	30	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	B[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](B[5]C[5,5]ClC)(C[5]N[5,5]CC)(H)2	H(C[5]B[5]C[5]H)	H(C[5]B[5]C[5]H)	C[5](B[5]C[5,5]ClC)(C[5]N[5,5]CC)(H)2{1|C<3>,1|N<3>}	H(C[5]B[5]C[5]H)	H(C[5]B[5]C[5]H)	108.1220	0.000	1	108.1220	0.000	1	108.5118	0.129	30	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	B[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](B[5]C[5,6]C[6a]2)(C[5]P[5,6]HH)(H)2	H(C[5]B[5]C[5]H)	H(C[5]B[5]C[5]H)	C[5](B[5]C[5,6]C[6a]2)(C[5]P[5,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,5|C<3>}	H(C[5]B[5]C[5]H)	H(C[5]B[5]C[5]H)	107.9220	0.000	1	107.9220	0.000	1	108.5118	0.129	30	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	B[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](B[5]C[5]Br2)(C[5]N[5]CH)(H)2	H(C[5]B[5]C[5]H)	H(C[5]B[5]C[5]H)	C[5](B[5]C[5]Br2)(C[5]N[5]CH)(H)2{1|C<4>,1|H<1>,1|N<3>}	H(C[5]B[5]C[5]H)	H(C[5]B[5]C[5]H)	108.9860	0.000	1	108.9860	0.000	1	108.5118	0.129	30	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	B[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](B[5]C[6a]2C[5])(C[5]C[5]CH)(H)2	H(C[5]B[5]C[5]H)	H(C[5]B[5]C[5]H)	C[5](B[5]C[6a]2C[5])(C[5]C[5]CH)(H)2{1|P<4>,3|H<1>,4|C<3>}	H(C[5]B[5]C[5]H)	H(C[5]B[5]C[5]H)	108.7650	0.000	1	108.7650	0.000	1	108.5118	0.129	30	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	B[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](B[5]C[6a]2C[5])(C[5]C[5]HH)(H)2	H(C[5]B[5]C[5]H)	H(C[5]B[5]C[5]H)	C[5](B[5]C[6a]2C[5])(C[5]C[5]HH)(H)2{1|P<4>,3|H<1>,4|C<3>}	H(C[5]B[5]C[5]H)	H(C[5]B[5]C[5]H)	108.5380	0.000	1	108.5380	0.000	1	108.5118	0.129	30	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	B[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](B[5]C[6a]2C[5])(C[5]C[5]HP)(H)2	H(C[5]B[5]C[5]H)	H(C[5]B[5]C[5]H)	C[5](B[5]C[6a]2C[5])(C[5]C[5]HP)(H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[5]B[5]C[5]H)	H(C[5]B[5]C[5]H)	108.8280	0.000	1	109.1150	0.165	2	108.5118	0.129	30	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	B[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](B[5]C[6a]2C[5])(C[5]C[5]HP)(H)2	H(C[5]B[5]C[5]H)	H(C[5]B[5]C[5]H)	C[5](B[5]C[6a]2C[5])(C[5]C[5]HP)(H)2{4|C<3>,4|H<1>}	H(C[5]B[5]C[5]H)	H(C[5]B[5]C[5]H)	109.4020	0.000	1	109.1150	0.165	2	108.5118	0.129	30	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	B[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](B[5]C[6a]2N[5])(C[5]C[5]HH)(H)2	H(C[5]B[5]C[5]H)	H(C[5]B[5]C[5]H)	C[5](B[5]C[6a]2N[5])(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,5|C<3>}	H(C[5]B[5]C[5]H)	H(C[5]B[5]C[5]H)	108.4580	0.000	1	108.4580	0.000	1	108.5118	0.129	30	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	B[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](B[5]C[6a]2N[5])(C[5]C[6a]P[5]H)(H)2	H(C[5]B[5]C[5]H)	H(C[5]B[5]C[5]H)	C[5](B[5]C[6a]2N[5])(C[5]C[6a]P[5]H)(H)2{1|O<1>,8|C<3>}	H(C[5]B[5]C[5]H)	H(C[5]B[5]C[5]H)	108.4310	0.000	1	108.3207	0.048	3	108.5118	0.129	30	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	B[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](B[5]C[6a]2N[5])(C[5]C[6a]P[5]H)(H)2	H(C[5]B[5]C[5]H)	H(C[5]B[5]C[5]H)	C[5](B[5]C[6a]2N[5])(C[5]C[6a]P[5]H)(H)2{1|O<2>,8|C<3>}	H(C[5]B[5]C[5]H)	H(C[5]B[5]C[5]H)	108.4630	0.000	1	108.3207	0.048	3	108.5118	0.129	30	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	B[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](B[5]C[6a]2N[5])(C[5]C[6a]P[5]H)(H)2	H(C[5]B[5]C[5]H)	H(C[5]B[5]C[5]H)	C[5](B[5]C[6a]2N[5])(C[5]C[6a]P[5]H)(H)2{2|C<4>,7|C<3>}	H(C[5]B[5]C[5]H)	H(C[5]B[5]C[5]H)	108.0680	0.000	1	108.3207	0.048	3	108.5118	0.129	30	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	B[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](B[5]C[6a]2N[5])(C[5]P[5]CH)(H)2	H(C[5]B[5]C[5]H)	H(C[5]B[5]C[5]H)	C[5](B[5]C[6a]2N[5])(C[5]P[5]CH)(H)2{1|N<2>,6|C<3>}	H(C[5]B[5]C[5]H)	H(C[5]B[5]C[5]H)	108.4350	0.000	1	108.2735	0.080	6	108.5118	0.129	30	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	B[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](B[5]C[6a]2N[5])(C[5]P[5]CH)(H)2	H(C[5]B[5]C[5]H)	H(C[5]B[5]C[5]H)	C[5](B[5]C[6a]2N[5])(C[5]P[5]CH)(H)2{1|O<1>,6|C<3>}	H(C[5]B[5]C[5]H)	H(C[5]B[5]C[5]H)	108.5610	0.000	1	108.2735	0.080	6	108.5118	0.129	30	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	B[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](B[5]C[6a]2N[5])(C[5]P[5]CH)(H)2	H(C[5]B[5]C[5]H)	H(C[5]B[5]C[5]H)	C[5](B[5]C[6a]2N[5])(C[5]P[5]CH)(H)2{1|O<2>,6|C<3>}	H(C[5]B[5]C[5]H)	H(C[5]B[5]C[5]H)	108.4570	0.000	1	108.2735	0.080	6	108.5118	0.129	30	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	B[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](B[5]C[6a]2N[5])(C[5]P[5]CH)(H)2	H(C[5]B[5]C[5]H)	H(C[5]B[5]C[5]H)	C[5](B[5]C[6a]2N[5])(C[5]P[5]CH)(H)2{1|Si<4>,2|C<4>,4|C<3>}	H(C[5]B[5]C[5]H)	H(C[5]B[5]C[5]H)	107.8580	0.000	1	108.2735	0.080	6	108.5118	0.129	30	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	B[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](B[5]C[6a]2N[5])(C[5]P[5]CH)(H)2	H(C[5]B[5]C[5]H)	H(C[5]B[5]C[5]H)	C[5](B[5]C[6a]2N[5])(C[5]P[5]CH)(H)2{2|C<4>,5|C<3>}	H(C[5]B[5]C[5]H)	H(C[5]B[5]C[5]H)	108.1650	0.252	2	108.2735	0.080	6	108.5118	0.129	30	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	B[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](B[5]C[6a]2N[5])(C[5]P[5]HH)(H)2	H(C[5]B[5]C[5]H)	H(C[5]B[5]C[5]H)	C[5](B[5]C[6a]2N[5])(C[5]P[5]HH)(H)2{1|H<1>,6|C<3>}	H(C[5]B[5]C[5]H)	H(C[5]B[5]C[5]H)	108.6270	0.000	1	108.3463	0.230	3	108.5118	0.129	30	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	B[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](B[5]C[6a]2N[5])(C[5]P[5]HH)(H)2	H(C[5]B[5]C[5]H)	H(C[5]B[5]C[5]H)	C[5](B[5]C[6a]2N[5])(C[5]P[5]HH)(H)2{1|N<2>,6|C<3>}	H(C[5]B[5]C[5]H)	H(C[5]B[5]C[5]H)	107.7920	0.000	1	108.3463	0.230	3	108.5118	0.129	30	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	B[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](B[5]C[6a]2N[5])(C[5]P[5]HH)(H)2	H(C[5]B[5]C[5]H)	H(C[5]B[5]C[5]H)	C[5](B[5]C[6a]2N[5])(C[5]P[5]HH)(H)2{1|O<2>,6|C<3>}	H(C[5]B[5]C[5]H)	H(C[5]B[5]C[5]H)	108.6200	0.000	1	108.3463	0.230	3	108.5118	0.129	30	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	B[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](B[5]C[6a]2O[5])(C[5]C[6a]P[5]H)(H)2	H(C[5]B[5]C[5]H)	H(C[5]B[5]C[5]H)	C[5](B[5]C[6a]2O[5])(C[5]C[6a]P[5]H)(H)2{8|C<3>}	H(C[5]B[5]C[5]H)	H(C[5]B[5]C[5]H)	108.7680	0.000	1	108.7680	0.000	1	108.5118	0.129	30	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	B[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](B[5]C[6a]2O[5])(C[5]P[5]CH)(H)2	H(C[5]B[5]C[5]H)	H(C[5]B[5]C[5]H)	C[5](B[5]C[6a]2O[5])(C[5]P[5]CH)(H)2{6|C<3>}	H(C[5]B[5]C[5]H)	H(C[5]B[5]C[5]H)	108.7890	0.000	1	108.7890	0.000	1	108.5118	0.129	30	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	B[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](B[5]C[6a]2P[5])(C[5]C[5]HH)(H)2	H(C[5]B[5]C[5]H)	H(C[5]B[5]C[5]H)	C[5](B[5]C[6a]2P[5])(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>,4|C<3>}	H(C[5]B[5]C[5]H)	H(C[5]B[5]C[5]H)	108.3650	0.000	1	108.3650	0.000	1	108.5118	0.129	30	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	B[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](B[5]C[6a]C[5]H)(C[5]P[5]HH)(H)2	H(C[5]B[5]C[5]H)	H(C[5]B[5]C[5]H)	C[5](B[5]C[6a]C[5]H)(C[5]P[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5]B[5]C[5]H)	H(C[5]B[5]C[5]H)	108.5895	0.230	2	108.5895	0.053	2	108.5118	0.129	30	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	B[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](B[5]C[6a]C[5]O)(C[5]P[5]HH)(H)2	H(C[5]B[5]C[5]H)	H(C[5]B[5]C[5]H)	C[5](B[5]C[6a]C[5]O)(C[5]P[5]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[5]B[5]C[5]H)	H(C[5]B[5]C[5]H)	108.5740	0.000	1	108.5740	0.000	1	108.5118	0.129	30	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	B[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](B[5]C[6a]C[5]S)(C[5]P[5]HH)(H)2	H(C[5]B[5]C[5]H)	H(C[5]B[5]C[5]H)	C[5](B[5]C[6a]C[5]S)(C[5]P[5]HH)(H)2{1|B<4>,1|C<4>,1|H<1>,3|C<3>}	H(C[5]B[5]C[5]H)	H(C[5]B[5]C[5]H)	108.5390	0.000	1	108.5390	0.000	1	108.5118	0.129	30	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	B[5]-4:P[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](B[5]C[5,6a]C[6a]Cl)(P[5]C[5,6a]CC)(H)2	H(C[5]B[5]P[5]H)	H(C[5]B[5]P[5]H)	C[5](B[5]C[5,6a]C[6a]Cl)(P[5]C[5,6a]CC)(H)2{4|C<3>}	H(C[5]B[5]P[5]H)	H(C[5]B[5]P[5]H)	108.4965	0.035	2	108.4965	0.001	2	108.3545	0.471	15	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	B[5]-4:P[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](B[5]C[5,6a]C[6a]F)(P[5]C[5,6a]CC)(H)2	H(C[5]B[5]P[5]H)	H(C[5]B[5]P[5]H)	C[5](B[5]C[5,6a]C[6a]F)(P[5]C[5,6a]CC)(H)2{4|C<3>}	H(C[5]B[5]P[5]H)	H(C[5]B[5]P[5]H)	108.4590	0.000	1	108.4590	0.000	1	108.3545	0.471	15	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	B[5]-4:P[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](B[5]C[5,6a]C[6a]H)(P[5]C[5,6a]CC)(H)2	H(C[5]B[5]P[5]H)	H(C[5]B[5]P[5]H)	C[5](B[5]C[5,6a]C[6a]H)(P[5]C[5,6a]CC)(H)2{4|C<3>}	H(C[5]B[5]P[5]H)	H(C[5]B[5]P[5]H)	108.6590	0.000	1	108.6590	0.000	1	108.3545	0.471	15	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	B[5]-4:P[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](B[5]C[5,6a]C[6a]O)(P[5]C[5,6a]CC)(H)2	H(C[5]B[5]P[5]H)	H(C[5]B[5]P[5]H)	C[5](B[5]C[5,6a]C[6a]O)(P[5]C[5,6a]CC)(H)2{4|C<3>}	H(C[5]B[5]P[5]H)	H(C[5]B[5]P[5]H)	108.4264	0.073	5	108.4264	0.005	5	108.3545	0.471	15	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	B[5]-4:P[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](B[5]C[6a]2N[5])(P[5]C[5]CC)(H)2	H(C[5]B[5]P[5]H)	H(C[5]B[5]P[5]H)	C[5](B[5]C[6a]2N[5])(P[5]C[5]CC)(H)2{1|C<4>,4|C<3>}	H(C[5]B[5]P[5]H)	H(C[5]B[5]P[5]H)	108.7425	0.279	2	108.5782	0.104	4	108.3545	0.471	15	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	B[5]-4:P[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](B[5]C[6a]2N[5])(P[5]C[5]CC)(H)2	H(C[5]B[5]P[5]H)	H(C[5]B[5]P[5]H)	C[5](B[5]C[6a]2N[5])(P[5]C[5]CC)(H)2{1|C<4>,5|C<3>}	H(C[5]B[5]P[5]H)	H(C[5]B[5]P[5]H)	108.1630	0.000	1	108.5782	0.104	4	108.3545	0.471	15	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	B[5]-4:P[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](B[5]C[6a]2N[5])(P[5]C[5]CC)(H)2	H(C[5]B[5]P[5]H)	H(C[5]B[5]P[5]H)	C[5](B[5]C[6a]2N[5])(P[5]C[5]CC)(H)2{5|C<3>}	H(C[5]B[5]P[5]H)	H(C[5]B[5]P[5]H)	108.6650	0.000	1	108.5782	0.104	4	108.3545	0.471	15	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	B[5]-4:P[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](B[5]C[6a]2O[5])(P[5]C[5]CC)(H)2	H(C[5]B[5]P[5]H)	H(C[5]B[5]P[5]H)	C[5](B[5]C[6a]2O[5])(P[5]C[5]CC)(H)2{1|N<2>,4|C<3>}	H(C[5]B[5]P[5]H)	H(C[5]B[5]P[5]H)	108.7930	0.000	1	107.3805	3.990	2	108.3545	0.471	15	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	B[5]-4:P[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](B[5]C[6a]2O[5])(P[5]C[5]CC)(H)2	H(C[5]B[5]P[5]H)	H(C[5]B[5]P[5]H)	C[5](B[5]C[6a]2O[5])(P[5]C[5]CC)(H)2{1|O<1>,4|C<3>}	H(C[5]B[5]P[5]H)	H(C[5]B[5]P[5]H)	105.9680	0.000	1	107.3805	3.990	2	108.3545	0.471	15	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,3x5,3x6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,3x5,3x6]B[4x3,3x5,11x6]B[3x3,5,5,6x6]C[3,3x5,3x6])(C[5]C[5]HH)(H)2	H(C[5]C[3,3x5,3x6]C[5]H)	H(C[5]C[3,3x5,3x6]C[5]H)	C[5](C[3,3x5,3x6]B[4x3,3x5,11x6]B[3x3,5,5,6x6]C[3,3x5,3x6])(C[5]C[5]HH)(H)2{1|B<7>,2|B<5>,3|B<6>,4|H<1>}	H(C[5]C[3,3x5,3x6]C[5]H)	H(C[5]C[3,3x5,3x6]C[5]H)	108.7620	0.038	2	108.7620	0.001	2	108.7620	0.001	2	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,4,4,5,4x6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,4,4,5,4x6]C[3,3,4,4,3x5,10x6]B[4x3,4,4x5,15x6]2)(C[5]C[5]HH)(H)2	H(C[5]C[3,4,4,5,4x6]C[5]H)	H(C[5]C[3,4,4,5,4x6]C[5]H)	C[5](C[3,4,4,5,4x6]C[3,3,4,4,3x5,10x6]B[4x3,4,4x5,15x6]2)(C[5]C[5]HH)(H)2{4|H<1>,6|B<6>}	H(C[5]C[3,4,4,5,4x6]C[5]H)	H(C[5]C[3,4,4,5,4x6]C[5]H)	107.6210	0.000	1	107.6210	0.000	1	107.6210	0.000	1	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,4,5,3x6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,4,5,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[3,4,5,3x6])(C[5]C[5]HH)(H)2	H(C[5]C[3,4,5,3x6]C[5]H)	H(C[5]C[3,4,5,3x6]C[5]H)	C[5](C[3,4,5,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[3,4,5,3x6])(C[5]C[5]HH)(H)2{1|Sn<5>,1|B<5>,4|B<6>,4|H<1>}	H(C[5]C[3,4,5,3x6]C[5]H)	H(C[5]C[3,4,5,3x6]C[5]H)	108.9030	0.000	1	108.8390	0.008	2	108.8390	0.008	2	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,4,5,3x6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,4,5,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[3,4,5,3x6])(C[5]C[5]HH)(H)2	H(C[5]C[3,4,5,3x6]C[5]H)	H(C[5]C[3,4,5,3x6]C[5]H)	C[5](C[3,4,5,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[3,4,5,3x6])(C[5]C[5]HH)(H)2{4|H<1>,5|B<6>}	H(C[5]C[3,4,5,3x6]C[5]H)	H(C[5]C[3,4,5,3x6]C[5]H)	108.7750	0.000	1	108.8390	0.008	2	108.8390	0.008	2	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5,5]C[3,5,5]C[3]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[3,5,5]C[5]H)	H(C[5]C[3,5,5]C[5]H)	C[5](C[3,5,5]C[3,5,5]C[3]C[5])(C[5]C[5]HH)(H)2{2|Br<1>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[3,5,5]C[5]H)	H(C[5]C[3,5,5]C[5]H)	108.6760	0.000	1	108.6985	0.001	2	108.8020	0.039	5	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5,5]C[3,5,5]C[3]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[3,5,5]C[5]H)	H(C[5]C[3,5,5]C[5]H)	C[5](C[3,5,5]C[3,5,5]C[3]C[5])(C[5]C[5]HH)(H)2{2|Br<1>,2|H<1>,3|C<3>}	H(C[5]C[3,5,5]C[5]H)	H(C[5]C[3,5,5]C[5]H)	108.7210	0.000	1	108.6985	0.001	2	108.8020	0.039	5	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5,5]C[3,5,5]C[5,5]C[3])(C[5]C[5]HH)(H)2	H(C[5]C[3,5,5]C[5]H)	H(C[5]C[3,5,5]C[5]H)	C[5](C[3,5,5]C[3,5,5]C[5,5]C[3])(C[5]C[5]HH)(H)2{2|Br<1>,1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[3,5,5]C[5]H)	H(C[5]C[3,5,5]C[5]H)	108.7530	0.194	2	108.7530	0.038	2	108.8020	0.039	5	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5,5]C[5,5,6]C[3,5]C[3])(C[5]N[5,6]HH)(H)2	H(C[5]C[3,5,5]C[5]H)	H(C[5]C[3,5,5]C[5]H)	C[5](C[3,5,5]C[5,5,6]C[3,5]C[3])(C[5]N[5,6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[3,5,5]C[5]H)	H(C[5]C[3,5,5]C[5]H)	109.1070	0.000	1	109.1070	0.000	1	108.8020	0.039	5	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5,6]-4:C[3,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[3,5]C[3,5]C[3]C)(H)2	H(C[5]C[3,5,6]C[3,5]H)	H(C[5]C[3,5,6]C[3,5]H)	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[3,5]C[3,5]C[3]C)(H)2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[5]C[3,5,6]C[3,5]H)	H(C[5]C[3,5,6]C[3,5]H)	108.5360	0.000	1	108.5360	0.000	1	108.5360	0.000	1	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5,6]-4:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5,6]C[3,5,6]C[6]O[3])(C[5,5]C[5,6a]C[5]2)(H)2	H(C[5]C[3,5,6]C[5,5]H)	H(C[5]C[3,5,6]C[5,5]H)	C[5](C[3,5,6]C[3,5,6]C[6]O[3])(C[5,5]C[5,6a]C[5]2)(H)2{1|O<1>,2|C<3>,2|H<1>,2|N<3>,3|C<4>}	H(C[5]C[3,5,6]C[5,5]H)	H(C[5]C[3,5,6]C[5,5]H)	108.8070	0.000	1	108.8070	0.000	1	108.8070	0.000	1	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5,6]C[3,5,6]C[3]C[6])(C[5,6]C[5,6]C[6]H)(H)2	H(C[5]C[3,5,6]C[5,6]H)	H(C[5]C[3,5,6]C[5,6]H)	C[5](C[3,5,6]C[3,5,6]C[3]C[6])(C[5,6]C[5,6]C[6]H)(H)2{2|Cl<1>,4|C<4>,5|H<1>}	H(C[5]C[3,5,6]C[5,6]H)	H(C[5]C[3,5,6]C[5,6]H)	109.3380	0.000	1	109.3380	0.000	1	109.3893	2.836	4	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5,6]C[3,5,6]C[6]O[3])(C[5,6]C[5,6]C[6]H)(H)2	H(C[5]C[3,5,6]C[5,6]H)	H(C[5]C[3,5,6]C[5,6]H)	C[5](C[3,5,6]C[3,5,6]C[6]O[3])(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,2|O<1>,4|C<3>}	H(C[5]C[3,5,6]C[5,6]H)	H(C[5]C[3,5,6]C[5,6]H)	107.8230	0.000	1	107.8230	0.000	1	109.3893	2.836	4	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5,6]C[3,6]C[5,6]O[3])(C[5,6]N[5,6]C[6]H)(H)2	H(C[5]C[3,5,6]C[5,6]H)	H(C[5]C[3,5,6]C[5,6]H)	C[5](C[3,5,6]C[3,6]C[5,6]O[3])(C[5,6]N[5,6]C[6]H)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[3,5,6]C[5,6]H)	H(C[5]C[3,5,6]C[5,6]H)	110.1980	2.178	2	110.1980	4.743	2	109.3893	2.836	4	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5,6]C[3,5,6]C[3]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[3,5,6]C[5]H)	H(C[5]C[3,5,6]C[5]H)	C[5](C[3,5,6]C[3,5,6]C[3]C[6])(C[5]C[5]HH)(H)2{1|F<1>,3|C<3>,3|H<1>}	H(C[5]C[3,5,6]C[5]H)	H(C[5]C[3,5,6]C[5]H)	108.6600	0.000	1	108.5977	0.006	3	108.8623	0.475	21	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5,6]C[3,5,6]C[3]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[3,5,6]C[5]H)	H(C[5]C[3,5,6]C[5]H)	C[5](C[3,5,6]C[3,5,6]C[3]C[6])(C[5]C[5]HH)(H)2{2|Cl<1>,2|C<3>,3|H<1>}	H(C[5]C[3,5,6]C[5]H)	H(C[5]C[3,5,6]C[5]H)	108.5665	0.077	2	108.5977	0.006	3	108.8623	0.475	21	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5,6]C[3,5,6]C[6,6]C[3])(C[5]C[5]HH)(H)2	H(C[5]C[3,5,6]C[5]H)	H(C[5]C[3,5,6]C[5]H)	C[5](C[3,5,6]C[3,5,6]C[6,6]C[3])(C[5]C[5]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[3,5,6]C[5]H)	H(C[5]C[3,5,6]C[5]H)	108.7470	0.000	1	108.7470	0.000	1	108.8623	0.475	21	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5,6]C[3,5,6]C[6]O[3])(C[5]C[5]HH)(H)2	H(C[5]C[3,5,6]C[5]H)	H(C[5]C[3,5,6]C[5]H)	C[5](C[3,5,6]C[3,5,6]C[6]O[3])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[3,5,6]C[5]H)	H(C[5]C[3,5,6]C[5]H)	108.9090	0.000	1	108.9290	0.000	3	108.8623	0.475	21	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5,6]C[3,5,6]C[6]O[3])(C[5]C[5]HH)(H)2	H(C[5]C[3,5,6]C[5]H)	H(C[5]C[3,5,6]C[5]H)	C[5](C[3,5,6]C[3,5,6]C[6]O[3])(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	H(C[5]C[3,5,6]C[5]H)	H(C[5]C[3,5,6]C[5]H)	108.9390	0.010	2	108.9290	0.000	3	108.8623	0.475	21	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5,6]HH)(H)2	H(C[5]C[3,5,6]C[5]H)	H(C[5]C[3,5,6]C[5]H)	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[5]C[3,5,6]C[5]H)	H(C[5]C[3,5,6]C[5]H)	108.8180	0.000	1	108.8180	0.000	1	108.8623	0.475	21	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5]CH)(H)2	H(C[5]C[3,5,6]C[5]H)	H(C[5]C[3,5,6]C[5]H)	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5]CH)(H)2{1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[3,5,6]C[5]H)	H(C[5]C[3,5,6]C[5]H)	108.4300	0.000	1	108.4300	0.000	1	108.8623	0.475	21	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[3,5,6]C[5]H)	H(C[5]C[3,5,6]C[5]H)	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[3,5,6]C[5]H)	H(C[5]C[3,5,6]C[5]H)	108.8220	0.000	1	108.9234	1.251	8	108.8623	0.475	21	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[3,5,6]C[5]H)	H(C[5]C[3,5,6]C[5]H)	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,1|S<4>,2|H<1>,3|C<4>}	H(C[5]C[3,5,6]C[5]H)	H(C[5]C[3,5,6]C[5]H)	108.6340	0.144	2	108.9234	1.251	8	108.8623	0.475	21	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[3,5,6]C[5]H)	H(C[5]C[3,5,6]C[5]H)	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[5]C[3,5,6]C[5]H)	H(C[5]C[3,5,6]C[5]H)	109.7030	0.245	4	108.9234	1.251	8	108.8623	0.475	21	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[3,5,6]C[5]H)	H(C[5]C[3,5,6]C[5]H)	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5]HH)(H)2{3|C<3>,4|H<1>}	H(C[5]C[3,5,6]C[5]H)	H(C[5]C[3,5,6]C[5]H)	106.4850	0.000	1	108.9234	1.251	8	108.8623	0.475	21	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5,6]C[3,6]C[5,6]C[3])(C[5]C[5]HH)(H)2	H(C[5]C[3,5,6]C[5]H)	H(C[5]C[3,5,6]C[5]H)	C[5](C[3,5,6]C[3,6]C[5,6]C[3])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[3,5,6]C[5]H)	H(C[5]C[3,5,6]C[5]H)	108.8230	0.000	1	108.8230	0.000	1	108.8623	0.475	21	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5,6]C[3,6]C[5,6]O[3])(C[5]C[5]C[6]H)(H)2	H(C[5]C[3,5,6]C[5]H)	H(C[5]C[3,5,6]C[5]H)	C[5](C[3,5,6]C[3,6]C[5,6]O[3])(C[5]C[5]C[6]H)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[5]C[3,5,6]C[5]H)	H(C[5]C[3,5,6]C[5]H)	109.1840	0.000	1	109.1840	0.000	1	108.8623	0.475	21	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5,6]C[3,6]C[5,6]O[3])(C[5]C[5]HH)(H)2	H(C[5]C[3,5,6]C[5]H)	H(C[5]C[3,5,6]C[5]H)	C[5](C[3,5,6]C[3,6]C[5,6]O[3])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[3,5,6]C[5]H)	H(C[5]C[3,5,6]C[5]H)	109.2760	0.000	1	109.0695	0.085	2	108.8623	0.475	21	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5,6]C[3,6]C[5,6]O[3])(C[5]C[5]HH)(H)2	H(C[5]C[3,5,6]C[5]H)	H(C[5]C[3,5,6]C[5]H)	C[5](C[3,5,6]C[3,6]C[5,6]O[3])(C[5]C[5]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[3,5,6]C[5]H)	H(C[5]C[3,5,6]C[5]H)	108.8630	0.000	1	109.0695	0.085	2	108.8623	0.475	21	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[3,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[6a]C[3])(C[3,5]C[3,5]C[3]H)(H)2	H(C[5]C[3,5]2H)	H(C[5]C[3,5]2H)	C[5](C[3,5]C[3,5]C[6a]C[3])(C[3,5]C[3,5]C[3]H)(H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[3,5]2H)	H(C[5]C[3,5]2H)	109.3920	0.000	1	109.3920	0.000	1	109.4035	0.000	2	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[3,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]C)(C[3,5]C[3,5]O[3]H)(H)2	H(C[5]C[3,5]2H)	H(C[5]C[3,5]2H)	C[5](C[3,5]C[3,5]O[3]C)(C[3,5]C[3,5]O[3]H)(H)2{2|C<4>}	H(C[5]C[3,5]2H)	H(C[5]C[3,5]2H)	109.4150	0.000	1	109.4150	0.000	1	109.4035	0.000	2	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5,5]C[5,5]C[5]O)(H)2	H(C[5]C[3,5]C[5,5]H)	H(C[5]C[3,5]C[5,5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5,5]C[5,5]C[5]O)(H)2{1|C<4>,1|F<1>,2|O<2>,4|H<1>}	H(C[5]C[3,5]C[5,5]H)	H(C[5]C[3,5]C[5,5]H)	108.7710	0.000	1	105.6135	19.940	2	107.1880	9.952	4	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5,5]C[5,5]C[5]O)(H)2	H(C[5]C[3,5]C[5,5]H)	H(C[5]C[3,5]C[5,5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5,5]C[5,5]C[5]O)(H)2{1|C<4>,2|O<2>,5|H<1>}	H(C[5]C[3,5]C[5,5]H)	H(C[5]C[3,5]C[5,5]H)	102.4560	0.000	1	105.6135	19.940	2	107.1880	9.952	4	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(C[5,5]C[5,5]O[5]H)(H)2	H(C[5]C[3,5]C[5,5]H)	H(C[5]C[3,5]C[5,5]H)	C[5](C[3,5]C[3,5]O[3]H)(C[5,5]C[5,5]O[5]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[3,5]C[5,5]H)	H(C[5]C[3,5]C[5,5]H)	108.7620	0.000	1	108.7620	0.000	1	107.1880	9.952	4	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3]C[5]O[3])(C[5,5]C[5,5]2H)(H)2	H(C[5]C[3,5]C[5,5]H)	H(C[5]C[3,5]C[5,5]H)	C[5](C[3,5]C[3]C[5]O[3])(C[5,5]C[5,5]2H)(H)2{1|O<2>,3|H<1>,5|C<4>}	H(C[5]C[3,5]C[5,5]H)	H(C[5]C[3,5]C[5,5]H)	108.7630	0.000	1	108.7630	0.000	1	107.1880	9.952	4	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(C[5,6]C[5,6]C[6]H)(H)2	H(C[5]C[3,5]C[5,6]H)	H(C[5]C[3,5]C[5,6]H)	C[5](C[3,5]C[3,5]C[3]C)(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[5]C[3,5]C[5,6]H)	H(C[5]C[3,5]C[5,6]H)	108.6390	0.064	2	108.6390	0.004	2	108.9113	0.225	3	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[5,6]C[3]O[3])(C[5,6]O[5,6]C[6]C)(H)2	H(C[5]C[3,5]C[5,6]H)	H(C[5]C[3,5]C[5,6]H)	C[5](C[3,5]C[5,6]C[3]O[3])(C[5,6]O[5,6]C[6]C)(H)2{3|C<4>,4|H<1>}	H(C[5]C[3,5]C[5,6]H)	H(C[5]C[3,5]C[5,6]H)	109.4560	0.000	1	109.4560	0.000	1	108.9113	0.225	3	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5,5]C[3,5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5,5]C[3,5]H)(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	108.9710	0.038	2	108.9320	0.005	3	108.2332	16.461	123	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5,5]C[3,5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5,5]C[3,5]H)(C[5]C[5,5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	108.8540	0.000	1	108.9320	0.005	3	108.2332	16.461	123	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5,5]C[3]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5,5]C[3]H)(C[5]C[5,5]HH)(H)2{2|C<4>,3|H<1>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	108.8320	0.000	1	108.8320	0.000	1	108.2332	16.461	123	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5,5]C[3]Si)(C[5]C[5,5]HH)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5,5]C[3]Si)(C[5]C[5,5]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	108.6220	0.000	1	108.6220	0.000	1	108.2332	16.461	123	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5,6,6]2C[5,6a])(C[5]C[5,6a]HH)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5,6,6]2C[5,6a])(C[5]C[5,6a]HH)(H)2{6|C<3>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	109.1470	0.000	1	109.1470	0.000	1	108.2332	16.461	123	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5,6]C[3,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5,6]C[3,6]H)(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	106.3130	0.000	1	106.3130	0.000	1	108.2332	16.461	123	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5,6]C[3]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5,6]C[3]H)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	108.8488	0.036	6	108.5576	1.652	16	108.2332	16.461	123	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5,6]C[3]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5,6]C[3]H)(C[5]C[5,6]HH)(H)2{2|H<1>,3|C<4>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	108.3829	1.632	10	108.5576	1.652	16	108.2332	16.461	123	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5,6]O[3]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5,6]O[3]C)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	108.7940	0.000	1	108.8530	0.007	2	108.2332	16.461	123	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5,6]O[3]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5,6]O[3]C)(C[5]C[5,6]HH)(H)2{2|C<3>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	108.9120	0.000	1	108.8530	0.007	2	108.2332	16.461	123	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5,6]O[3]H)(C[5]C[5,6]CH)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5,6]O[3]H)(C[5]C[5,6]CH)(H)2{3|C<4>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	109.2730	0.000	1	109.2730	0.000	1	108.2332	16.461	123	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5,6]O[3]H)(C[5]C[5,6]C[5]H)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5,6]O[3]H)(C[5]C[5,6]C[5]H)(H)2{2|C<3>,3|C<4>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	109.1325	0.032	2	109.1325	0.001	2	108.2332	16.461	123	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5,6]O[3]H)(C[5]C[5,6]C[5a]H)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5,6]O[3]H)(C[5]C[5,6]C[5a]H)(H)2{2|C<3>,3|C<4>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	109.0735	0.002	2	109.0735	0.000	2	108.2332	16.461	123	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5,6]O[3]H)(C[5]C[5,6]HO)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5,6]O[3]H)(C[5]C[5,6]HO)(H)2{1|O<2>,2|C<4>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	109.0390	0.021	2	109.0390	0.000	2	108.2332	16.461	123	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]2H)(C[5]C[5]HH)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]2H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	108.2260	7.519	2	108.2260	56.541	2	108.2332	16.461	123	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3,6]H)(C[5]C[5]CC)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3,6]H)(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	102.4580	0.000	1	102.4580	0.000	1	108.2332	16.461	123	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]2)(C[5]C[5]SS)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]2)(C[5]C[5]SS)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	108.6150	0.034	2	108.6150	0.001	2	108.2332	16.461	123	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]Br)(C[5]C[5]HH)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]Br)(C[5]C[5]HH)(H)2{1|O<1>,1|S<4>,2|H<1>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	88.0339	29.631	2	88.0339	877.985	2	108.2332	16.461	123	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5,6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	108.7860	0.000	1	108.7860	0.000	1	108.2332	16.461	123	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]CC)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]CC)(H)2{1|C<3>,4|H<1>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	109.6890	0.000	1	109.6890	0.000	1	108.2332	16.461	123	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	108.7550	0.000	1	107.4397	3.974	6	108.2332	16.461	123	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(H)2{1|N<2>,1|S<4>,2|H<1>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	107.9170	0.000	1	107.4397	3.974	6	108.2332	16.461	123	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(H)2{1|O<1>,1|S<4>,2|H<1>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	103.5710	0.000	1	107.4397	3.974	6	108.2332	16.461	123	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(H)2{1|O<1>,3|H<1>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	108.7620	0.000	1	107.4397	3.974	6	108.2332	16.461	123	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(H)2{2|C<3>,3|H<1>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	107.8165	0.957	2	107.4397	3.974	6	108.2332	16.461	123	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5,5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	108.9290	0.000	1	108.6630	0.140	3	108.2332	16.461	123	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5,5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	108.5300	0.417	2	108.6630	0.140	3	108.2332	16.461	123	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	108.7560	0.000	1	109.0063	0.241	3	108.2332	16.461	123	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	108.6910	0.000	1	109.0063	0.241	3	108.2332	16.461	123	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(H)2{2|C<3>,3|H<1>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	109.5720	0.000	1	109.0063	0.241	3	108.2332	16.461	123	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CH)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CH)(H)2{1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	109.9620	0.000	1	111.5565	5.085	2	108.2332	16.461	123	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CH)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CH)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	113.1510	0.000	1	111.5565	5.085	2	108.2332	16.461	123	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	108.8250	0.000	2	108.2494	3.282	20	108.2332	16.461	123	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	108.6130	0.000	1	108.2494	3.282	20	108.2332	16.461	123	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	109.4270	0.000	1	108.2494	3.282	20	108.2332	16.461	123	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	108.4420	0.503	2	108.2494	3.282	20	108.2332	16.461	123	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	108.8260	0.000	1	108.2494	3.282	20	108.2332	16.461	123	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2{1|N<3>,1|O<1>,2|H<1>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	108.7774	0.095	5	108.2494	3.282	20	108.2332	16.461	123	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	109.4440	0.000	1	108.2494	3.282	20	108.2332	16.461	123	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2{1|O<1>,1|P<4>,2|C<4>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	108.6470	0.000	1	108.2494	3.282	20	108.2332	16.461	123	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2{1|O<1>,1|S<4>,2|C<4>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	108.9410	0.000	1	108.2494	3.282	20	108.2332	16.461	123	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2{1|O<1>,1|S<4>,2|H<1>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	104.7430	5.259	2	108.2494	3.282	20	108.2332	16.461	123	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2{2|C<3>,3|H<1>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	107.7273	1.216	3	108.2494	3.282	20	108.2332	16.461	123	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HO)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HO)(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	108.6080	0.000	1	108.6080	0.000	1	108.2332	16.461	123	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]SS)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]SS)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	108.6930	0.066	2	108.6930	0.004	2	108.2332	16.461	123	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]N[6]O[5]H)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]N[6]O[5]H)(H)2{1|C<4>,2|C<3>,2|F<1>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	109.0790	0.000	1	109.0790	0.000	1	108.2332	16.461	123	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]N[6a]O[5]H)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]N[6a]O[5]H)(H)2{1|C<4>,2|C<3>,2|F<1>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	108.8230	0.000	1	108.8230	0.000	1	108.2332	16.461	123	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]O[5]HH)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]O[5]HH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	108.8640	0.000	1	108.8640	0.000	1	108.2332	16.461	123	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]S[5]HH)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]S[5]HH)(H)2{1|C<3>,1|O<1>,2|H<1>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	108.5560	0.000	1	108.5560	0.000	1	108.2332	16.461	123	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]N[3]H)(C[5]C[5]HH)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]N[3]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	108.8590	0.000	1	108.8590	0.000	1	108.2332	16.461	123	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	108.7220	0.000	1	108.7220	0.000	1	108.2332	16.461	123	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]HH)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]HH)(H)2{1|H<1>,2|C<4>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	108.7908	0.185	9	108.8055	0.027	15	108.2332	16.461	123	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]HH)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]HH)(H)2{1|N<3>,2|H<1>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	108.8183	0.166	4	108.8055	0.027	15	108.2332	16.461	123	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]HH)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	108.8465	0.101	2	108.8055	0.027	15	108.2332	16.461	123	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]CH)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]CH)(H)2{3|C<4>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	108.9190	0.000	1	108.9190	0.000	1	108.2332	16.461	123	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(H)2{1|N<3>,2|H<1>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	109.0170	0.176	3	109.0170	0.031	3	108.2332	16.461	123	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]S[3]H)(C[5]C[5]CS)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]S[3]H)(C[5]C[5]CS)(H)2{1|O<1>,3|H<1>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	109.0635	0.078	2	109.0635	0.006	2	108.2332	16.461	123	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3]2C[5])(C[5]C[5]HH)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3]2C[5])(C[5]C[5]HH)(H)2{1|C<3>,7|H<1>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	108.8830	0.079	2	108.8830	0.006	2	108.2332	16.461	123	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3]2C[5])(C[5]C[6a]C[5]C)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3]2C[5])(C[5]C[6a]C[5]C)(H)2{3|C<3>,7|H<1>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	108.0400	0.000	1	108.0400	0.000	1	108.2332	16.461	123	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3]2C[5])(C[5]O[5]HH)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3]2C[5])(C[5]O[5]HH)(H)2{1|C<3>,1|O<1>,3|H<1>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	109.2850	0.004	2	109.2850	0.000	2	108.2332	16.461	123	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3]2N[5])(C[5]C[6a]C[5]C)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3]2N[5])(C[5]C[6a]C[5]C)(H)2{1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	108.9790	0.000	1	108.9790	0.000	1	108.2332	16.461	123	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3]2O[5])(C[5]C[6a]C[5]C)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3]2O[5])(C[5]C[6a]C[5]C)(H)2{3|C<3>,5|H<1>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	101.5330	0.000	1	101.5330	0.000	1	108.2332	16.461	123	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3]C[5]O[3])(C[5]C[5]HH)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3]C[5]O[3])(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	108.8120	0.000	1	108.8120	0.000	1	108.2332	16.461	123	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[4,5]C[3]2)(C[5]N[5]HH)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[4,5]C[3]2)(C[5]N[5]HH)(H)2{2|F<1>,2|H<1>,3|C<4>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	109.0360	0.000	1	109.0360	0.000	1	108.2332	16.461	123	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[5,5]C[3]2)(C[5]C[5,5]C[6a]C)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[5,5]C[3]2)(C[5]C[5,5]C[6a]C)(H)2{1|C<4>,3|C<3>,6|H<1>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	109.3850	0.000	1	109.3850	0.000	1	108.2332	16.461	123	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[5,6a]B[3,3]2)(C[5]C[5,6a]HP)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[5,6a]B[3,3]2)(C[5]C[5,6a]HP)(H)2{1|H<2>,6|C<3>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	108.7160	0.000	1	108.7160	0.000	1	108.2332	16.461	123	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[5,6a]C[3,5]2)(C[5]C[5,6a]HH)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[5,6a]C[3,5]2)(C[5]C[5,6a]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	108.5220	0.000	1	108.5220	0.000	1	108.2332	16.461	123	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[5]O[3]P[3])(C[5]C[5]HH)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[5]O[3]P[3])(C[5]C[5]HH)(H)2{1|C<4>,1|W<6>,4|H<1>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	108.9767	0.100	3	108.9767	0.010	3	108.2332	16.461	123	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]N[3,5]C[3]H)(C[5]C[5]HH)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]N[3,5]C[3]H)(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	108.9915	0.036	2	108.9915	0.001	2	108.2332	16.461	123	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]N[3,5]C[3]H)(C[5]C[5]HO)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]N[3,5]C[3]H)(C[5]C[5]HO)(H)2{1|C<4>,4|H<1>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	108.7990	0.000	1	108.7990	0.000	1	108.2332	16.461	123	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]HH)(H)2	H(C[5]C[3,5]N[5]H)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]HH)(H)2{1|C<3>,4|H<1>}	H(C[5]C[3,5]N[5]H)	H(C[5]C[3,5]N[5]H)	109.0090	0.000	1	109.0090	0.000	1	108.9410	0.009	2	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5]HH)(H)2	H(C[5]C[3,5]N[5]H)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5]HH)(H)2{2|C<3>,5|H<1>}	H(C[5]C[3,5]N[5]H)	H(C[5]C[3,5]N[5]H)	108.8730	0.000	1	108.8730	0.000	1	108.9410	0.009	2	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:P[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5,6]C[3,6]C)(P[5]C[5]CC)(H)2	H(C[5]C[3,5]P[5]H)	H(C[5]C[3,5]P[5]H)	C[5](C[3,5]C[3,5,6]C[3,6]C)(P[5]C[5]CC)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[3,5]P[5]H)	H(C[5]C[3,5]P[5]H)	108.4320	0.000	1	108.4320	0.000	1	108.6250	0.074	2	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:P[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(P[5]C[5]NO)(H)2	H(C[5]C[3,5]P[5]H)	H(C[5]C[3,5]P[5]H)	C[5](C[3,5]C[3,5]O[3]H)(P[5]C[5]NO)(H)2{3|H<1>}	H(C[5]C[3,5]P[5]H)	H(C[5]C[3,5]P[5]H)	108.8180	0.000	1	108.8180	0.000	1	108.6250	0.074	2	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3,5]-4:Si[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]N[3]H)(Si[5]C[6a]2C[5])(H)2	H(C[5]C[3,5]Si[5]H)	H(C[5]C[3,5]Si[5]H)	C[5](C[3,5]C[3,5]N[3]H)(Si[5]C[6a]2C[5])(H)2{1|S<4>,3|H<1>,4|C<3>}	H(C[5]C[3,5]Si[5]H)	H(C[5]C[3,5]Si[5]H)	108.2388	0.951	5	108.2388	0.904	5	108.2388	0.904	5	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]2C[5,6])(C[5,5]C[5,5]O[5]H)(H)2	H(C[5]C[3x5,6]C[5,5]H)	H(C[5]C[3x5,6]C[5,5]H)	C[5](C[3x5,6]C[5,5,6]2C[5,6])(C[5,5]C[5,5]O[5]H)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[3x5,6]C[5,5]H)	H(C[5]C[3x5,6]C[5,5]H)	117.7610	0.000	1	117.7610	0.000	1	117.7610	0.000	1	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[3x5,6]C[5,5]C[5,6])(C[5,6]C[6]2O[5])(H)2	H(C[5]C[3x5,6]C[5,6]H)	H(C[5]C[3x5,6]C[5,6]H)	C[5](C[3x5,6]C[3x5,6]C[5,5]C[5,6])(C[5,6]C[6]2O[5])(H)2{1|O<2>,2|C<3>,3|H<1>,8|C<4>}	H(C[5]C[3x5,6]C[5,6]H)	H(C[5]C[3x5,6]C[5,6]H)	108.8000	0.000	1	108.8000	0.000	1	108.0055	0.682	4	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5,6]C[5,6]C[6]H)(H)2	H(C[5]C[3x5,6]C[5,6]H)	H(C[5]C[3x5,6]C[5,6]H)	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,5|C<4>,6|H<1>}	H(C[5]C[3x5,6]C[5,6]H)	H(C[5]C[3x5,6]C[5,6]H)	108.1325	0.532	2	107.7407	0.602	3	108.0055	0.682	4	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5,6]C[5,6]C[6]H)(H)2	H(C[5]C[3x5,6]C[5,6]H)	H(C[5]C[3x5,6]C[5,6]H)	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5,6]C[5,6]C[6]H)(H)2{2|Cl<1>,2|C<3>,3|C<4>,5|H<1>}	H(C[5]C[3x5,6]C[5,6]H)	H(C[5]C[3x5,6]C[5,6]H)	106.9570	0.000	1	107.7407	0.602	3	108.0055	0.682	4	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5,6a])(C[5]N[5,6]HH)(H)2	H(C[5]C[3x5,6]C[5]H)	H(C[5]C[3x5,6]C[5]H)	C[5](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5,6a])(C[5]N[5,6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>,3|C<3>}	H(C[5]C[3x5,6]C[5]H)	H(C[5]C[3x5,6]C[5]H)	108.7681	0.057	10	108.7681	0.003	10	108.8023	0.108	28	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[3x5,6]C[5,5,6]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[3x5,6]C[5]H)	H(C[5]C[3x5,6]C[5]H)	C[5](C[3x5,6]C[3x5,6]C[5,5,6]O[5])(C[5]C[5]HH)(H)2{2|C<3>,5|C<4>}	H(C[5]C[3x5,6]C[5]H)	H(C[5]C[3x5,6]C[5]H)	107.3500	0.000	1	107.3500	0.000	1	108.8023	0.108	28	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[3x5,6]C[5,5]C[5,6])(C[5]N[5]HH)(H)2	H(C[5]C[3x5,6]C[5]H)	H(C[5]C[3x5,6]C[5]H)	C[5](C[3x5,6]C[3x5,6]C[5,5]C[5,6])(C[5]N[5]HH)(H)2{1|H<1>,1|O<1>,1|S<2>,2|C<3>,3|C<4>}	H(C[5]C[3x5,6]C[5]H)	H(C[5]C[3x5,6]C[5]H)	108.7440	0.000	1	108.7440	0.000	1	108.8023	0.108	28	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[3x5,6]C[5,6]O[5,6])(C[5]C[5]HH)(H)2	H(C[5]C[3x5,6]C[5]H)	H(C[5]C[3x5,6]C[5]H)	C[5](C[3x5,6]C[3x5,6]C[5,6]O[5,6])(C[5]C[5]HH)(H)2{1|H<1>,7|C<4>}	H(C[5]C[3x5,6]C[5]H)	H(C[5]C[3x5,6]C[5]H)	108.9020	0.000	1	108.9020	0.000	1	108.8023	0.108	28	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]2C[5,5])(C[5]C[5]HH)(H)2	H(C[5]C[3x5,6]C[5]H)	H(C[5]C[3x5,6]C[5]H)	C[5](C[3x5,6]C[5,5,6]2C[5,5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[3x5,6]C[5]H)	H(C[5]C[3x5,6]C[5]H)	108.8620	0.000	1	108.8620	0.000	1	108.8023	0.108	28	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5]C[5]HH)(H)2	H(C[5]C[3x5,6]C[5]H)	H(C[5]C[3x5,6]C[5]H)	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[3x5,6]C[5]H)	H(C[5]C[3x5,6]C[5]H)	108.8280	0.000	1	108.7565	0.010	2	108.8023	0.108	28	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5]C[5]HH)(H)2	H(C[5]C[3x5,6]C[5]H)	H(C[5]C[3x5,6]C[5]H)	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5]C[5]HH)(H)2{3|C<4>,7|H<1>}	H(C[5]C[3x5,6]C[5]H)	H(C[5]C[3x5,6]C[5]H)	108.6850	0.000	1	108.7565	0.010	2	108.8023	0.108	28	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5]O[5]CH)(H)2	H(C[5]C[3x5,6]C[5]H)	H(C[5]C[3x5,6]C[5]H)	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5]O[5]CH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[5]C[3x5,6]C[5]H)	H(C[5]C[3x5,6]C[5]H)	109.0775	0.082	4	109.0775	0.007	4	108.8023	0.108	28	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5]C[5]CC)(H)2	H(C[5]C[3x5,6]C[5]H)	H(C[5]C[3x5,6]C[5]H)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5]C[5]CC)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[3x5,6]C[5]H)	H(C[5]C[3x5,6]C[5]H)	108.6710	0.000	1	108.6710	0.000	1	108.8023	0.108	28	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]O[5,5]O[5,6])(C[5]C[5]HH)(H)2	H(C[5]C[3x5,6]C[5]H)	H(C[5]C[3x5,6]C[5]H)	C[5](C[3x5,6]C[5,5,6]O[5,5]O[5,6])(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[3x5,6]C[5]H)	H(C[5]C[3x5,6]C[5]H)	108.5300	0.000	1	108.5300	0.000	1	108.8023	0.108	28	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5a,6]C[3x5]C[5,6])(C[5]C[5]HH)(H)2	H(C[5]C[3x5,6]C[5]H)	H(C[5]C[3x5,6]C[5]H)	C[5](C[3x5,6]C[5,5a,6]C[3x5]C[5,6])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[3x5,6]C[5]H)	H(C[5]C[3x5,6]C[5]H)	109.0265	0.006	2	109.0265	0.000	2	108.8023	0.108	28	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,6,6a]C[5,5,6]O[5,5])(C[5]C[5]HH)(H)2	H(C[5]C[3x5,6]C[5]H)	H(C[5]C[3x5,6]C[5]H)	C[5](C[3x5,6]C[5,6,6a]C[5,5,6]O[5,5])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[3x5,6]C[5]H)	H(C[5]C[3x5,6]C[5]H)	108.8170	0.202	2	108.8170	0.041	2	108.8023	0.108	28	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5,6]N[5,5,6]C[5,5]C[5,6])(C[5]C[5]HH)(H)2	H(C[5]C[3x5,6]C[5]H)	H(C[5]C[3x5,6]C[5]H)	C[5](C[3x5,6]N[5,5,6]C[5,5]C[5,6])(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,2|C<4>,4|H<1>}	H(C[5]C[3x5,6]C[5]H)	H(C[5]C[3x5,6]C[5]H)	109.1400	0.000	1	109.1070	0.002	2	108.8023	0.108	28	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5,6]N[5,5,6]C[5,5]C[5,6])(C[5]C[5]HH)(H)2	H(C[5]C[3x5,6]C[5]H)	H(C[5]C[3x5,6]C[5]H)	C[5](C[3x5,6]N[5,5,6]C[5,5]C[5,6])(C[5]C[5]HH)(H)2{2|C<4>,2|N<2>,4|H<1>}	H(C[5]C[3x5,6]C[5]H)	H(C[5]C[3x5,6]C[5]H)	109.0740	0.000	1	109.1070	0.002	2	108.8023	0.108	28	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[3x5,6]C[5,5]C[5,6])(S[5]N[5,5]OO)(H)2	H(C[5]C[3x5,6]S[5]H)	H(C[5]C[3x5,6]S[5]H)	C[5](C[3x5,6]C[3x5,6]C[5,5]C[5,6])(S[5]N[5,5]OO)(H)2{1|C<3>,1|O<2>,2|H<1>,5|C<4>}	H(C[5]C[3x5,6]S[5]H)	H(C[5]C[3x5,6]S[5]H)	112.6190	0.000	1	111.8720	1.116	2	108.8317	1.853	70	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[3x5,6]C[5,5]C[5,6])(S[5]N[5,5]OO)(H)2	H(C[5]C[3x5,6]S[5]H)	H(C[5]C[3x5,6]S[5]H)	C[5](C[3x5,6]C[3x5,6]C[5,5]C[5,6])(S[5]N[5,5]OO)(H)2{1|O<2>,2|H<1>,6|C<4>}	H(C[5]C[3x5,6]S[5]H)	H(C[5]C[3x5,6]S[5]H)	111.1250	0.000	1	111.8720	1.116	2	108.8317	1.853	70	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6,6]C[5,5]C[5,6])(S[5]N[5,6]OO)(H)2	H(C[5]C[3x5,6]S[5]H)	H(C[5]C[3x5,6]S[5]H)	C[5](C[3x5,6]C[5,5,6,6]C[5,5]C[5,6])(S[5]N[5,6]OO)(H)2{1|C<3>,1|O<2>,2|H<1>,5|C<4>}	H(C[5]C[3x5,6]S[5]H)	H(C[5]C[3x5,6]S[5]H)	112.9580	0.000	1	113.6315	0.907	2	108.8317	1.853	70	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6,6]C[5,5]C[5,6])(S[5]N[5,6]OO)(H)2	H(C[5]C[3x5,6]S[5]H)	H(C[5]C[3x5,6]S[5]H)	C[5](C[3x5,6]C[5,5,6,6]C[5,5]C[5,6])(S[5]N[5,6]OO)(H)2{1|O<2>,2|H<1>,6|C<4>}	H(C[5]C[3x5,6]S[5]H)	H(C[5]C[3x5,6]S[5]H)	114.3050	0.000	1	113.6315	0.907	2	108.8317	1.853	70	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(S[5]N[5]OO)(H)2	H(C[5]C[3x5,6]S[5]H)	H(C[5]C[3x5,6]S[5]H)	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(S[5]N[5]OO)(H)2{1|C<3>,3|H<1>,5|C<4>}	H(C[5]C[3x5,6]S[5]H)	H(C[5]C[3x5,6]S[5]H)	108.4648	0.457	57	108.5877	0.926	63	108.8317	1.853	70	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(S[5]N[5]OO)(H)2	H(C[5]C[3x5,6]S[5]H)	H(C[5]C[3x5,6]S[5]H)	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(S[5]N[5]OO)(H)2{1|S<2>,3|H<1>,5|C<4>}	H(C[5]C[3x5,6]S[5]H)	H(C[5]C[3x5,6]S[5]H)	108.6268	0.107	4	108.5877	0.926	63	108.8317	1.853	70	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(S[5]N[5]OO)(H)2	H(C[5]C[3x5,6]S[5]H)	H(C[5]C[3x5,6]S[5]H)	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(S[5]N[5]OO)(H)2{2|H<1>,5|C<4>}	H(C[5]C[3x5,6]S[5]H)	H(C[5]C[3x5,6]S[5]H)	115.2830	0.000	1	108.5877	0.926	63	108.8317	1.853	70	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(S[5]N[5]OO)(H)2	H(C[5]C[3x5,6]S[5]H)	H(C[5]C[3x5,6]S[5]H)	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(S[5]N[5]OO)(H)2{3|H<1>,6|C<4>}	H(C[5]C[3x5,6]S[5]H)	H(C[5]C[3x5,6]S[5]H)	108.7420	0.000	1	108.5877	0.926	63	108.8317	1.853	70	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(S[5]O[5]OO)(H)2	H(C[5]C[3x5,6]S[5]H)	H(C[5]C[3x5,6]S[5]H)	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(S[5]O[5]OO)(H)2{3|H<1>,5|C<4>}	H(C[5]C[3x5,6]S[5]H)	H(C[5]C[3x5,6]S[5]H)	108.8590	0.000	1	108.8590	0.000	1	108.8317	1.853	70	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(S[5]C[5]OO)(H)2	H(C[5]C[3x5,6]S[5]H)	H(C[5]C[3x5,6]S[5]H)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(S[5]C[5]OO)(H)2{1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[3x5,6]S[5]H)	H(C[5]C[3x5,6]S[5]H)	108.7280	0.000	1	108.6625	0.009	2	108.8317	1.853	70	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(S[5]C[5]OO)(H)2	H(C[5]C[3x5,6]S[5]H)	H(C[5]C[3x5,6]S[5]H)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(S[5]C[5]OO)(H)2{1|Cl<1>,1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[3x5,6]S[5]H)	H(C[5]C[3x5,6]S[5]H)	108.5970	0.000	1	108.6625	0.009	2	108.8317	1.853	70	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3x5]-4:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,5,6]C[5,5]C[5])(C[5,5]C[5]O[5]2)(H)2	H(C[5]C[3x5]C[5,5]H)	H(C[5]C[3x5]C[5,5]H)	C[5](C[3x5]C[5,5,6]C[5,5]C[5])(C[5,5]C[5]O[5]2)(H)2{1|C<3>,4|H<1>,7|C<4>}	H(C[5]C[3x5]C[5,5]H)	H(C[5]C[3x5]C[5,5]H)	108.8390	0.000	1	108.8390	0.000	1	108.6783	0.023	3	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3x5]-4:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,5]2C[5,6])(C[5,5]C[5,5]O[5]H)(H)2	H(C[5]C[3x5]C[5,5]H)	H(C[5]C[3x5]C[5,5]H)	C[5](C[3x5]C[5,5]2C[5,6])(C[5,5]C[5,5]O[5]H)(H)2{1|N<2>,1|O<2>,2|H<1>,6|C<4>}	H(C[5]C[3x5]C[5,5]H)	H(C[5]C[3x5]C[5,5]H)	108.5980	0.088	2	108.5980	0.008	2	108.6783	0.023	3	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3x5]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5]C[3x5]C[5]2)(C[5,6]C[5,6]C[6]O)(H)2	H(C[5]C[3x5]C[5,6]H)	H(C[5]C[3x5]C[5,6]H)	C[5](C[3x5]C[3x5]C[5]2)(C[5,6]C[5,6]C[6]O)(H)2{2|C<3>,2|O<2>,4|H<1>,5|C<4>}	H(C[5]C[3x5]C[5,6]H)	H(C[5]C[3x5]C[5,6]H)	110.1920	0.000	1	110.1920	0.000	1	109.4360	1.143	2	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3x5]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5]C[3x5]C[5]O[5])(C[5,6]C[5,6]C[6]O)(H)2	H(C[5]C[3x5]C[5,6]H)	H(C[5]C[3x5]C[5,6]H)	C[5](C[3x5]C[3x5]C[5]O[5])(C[5,6]C[5,6]C[6]O)(H)2{1|C<4>,2|O<2>,3|C<3>,5|H<1>}	H(C[5]C[3x5]C[5,6]H)	H(C[5]C[3x5]C[5,6]H)	108.6800	0.000	1	108.6800	0.000	1	109.4360	1.143	2	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5]C[3x5,6,6]2C[5])(C[5]C[5]HH)(H)2	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[3x5,6,6]2C[5])(C[5]C[5]HH)(H)2{4|C<4>,6|H<1>}	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	108.8690	0.000	1	108.8690	0.000	1	108.8988	1.861	58	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5]C[3x5,6]C[5,5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[3x5,6]C[5,5,6]H)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	109.0285	0.056	2	109.0285	0.003	2	108.8988	1.861	58	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5]C[3x5]C[5,6]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[3x5]C[5,6]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	103.4160	0.000	1	106.2320	15.860	2	108.8988	1.861	58	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5]C[3x5]C[5,6]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[3x5]C[5,6]O[5])(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	109.0480	0.000	1	106.2320	15.860	2	108.8988	1.861	58	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[5]HH)(H)2	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,6|H<1>}	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	108.7110	0.000	1	108.8230	0.009	3	108.8988	1.861	58	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[5]HH)(H)2	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	108.8880	0.000	1	108.8230	0.009	3	108.8988	1.861	58	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[5]HH)(H)2	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[5]HH)(H)2{1|N<4>,1|O<2>,2|C<4>,6|H<1>}	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	108.8700	0.000	1	108.8230	0.009	3	108.8988	1.861	58	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5]C[3x5]C[5]2)(C[5]O[5]HO)(H)2	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[3x5]C[5]2)(C[5]O[5]HO)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	109.1340	0.000	1	109.1340	0.000	1	108.8988	1.861	58	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5]C[3x5]C[5]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[3x5]C[5]O[5])(C[5]C[5]HH)(H)2{1|H<1>,3|C<4>,4|C<3>}	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	108.9940	0.000	1	108.9940	0.000	1	108.8988	1.861	58	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5]C[3x5]C[5]O[5])(C[5]O[5]HH)(H)2	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[3x5]C[5]O[5])(C[5]O[5]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	109.1950	0.025	2	109.1950	0.001	2	108.8988	1.861	58	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5]C[3x5]N[5]2)(C[5]C[5]HH)(H)2	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[3x5]N[5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>,2|N<3>}	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	108.9988	0.138	16	108.9988	0.019	16	108.8988	1.861	58	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5]C[3x5]O[5]2)(C[5]C[5]HH)(H)2	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[3x5]O[5]2)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	109.1960	0.000	1	109.1960	0.000	1	108.8988	1.861	58	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,5,6,6]C[5,5,6]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,5,6,6]C[5,5,6]O[5])(C[5]C[5]HH)(H)2{1|H<1>,3|O<2>,4|C<4>}	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	109.5590	0.000	1	109.5590	0.000	1	108.8988	1.861	58	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,5,6]C[5,5]C[5])(C[5]C[5,6]HH)(H)2	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,5,6]C[5,5]C[5])(C[5]C[5,6]HH)(H)2{2|H<1>,3|C<3>,4|C<4>}	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	108.3950	0.000	1	108.3950	0.000	1	108.8988	1.861	58	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,5]2C[5])(C[5]C[5]CC)(H)2	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,5]2C[5])(C[5]C[5]CC)(H)2{2|C<3>,3|C<4>,5|H<1>}	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	108.6380	0.000	1	108.6380	0.000	1	108.8988	1.861	58	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,5]2C[5])(C[5]C[5]HH)(H)2	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,5]2C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	106.7960	0.000	1	109.1087	35.798	3	108.8988	1.861	58	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,5]2C[5])(C[5]C[5]HH)(H)2	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,5]2C[5])(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,5|H<1>}	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	104.6270	0.000	1	109.1087	35.798	3	108.8988	1.861	58	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,5]2C[5])(C[5]C[5]HH)(H)2	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,5]2C[5])(C[5]C[5]HH)(H)2{1|C<3>,4|H<1>,5|C<4>}	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	115.9030	0.000	1	109.1087	35.798	3	108.8988	1.861	58	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,5]2C[5])(C[5]C[5]SiH)(H)2	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,5]2C[5])(C[5]C[5]SiH)(H)2{1|C<3>,4|H<1>,5|C<4>}	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	107.7960	0.000	1	107.7960	0.000	1	108.8988	1.861	58	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,5]2C[5])(C[5]O[5]HH)(H)2	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,5]2C[5])(C[5]O[5]HH)(H)2{3|H<1>,5|C<3>}	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	108.8570	0.000	1	108.8570	0.000	1	108.8988	1.861	58	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	109.1790	0.000	1	108.8942	0.061	4	108.8988	1.861	58	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	109.0180	0.000	1	108.8942	0.061	4	108.8988	1.861	58	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|O<2>,3|H<1>,5|C<4>}	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	108.6900	0.044	2	108.8942	0.061	4	108.8988	1.861	58	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5]O[5]CH)(H)2	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5]O[5]CH)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	109.1933	0.220	4	109.1933	0.048	4	108.8988	1.861	58	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,6a]C[3x5]C[5,5])(C[5]O[5]HH)(H)2	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,6a]C[3x5]C[5,5])(C[5]O[5]HH)(H)2{1|N<3>,6|C<3>}	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	109.3430	0.000	1	109.3430	0.000	1	108.8988	1.861	58	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,2|C<4>,4|C<3>}	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	108.9927	0.108	3	109.0012	0.008	4	108.8988	1.861	58	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5]N[5]HH)(H)2{1|N<3>,1|S<4>,2|H<1>,4|C<3>}	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	109.0270	0.000	1	109.0012	0.008	4	108.8988	1.861	58	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5]O[5]HH)(H)2	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5]O[5]HH)(H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	109.1610	0.000	1	109.1610	0.000	1	108.8988	1.861	58	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,6a]C[5,5]2)(C[5]N[5]HH)(H)2	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,6a]C[5,5]2)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|N<3>}	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	109.1923	0.087	4	109.0905	0.030	6	108.8988	1.861	58	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,6a]C[5,5]2)(C[5]N[5]HH)(H)2	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,6a]C[5,5]2)(C[5]N[5]HH)(H)2{1|H<1>,2|N<3>,5|C<3>}	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	108.9070	0.000	1	109.0905	0.030	6	108.8988	1.861	58	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,6a]C[5,5]2)(C[5]N[5]HH)(H)2	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,6a]C[5,5]2)(C[5]N[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>,2|N<3>}	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	108.8670	0.000	1	109.0905	0.030	6	108.8988	1.861	58	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5]C[5,6a]C[5,5]N[5,5])(C[5]C[5]HH)(H)2	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	C[5](C[3x5]C[5,6a]C[5,5]N[5,5])(C[5]C[5]HH)(H)2{1|C<2>,2|H<1>,5|C<3>}	H(C[5]C[3x5]C[5]H)	H(C[5]C[3x5]C[5]H)	108.6030	0.000	1	108.6030	0.000	1	108.8988	1.861	58	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3x5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5]C[3x5]C[5]2)(N[5]C[5]HH)(H)2	H(C[5]C[3x5]N[5]H)	H(C[5]C[3x5]N[5]H)	C[5](C[3x5]C[3x5]C[5]2)(N[5]C[5]HH)(H)2{1|N<4>,1|O<2>,2|C<4>,6|H<1>}	H(C[5]C[3x5]N[5]H)	H(C[5]C[3x5]N[5]H)	108.9210	0.133	2	108.8717	0.016	3	108.8717	0.016	3	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3x5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5]C[3x5]C[5]2)(N[5]C[5]HH)(H)2	H(C[5]C[3x5]N[5]H)	H(C[5]C[3x5]N[5]H)	C[5](C[3x5]C[3x5]C[5]2)(N[5]C[5]HH)(H)2{1|O<2>,3|C<4>,6|H<1>}	H(C[5]C[3x5]N[5]H)	H(C[5]C[3x5]N[5]H)	108.7730	0.000	1	108.8717	0.016	3	108.8717	0.016	3	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[3x5]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x5]C[3x5]N[5,5]O[5])(S[5]O[5]OO)(H)2	H(C[5]C[3x5]S[5]H)	H(C[5]C[3x5]S[5]H)	C[5](C[3x5]C[3x5]N[5,5]O[5])(S[5]O[5]OO)(H)2{1|C<3>,4|C<4>}	H(C[5]C[3x5]S[5]H)	H(C[5]C[3x5]S[5]H)	109.0880	0.000	1	109.0880	0.000	1	109.0880	0.000	1	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[4,4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,4,5]C[4,4,5]C[4]2)(C[5]C[5]HH)(H)2	H(C[5]C[4,4,5]C[5]H)	H(C[5]C[4,4,5]C[5]H)	C[5](C[4,4,5]C[4,4,5]C[4]2)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[4,4,5]C[5]H)	H(C[5]C[4,4,5]C[5]H)	106.0340	0.074	2	106.0340	0.005	2	106.0340	0.005	2	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[4,5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5,5,6]C[4,5,5]C[5,5,6]C[4,6])(C[5]N[5]HH)(H)2	H(C[5]C[4,5,5,6]C[5]H)	H(C[5]C[4,5,5,6]C[5]H)	C[5](C[4,5,5,6]C[4,5,5]C[5,5,6]C[4,6])(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[5]C[4,5,5,6]C[5]H)	H(C[5]C[4,5,5,6]C[5]H)	108.7360	0.000	1	108.7360	0.000	1	108.7360	0.000	1	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[4,5,5]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5,5]C[4,5,5,6]C[4]C[5])(C[5,6]O[5,6]C[6]H)(H)2	H(C[5]C[4,5,5]C[5,6]H)	H(C[5]C[4,5,5]C[5,6]H)	C[5](C[4,5,5]C[4,5,5,6]C[4]C[5])(C[5,6]O[5,6]C[6]H)(H)2{1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[5]C[4,5,5]C[5,6]H)	H(C[5]C[4,5,5]C[5,6]H)	109.2480	0.000	1	109.2480	0.000	1	109.2480	0.000	1	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[4,5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5,5]C[4,5,5,6]C[4,5]C[5])(C[5]C[5,5,6]HH)(H)2	H(C[5]C[4,5,5]C[5]H)	H(C[5]C[4,5,5]C[5]H)	C[5](C[4,5,5]C[4,5,5,6]C[4,5]C[5])(C[5]C[5,5,6]HH)(H)2{1|Br<1>,1|H<1>,1|N<3>,1|O<2>,5|C<4>}	H(C[5]C[4,5,5]C[5]H)	H(C[5]C[4,5,5]C[5]H)	108.6960	0.000	1	108.6960	0.000	1	108.8169	0.074	7	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[4,5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5,5]C[4,5,5]C[4]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[4,5,5]C[5]H)	H(C[5]C[4,5,5]C[5]H)	C[5](C[4,5,5]C[4,5,5]C[4]C[5])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[4,5,5]C[5]H)	H(C[5]C[4,5,5]C[5]H)	109.0715	0.118	2	109.0715	0.014	2	108.8169	0.074	7	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[4,5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5,5]C[4,5,5]C[4]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[4,5,5]C[5]H)	H(C[5]C[4,5,5]C[5]H)	C[5](C[4,5,5]C[4,5,5]C[4]N[5])(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[4,5,5]C[5]H)	H(C[5]C[4,5,5]C[5]H)	108.8220	0.000	1	108.8220	0.000	1	108.8169	0.074	7	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[4,5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5,5]C[4,5,5]C[5,6a]C[4])(C[5]C[5]HH)(H)2	H(C[5]C[4,5,5]C[5]H)	H(C[5]C[4,5,5]C[5]H)	C[5](C[4,5,5]C[4,5,5]C[5,6a]C[4])(C[5]C[5]HH)(H)2{1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[4,5,5]C[5]H)	H(C[5]C[4,5,5]C[5]H)	109.0280	0.000	1	109.0280	0.000	1	108.8169	0.074	7	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[4,5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5,5]C[5,6a]C[4,5]2)(C[5]C[5]CC)(H)2	H(C[5]C[4,5,5]C[5]H)	H(C[5]C[4,5,5]C[5]H)	C[5](C[4,5,5]C[5,6a]C[4,5]2)(C[5]C[5]CC)(H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[4,5,5]C[5]H)	H(C[5]C[4,5,5]C[5]H)	108.3460	0.000	1	108.3460	0.000	1	108.8169	0.074	7	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[4,5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5,5]C[5,6a]C[4,5]2)(C[5]C[5]CH)(H)2	H(C[5]C[4,5,5]C[5]H)	H(C[5]C[4,5,5]C[5]H)	C[5](C[4,5,5]C[5,6a]C[4,5]2)(C[5]C[5]CH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[5]C[4,5,5]C[5]H)	H(C[5]C[4,5,5]C[5]H)	108.6830	0.000	1	108.6830	0.000	1	108.8169	0.074	7	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[4,5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5,6,6]C[4,5,6,6]C[3x6]C[4])(C[5]C[5]HH)(H)2	H(C[5]C[4,5,6,6]C[5]H)	H(C[5]C[4,5,6,6]C[5]H)	C[5](C[4,5,6,6]C[4,5,6,6]C[3x6]C[4])(C[5]C[5]HH)(H)2{1|C<2>,1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[4,5,6,6]C[5]H)	H(C[5]C[4,5,6,6]C[5]H)	108.9020	0.057	2	108.9020	0.003	2	108.9020	0.003	2	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[4,5,6]-4:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5,6]C[4,6,6]2C[5])(C[5,5]C[5]N[5]O[5])(H)2	H(C[5]C[4,5,6]C[5,5]H)	H(C[5]C[4,5,6]C[5,5]H)	C[5](C[4,5,6]C[4,6,6]2C[5])(C[5,5]C[5]N[5]O[5])(H)2{2|C<3>,3|C<4>,7|H<1>}	H(C[5]C[4,5,6]C[5,5]H)	H(C[5]C[4,5,6]C[5,5]H)	108.8640	0.058	3	108.8640	0.003	3	108.8640	0.003	3	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[4,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5,6]C[4,5,6,6]2H)(C[5]C[5,6,6]HH)(H)2	H(C[5]C[4,5,6]C[5]H)	H(C[5]C[4,5,6]C[5]H)	C[5](C[4,5,6]C[4,5,6,6]2H)(C[5]C[5,6,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[4,5,6]C[5]H)	H(C[5]C[4,5,6]C[5]H)	109.0440	0.000	1	109.0440	0.000	1	108.9070	0.207	11	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[4,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5,6]C[4,5,6,6]2H)(C[5]C[5]HH)(H)2	H(C[5]C[4,5,6]C[5]H)	H(C[5]C[4,5,6]C[5]H)	C[5](C[4,5,6]C[4,5,6,6]2H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[4,5,6]C[5]H)	H(C[5]C[4,5,6]C[5]H)	108.7510	0.000	1	108.7510	0.000	1	108.9070	0.207	11	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[4,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5,6]C[4,5,6]C[4]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[4,5,6]C[5]H)	H(C[5]C[4,5,6]C[5]H)	C[5](C[4,5,6]C[4,5,6]C[4]C[6])(C[5]C[5]HH)(H)2{1|C<2>,3|C<3>,3|H<1>}	H(C[5]C[4,5,6]C[5]H)	H(C[5]C[4,5,6]C[5]H)	109.0053	0.740	4	109.0053	0.548	4	108.9070	0.207	11	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[4,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5,6]C[4,5]C[4,6]C[5,6])(C[5]C[5]CH)(H)2	H(C[5]C[4,5,6]C[5]H)	H(C[5]C[4,5,6]C[5]H)	C[5](C[4,5,6]C[4,5]C[4,6]C[5,6])(C[5]C[5]CH)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[4,5,6]C[5]H)	H(C[5]C[4,5,6]C[5]H)	108.8920	0.000	1	108.8920	0.000	1	108.9070	0.207	11	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[4,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5,6]C[4,6]C[5,6]C[4])(C[5]C[5]HH)(H)2	H(C[5]C[4,5,6]C[5]H)	H(C[5]C[4,5,6]C[5]H)	C[5](C[4,5,6]C[4,6]C[5,6]C[4])(C[5]C[5]HH)(H)2{1|O<2>,3|H<1>,5|C<4>}	H(C[5]C[4,5,6]C[5]H)	H(C[5]C[4,5,6]C[5]H)	108.8350	0.000	1	108.8173	0.103	4	108.9070	0.207	11	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[4,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5,6]C[4,6]C[5,6]C[4])(C[5]C[5]HH)(H)2	H(C[5]C[4,5,6]C[5]H)	H(C[5]C[4,5,6]C[5]H)	C[5](C[4,5,6]C[4,6]C[5,6]C[4])(C[5]C[5]HH)(H)2{4|C<4>,5|H<1>}	H(C[5]C[4,5,6]C[5]H)	H(C[5]C[4,5,6]C[5]H)	108.8113	0.392	3	108.8173	0.103	4	108.9070	0.207	11	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[4,5]-4:C[5,6,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4,5,6,6]C[6a]O[4])(C[5,6,6]C[5,3x6]C[6,6]H)(H)2	H(C[5]C[5,6,6]C[4,5]H)	H(C[5]C[5,6,6]C[4,5]H)	C[5](C[4,5]C[4,5,6,6]C[6a]O[4])(C[5,6,6]C[5,3x6]C[6,6]H)(H)2{3|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6,6]C[4,5]H)	H(C[5]C[5,6,6]C[4,5]H)	108.8120	0.000	1	108.8120	0.000	1	108.8120	0.000	1	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4,3x5]C[4]C)(C[5]C[5,5]HH)(H)2	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,3x5]C[4]C)(C[5]C[5,5]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	108.6900	0.000	1	108.6900	0.000	1	108.9762	0.844	73	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4,3x5]C[4]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,3x5]C[4]H)(C[5]C[5,5]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	111.9030	0.000	1	110.5810	3.495	2	108.9762	0.844	73	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4,3x5]C[4]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,3x5]C[4]H)(C[5]C[5,5]HH)(H)2{3|C<4>,3|H<1>}	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	109.2590	0.000	1	110.5810	3.495	2	108.9762	0.844	73	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4,4]C[4,5]H)(C[5]C[5]HH)(H)2	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,4]C[4,5]H)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	104.2350	0.000	1	104.2350	0.000	1	108.9762	0.844	73	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4,5,5]C[4,5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5,5]C[4,5]H)(C[5]C[5,5]HH)(H)2{3|C<4>,3|H<1>}	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	108.9580	0.110	4	108.9580	0.012	4	108.9762	0.844	73	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4,5,5]C[4,5]H)(C[5]C[5]HH)(H)2	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5,5]C[4,5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	108.7583	0.084	3	108.7583	0.007	3	108.9762	0.844	73	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4,5,5]C[4]H)(C[5]C[5,5]CC)(H)2	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5,5]C[4]H)(C[5]C[5,5]CC)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	108.7970	0.000	1	108.7970	0.000	1	108.9762	0.844	73	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4,5,5]C[4]H)(C[5]C[5]CC)(H)2	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5,5]C[4]H)(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	108.6420	0.000	1	108.6420	0.000	1	108.9762	0.844	73	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4,5,5]C[4]H)(C[5]C[5]CH)(H)2	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5,5]C[4]H)(C[5]C[5]CH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	108.6850	0.000	1	108.6850	0.000	1	108.9762	0.844	73	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4,5,5]C[4]H)(C[5]C[5]HH)(H)2	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5,5]C[4]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	108.8360	0.143	2	108.7723	0.022	3	108.9762	0.844	73	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4,5,5]C[4]H)(C[5]C[5]HH)(H)2	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5,5]C[4]H)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	108.6450	0.000	1	108.7723	0.022	3	108.9762	0.844	73	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4,5,6]C[4,5]H)(C[5]C[6a]N[5]H)(H)2	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5,6]C[4,5]H)(C[5]C[6a]N[5]H)(H)2{1|H<1>,2|C<4>,4|C<3>}	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	108.4760	0.000	1	108.4760	0.000	1	108.9762	0.844	73	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4,5,6]C[4]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5,6]C[4]H)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	108.8215	0.036	6	108.8215	0.001	6	108.9762	0.844	73	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4,5,6]C[4]H)(C[5]C[5]HH)(H)2	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5,6]C[4]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	108.9860	0.047	2	108.9860	0.002	2	108.9762	0.844	73	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4,5,6]C[4]H)(C[5]O[5]HH)(H)2	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5,6]C[4]H)(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	109.1420	0.000	1	109.1420	0.000	1	108.9762	0.844	73	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4,5]2H)(C[5]C[5]HH)(H)2	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]2H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,3|C<4>}	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	108.7130	0.000	1	108.7130	0.000	1	108.9762	0.844	73	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4,5]C[4,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	108.5510	3.485	2	108.5387	6.072	3	108.9762	0.844	73	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4,5]C[4,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4,6]H)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	108.5140	0.000	1	108.5387	6.072	3	108.9762	0.844	73	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4,5]C[4,6]O)(C[5]C[5]HH)(H)2	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4,6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	108.8500	0.000	1	109.7912	1.275	4	108.9762	0.844	73	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4,5]C[4,6]O)(C[5]C[5]HH)(H)2	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4,6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,4|H<1>}	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	110.6730	0.841	2	109.7912	1.275	4	108.9762	0.844	73	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4,5]C[4,6]O)(C[5]C[5]HH)(H)2	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4,6]O)(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	108.9690	0.000	1	109.7912	1.275	4	108.9762	0.844	73	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]C)(C[5]C[5]HH)(H)2	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	108.4870	0.000	1	108.4870	0.000	1	108.9762	0.844	73	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]C)(C[5]C[5]HO)(H)2	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4]C)(C[5]C[5]HO)(H)2{1|O<2>,1|S<4>,2|C<4>,2|H<1>}	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	110.7010	0.000	1	110.7010	0.000	1	108.9762	0.844	73	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]CC)(H)2	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	109.4230	0.000	1	109.4370	0.000	2	108.9762	0.844	73	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]CC)(H)2	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]CC)(H)2{2|C<3>,4|H<1>}	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	109.4510	0.000	1	109.4370	0.000	2	108.9762	0.844	73	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HH)(H)2	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	108.8970	0.000	1	108.9274	0.005	5	108.9762	0.844	73	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HH)(H)2	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	108.8490	0.000	1	108.9274	0.005	5	108.9762	0.844	73	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HH)(H)2	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	108.9637	0.065	3	108.9274	0.005	5	108.9762	0.844	73	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HO)(H)2	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HO)(H)2{1|Br<1>,1|C<2>,1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	108.5810	0.000	1	108.5810	0.000	1	108.9762	0.844	73	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]N[5]H)(H)2	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]N[5]H)(H)2{1|H<1>,5|C<3>}	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	108.8200	0.000	1	108.8200	0.000	1	108.9762	0.844	73	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[5]O[5]CH)(H)2	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4]H)(C[5]O[5]CH)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	109.0410	0.024	2	109.0410	0.001	2	108.9762	0.844	73	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[5]O[5]HH)(H)2	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4]H)(C[5]O[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	109.4055	0.095	2	109.2343	0.092	3	108.9762	0.844	73	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[5]O[5]HH)(H)2	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4]H)(C[5]O[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	108.8920	0.000	1	109.2343	0.092	3	108.9762	0.844	73	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4,5]C[6a]C[4])(C[5]C[5]HH)(H)2	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[6a]C[4])(C[5]C[5]HH)(H)2{1|Si<4>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	108.6880	0.000	1	108.6880	0.000	1	108.9762	0.844	73	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4,5]C[6a]O[4])(C[5]C[6a]C[5]H)(H)2	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[6a]O[4])(C[5]C[6a]C[5]H)(H)2{1|N<2>,2|H<1>,5|C<3>}	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	108.8170	0.000	1	108.8170	0.000	1	108.9762	0.844	73	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4,5]N[4,5]C[6a])(C[5]C[6a]O[5]H)(H)2	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]N[4,5]C[6a])(C[5]C[6a]O[5]H)(H)2{1|C<4>,1|H<1>,5|C<3>}	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	109.8790	0.000	1	109.8790	0.000	1	108.9762	0.844	73	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4,5]O[4]C)(C[5]C[5]CC)(H)2	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]O[4]C)(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	108.6930	0.000	1	108.6385	0.006	2	108.9762	0.844	73	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4,5]O[4]C)(C[5]C[5]CC)(H)2	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]O[4]C)(C[5]C[5]CC)(H)2{2|C<3>,2|H<1>}	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	108.5840	0.000	1	108.6385	0.006	2	108.9762	0.844	73	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4,5]O[4]C)(C[5]C[5]HH)(H)2	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]O[4]C)(C[5]C[5]HH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	108.8060	0.000	1	108.8060	0.000	1	108.9762	0.844	73	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4,5]O[4]H)(C[5]C[6a]C[5]H)(H)2	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]O[4]H)(C[5]C[6a]C[5]H)(H)2{2|H<1>,4|C<3>}	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	110.5770	0.000	1	110.5770	0.000	1	108.9762	0.844	73	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4,6a]C[4,5]H)(C[5]C[5]HH)(H)2	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,6a]C[4,5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	108.8090	0.000	1	108.8090	0.000	1	108.9762	0.844	73	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4,6a]C[4,5]H)(C[5]O[5]HH)(H)2	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,6a]C[4,5]H)(C[5]O[5]HH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	109.0330	0.000	1	109.0330	0.000	1	108.9762	0.844	73	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4]2C[5])(C[5]C[5]HH)(H)2	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4]2C[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	109.2110	0.000	1	109.2110	0.000	1	108.9762	0.844	73	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4]2C[5])(C[5]C[6a]O[5]C)(H)2	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4]2C[5])(C[5]C[6a]O[5]C)(H)2{1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	108.8160	0.000	1	108.8160	0.000	1	108.9762	0.844	73	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4]2C[5])(C[5]O[5]HH)(H)2	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4]2C[5])(C[5]O[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	109.3790	0.000	1	109.3790	0.000	1	108.9762	0.844	73	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4]2N[5])(C[5]C[5]HO)(H)2	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4]2N[5])(C[5]C[5]HO)(H)2{1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	108.9670	0.000	1	108.9670	0.000	1	108.9762	0.844	73	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4]2N[5])(C[5]C[6a]C[5]H)(H)2	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4]2N[5])(C[5]C[6a]C[5]H)(H)2{1|C<4>,1|S<4>,2|C<3>,6|H<1>}	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	108.5435	0.292	2	108.5435	0.085	2	108.9762	0.844	73	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4]2O[5])(C[5]C[5]HH)(H)2	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4]2O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,3|H<1>}	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	109.2883	0.045	3	109.2883	0.002	3	108.9762	0.844	73	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4]2O[5])(C[5]N[5]CH)(H)2	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4]2O[5])(C[5]N[5]CH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>}	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	109.1180	0.000	1	109.1180	0.000	1	108.9762	0.844	73	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4]C[5]O[4])(C[5]C[5]HH)(H)2	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4]C[5]O[4])(C[5]C[5]HH)(H)2{1|Li<4>,1|B<4>,1|C<4>,5|H<1>}	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	108.8880	0.337	2	108.8880	0.113	2	108.9762	0.844	73	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[5,6]C[4]O[4])(C[5]C[5,6]HH)(H)2	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[5,6]C[4]O[4])(C[5]C[5,6]HH)(H)2{3|H<1>,4|C<4>}	H(C[5]C[4,5]C[5]H)	H(C[5]C[4,5]C[5]H)	108.6240	0.000	1	108.6240	0.000	1	108.9762	0.844	73	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[4,5]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4,5]2H)(S[5]C[5]OO)(H)2	H(C[5]C[4,5]S[5]H)	H(C[5]C[4,5]S[5]H)	C[5](C[4,5]C[4,5]2H)(S[5]C[5]OO)(H)2{2|C<4>,4|H<1>}	H(C[5]C[4,5]S[5]H)	H(C[5]C[4,5]S[5]H)	107.6760	1.747	2	107.6760	3.050	2	108.6063	1.156	6	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[4,5]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(S[5]C[5]OO)(H)2	H(C[5]C[4,5]S[5]H)	H(C[5]C[4,5]S[5]H)	C[5](C[4,5]C[4,5]C[4]H)(S[5]C[5]OO)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[4,5]S[5]H)	H(C[5]C[4,5]S[5]H)	109.0715	0.209	4	109.0715	0.044	4	108.6063	1.156	6	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[4x5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4x5,6,6]C[3x5,3x6]C[4x5,3x6]C[5,5])(C[5,6]O[5,6]C[6]C)(H)2	H(C[5]C[4x5,6,6]C[5,6]H)	H(C[5]C[4x5,6,6]C[5,6]H)	C[5](C[4x5,6,6]C[3x5,3x6]C[4x5,3x6]C[5,5])(C[5,6]O[5,6]C[6]C)(H)2{1|O<1>,3|H<1>,6|C<4>}	H(C[5]C[4x5,6,6]C[5,6]H)	H(C[5]C[4x5,6,6]C[5,6]H)	109.1260	0.000	1	109.1260	0.000	1	109.1260	0.000	1	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[4x5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4x5,6]C[3,5,5,6]C[5,5,6]C[4x5])(C[5]C[5]HH)(H)2	H(C[5]C[4x5,6]C[5]H)	H(C[5]C[4x5,6]C[5]H)	C[5](C[4x5,6]C[3,5,5,6]C[5,5,6]C[4x5])(C[5]C[5]HH)(H)2{5|C<4>,5|H<1>}	H(C[5]C[4x5,6]C[5]H)	H(C[5]C[4x5,6]C[5]H)	109.2110	0.000	1	109.2110	0.000	1	109.2110	0.000	1	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[4x5]-4:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4x5]C[3x5]2C[5,5])(C[5,5]C[5,5]O[5]H)(H)2	H(C[5]C[4x5]C[5,5]H)	H(C[5]C[4x5]C[5,5]H)	C[5](C[4x5]C[3x5]2C[5,5])(C[5,5]C[5,5]O[5]H)(H)2{1|H<1>,2|C<3>,3|O<2>,5|C<4>}	H(C[5]C[4x5]C[5,5]H)	H(C[5]C[4x5]C[5,5]H)	108.8585	0.395	2	108.8585	0.156	2	108.8585	0.156	2	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,3x6]C[5,6,6]C[6,6]N[6,6])(C[5,5]C[5,6a]C[5]2)(H)2	H(C[5]C[5,3x6]C[5,5]H)	H(C[5]C[5,3x6]C[5,5]H)	C[5](C[5,3x6]C[5,6,6]C[6,6]N[6,6])(C[5,5]C[5,6a]C[5]2)(H)2{1|O<1>,2|N<3>,3|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,3x6]C[5,5]H)	H(C[5]C[5,3x6]C[5,5]H)	108.5650	0.000	2	108.5252	0.002	4	108.5252	0.002	4	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,3x6]C[5,6,6]C[6,6]N[6,6])(C[5,5]C[5,6a]C[5]2)(H)2	H(C[5]C[5,3x6]C[5,5]H)	H(C[5]C[5,3x6]C[5,5]H)	C[5](C[5,3x6]C[5,6,6]C[6,6]N[6,6])(C[5,5]C[5,6a]C[5]2)(H)2{1|O<1>,2|N<3>,3|C<3>,3|H<1>,4|C<4>}	H(C[5]C[5,3x6]C[5,5]H)	H(C[5]C[5,3x6]C[5,5]H)	108.4850	0.000	1	108.5252	0.002	4	108.5252	0.002	4	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,3x6]C[5,6,6]C[6,6]N[6,6])(C[5,5]C[5,6a]C[5]2)(H)2	H(C[5]C[5,3x6]C[5,5]H)	H(C[5]C[5,3x6]C[5,5]H)	C[5](C[5,3x6]C[5,6,6]C[6,6]N[6,6])(C[5,5]C[5,6a]C[5]2)(H)2{2|H<1>,2|N<3>,2|O<1>,3|C<3>,3|C<4>}	H(C[5]C[5,3x6]C[5,5]H)	H(C[5]C[5,3x6]C[5,5]H)	108.4860	0.000	1	108.5252	0.002	4	108.5252	0.002	4	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,3x6]C[5,4x6]C[3x6]C[6])(C[5,6]O[5,6]O[6]H)(H)2	H(C[5]C[5,3x6]C[5,6]H)	H(C[5]C[5,3x6]C[5,6]H)	C[5](C[5,3x6]C[5,4x6]C[3x6]C[6])(C[5,6]O[5,6]O[6]H)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5,3x6]C[5,6]H)	H(C[5]C[5,3x6]C[5,6]H)	109.1147	0.033	3	109.1147	0.001	3	109.1217	0.011	6	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,6]C[5,6]C[6]H)(H)2	H(C[5]C[5,3x6]C[5,6]H)	H(C[5]C[5,3x6]C[5,6]H)	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|H<1>,1|N<3>,1|S<2>,2|C<4>,2|O<1>}	H(C[5]C[5,3x6]C[5,6]H)	H(C[5]C[5,3x6]C[5,6]H)	108.9560	0.000	1	109.1287	0.027	3	109.1217	0.011	6	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,6]C[5,6]C[6]H)(H)2	H(C[5]C[5,3x6]C[5,6]H)	H(C[5]C[5,3x6]C[5,6]H)	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|N<3>,1|O<1>,1|S<2>,2|C<4>,3|H<1>}	H(C[5]C[5,3x6]C[5,6]H)	H(C[5]C[5,3x6]C[5,6]H)	109.1500	0.000	1	109.1287	0.027	3	109.1217	0.011	6	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,6]C[5,6]C[6]H)(H)2	H(C[5]C[5,3x6]C[5,6]H)	H(C[5]C[5,3x6]C[5,6]H)	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	H(C[5]C[5,3x6]C[5,6]H)	H(C[5]C[5,3x6]C[5,6]H)	109.2800	0.000	1	109.1287	0.027	3	109.1217	0.011	6	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,3x6]C[3,6,6]C[5,6,6]N[6,6])(C[5]N[5]CH)(H)2	H(C[5]C[5,3x6]C[5]H)	H(C[5]C[5,3x6]C[5]H)	C[5](C[5,3x6]C[3,6,6]C[5,6,6]N[6,6])(C[5]N[5]CH)(H)2{1|C<3>,1|N<2>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,3x6]C[5]H)	H(C[5]C[5,3x6]C[5]H)	108.9680	0.000	1	108.9680	0.000	1	108.7965	0.570	26	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]O[5]CH)(H)2	H(C[5]C[5,3x6]C[5]H)	H(C[5]C[5,3x6]C[5]H)	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]O[5]CH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,3x6]C[5]H)	H(C[5]C[5,3x6]C[5]H)	109.1190	0.000	1	109.1190	0.000	1	108.7965	0.570	26	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,3x6]C[5,3x6]C[3x6]C[6])(C[5]O[5]HH)(H)2	H(C[5]C[5,3x6]C[5]H)	H(C[5]C[5,3x6]C[5]H)	C[5](C[5,3x6]C[5,3x6]C[3x6]C[6])(C[5]O[5]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,3x6]C[5]H)	H(C[5]C[5,3x6]C[5]H)	108.8700	0.000	1	108.8700	0.000	1	108.7965	0.570	26	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,3x6]C[5,6,6]2C[6,6])(C[5]C[5]HH)(H)2	H(C[5]C[5,3x6]C[5]H)	H(C[5]C[5,3x6]C[5]H)	C[5](C[5,3x6]C[5,6,6]2C[6,6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,3x6]C[5]H)	H(C[5]C[5,3x6]C[5]H)	109.0047	0.809	3	109.1874	0.392	5	108.7965	0.570	26	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,3x6]C[5,6,6]2C[6,6])(C[5]C[5]HH)(H)2	H(C[5]C[5,3x6]C[5]H)	H(C[5]C[5,3x6]C[5]H)	C[5](C[5,3x6]C[5,6,6]2C[6,6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[5]C[5,3x6]C[5]H)	H(C[5]C[5,3x6]C[5]H)	109.4615	0.084	2	109.1874	0.392	5	108.7965	0.570	26	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,3x6]C[5,6,6]2O[6,6])(C[5]C[5]HH)(H)2	H(C[5]C[5,3x6]C[5]H)	H(C[5]C[5,3x6]C[5]H)	C[5](C[5,3x6]C[5,6,6]2O[6,6])(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,3x6]C[5]H)	H(C[5]C[5,3x6]C[5]H)	108.8000	0.000	1	108.8000	0.000	1	108.7965	0.570	26	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]CC)(H)2	H(C[5]C[5,3x6]C[5]H)	H(C[5]C[5,3x6]C[5]H)	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]CC)(H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5]C[5,3x6]C[5]H)	H(C[5]C[5,3x6]C[5]H)	108.4440	0.000	1	108.4440	0.000	1	108.7965	0.570	26	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(H)2	H(C[5]C[5,3x6]C[5]H)	H(C[5]C[5,3x6]C[5]H)	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[5]C[5,3x6]C[5]H)	H(C[5]C[5,3x6]C[5]H)	106.8205	1.829	2	107.4483	2.856	3	108.7965	0.570	26	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(H)2	H(C[5]C[5,3x6]C[5]H)	H(C[5]C[5,3x6]C[5]H)	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5,3x6]C[5]H)	H(C[5]C[5,3x6]C[5]H)	108.7040	0.000	1	107.4483	2.856	3	108.7965	0.570	26	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,3x6]C[5,6,6]C[6,6]N[6,6])(C[5]C[5]CH)(H)2	H(C[5]C[5,3x6]C[5]H)	H(C[5]C[5,3x6]C[5]H)	C[5](C[5,3x6]C[5,6,6]C[6,6]N[6,6])(C[5]C[5]CH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,4|C<4>}	H(C[5]C[5,3x6]C[5]H)	H(C[5]C[5,3x6]C[5]H)	108.9770	0.000	1	108.9770	0.000	1	108.7965	0.570	26	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,3x6]C[5,6,6]C[6,6]N[6,6])(C[5]C[5]HH)(H)2	H(C[5]C[5,3x6]C[5]H)	H(C[5]C[5,3x6]C[5]H)	C[5](C[5,3x6]C[5,6,6]C[6,6]N[6,6])(C[5]C[5]HH)(H)2{1|C<2>,1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5,3x6]C[5]H)	H(C[5]C[5,3x6]C[5]H)	108.8160	0.000	1	108.8160	0.000	1	108.7965	0.570	26	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,3x6]C[6,6,6a]2N[5,6,6])(C[5]C[5]HH)(H)2	H(C[5]C[5,3x6]C[5]H)	H(C[5]C[5,3x6]C[5]H)	C[5](C[5,3x6]C[6,6,6a]2N[5,6,6])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,4|C<3>}	H(C[5]C[5,3x6]C[5]H)	H(C[5]C[5,3x6]C[5]H)	109.0640	0.000	1	109.0640	0.000	1	108.7965	0.570	26	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,3x6]N[5,6,6]C[6,6]2)(C[5]C[5]HH)(H)2	H(C[5]C[5,3x6]C[5]H)	H(C[5]C[5,3x6]C[5]H)	C[5](C[5,3x6]N[5,6,6]C[6,6]2)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	H(C[5]C[5,3x6]C[5]H)	H(C[5]C[5,3x6]C[5]H)	108.9361	0.162	7	108.9424	0.023	8	108.7965	0.570	26	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,3x6]N[5,6,6]C[6,6]2)(C[5]C[5]HH)(H)2	H(C[5]C[5,3x6]C[5]H)	H(C[5]C[5,3x6]C[5]H)	C[5](C[5,3x6]N[5,6,6]C[6,6]2)(C[5]C[5]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5,3x6]C[5]H)	H(C[5]C[5,3x6]C[5]H)	108.9860	0.000	1	108.9424	0.023	8	108.7965	0.570	26	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,3x6]N[5,6,6]C[6,6]O[6,6])(C[5]C[5]HH)(H)2	H(C[5]C[5,3x6]C[5]H)	H(C[5]C[5,3x6]C[5]H)	C[5](C[5,3x6]N[5,6,6]C[6,6]O[6,6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,3x6]C[5]H)	H(C[5]C[5,3x6]C[5]H)	108.8000	0.000	1	108.8000	0.000	1	108.7965	0.570	26	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5]C[5]HO)(H)2	H(C[5]C[5,3x6]C[5]H)	H(C[5]C[5,3x6]C[5]H)	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5]C[5]HO)(H)2{1|C<3>,1|N<3>,1|O<1>,1|S<2>,2|H<1>}	H(C[5]C[5,3x6]C[5]H)	H(C[5]C[5,3x6]C[5]H)	109.0310	0.000	1	109.0310	0.000	1	108.7965	0.570	26	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,4x6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,4x6]C[5,6,6]C[3x6]2)(C[5,6]C[6]2O[5])(H)2	H(C[5]C[5,4x6]C[5,6]H)	H(C[5]C[5,4x6]C[5,6]H)	C[5](C[5,4x6]C[5,6,6]C[3x6]2)(C[5,6]C[6]2O[5])(H)2{1|O<2>,3|C<3>,4|H<1>,6|C<4>}	H(C[5]C[5,4x6]C[5,6]H)	H(C[5]C[5,4x6]C[5,6]H)	110.0120	0.000	1	110.0120	0.000	1	110.0120	0.000	1	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6,6]C[5,5,3x6]C[6,6]C[5])(C[5,6]C[5,3x6]C[6]H)(H)2	H(C[5]C[5,5,6,6]C[5,6]H)	H(C[5]C[5,5,6,6]C[5,6]H)	C[5](C[5,5,6,6]C[5,5,3x6]C[6,6]C[5])(C[5,6]C[5,3x6]C[6]H)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<3>,5|C<4>}	H(C[5]C[5,5,6,6]C[5,6]H)	H(C[5]C[5,5,6,6]C[5,6]H)	109.1910	0.074	2	109.1910	0.005	2	109.1910	0.005	2	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6,6]C[5,3x6]2C[5,6a])(C[5]N[5,6]HH)(H)2	H(C[5]C[5,5,6,6]C[5]H)	H(C[5]C[5,5,6,6]C[5]H)	C[5](C[5,5,6,6]C[5,3x6]2C[5,6a])(C[5]N[5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,4|C<4>}	H(C[5]C[5,5,6,6]C[5]H)	H(C[5]C[5,5,6,6]C[5]H)	108.6250	0.000	1	108.7785	0.047	2	108.9128	0.030	12	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6,6]C[5,3x6]2C[5,6a])(C[5]N[5,6]HH)(H)2	H(C[5]C[5,5,6,6]C[5]H)	H(C[5]C[5,5,6,6]C[5]H)	C[5](C[5,5,6,6]C[5,3x6]2C[5,6a])(C[5]N[5,6]HH)(H)2{1|H<1>,1|N<3>,3|C<3>,3|C<4>}	H(C[5]C[5,5,6,6]C[5]H)	H(C[5]C[5,5,6,6]C[5]H)	108.9320	0.000	1	108.7785	0.047	2	108.9128	0.030	12	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6,6]C[5,3x6]C[6,6]N[5,5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5,6,6]C[5]H)	H(C[5]C[5,5,6,6]C[5]H)	C[5](C[5,5,6,6]C[5,3x6]C[6,6]N[5,5])(C[5]C[5]HH)(H)2{1|C<2>,1|C<3>,1|O<2>,1|S<4>,2|C<4>,3|H<1>}	H(C[5]C[5,5,6,6]C[5]H)	H(C[5]C[5,5,6,6]C[5]H)	108.9710	0.000	1	108.9477	0.000	3	108.9128	0.030	12	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6,6]C[5,3x6]C[6,6]N[5,5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5,6,6]C[5]H)	H(C[5]C[5,5,6,6]C[5]H)	C[5](C[5,5,6,6]C[5,3x6]C[6,6]N[5,5])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,1|S<4>,2|C<4>,3|H<1>}	H(C[5]C[5,5,6,6]C[5]H)	H(C[5]C[5,5,6,6]C[5]H)	108.9360	0.011	2	108.9477	0.000	3	108.9128	0.030	12	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6,6]C[5,5,3x6]C[6,6]C[5])(C[5]C[5,6,6]CH)(H)2	H(C[5]C[5,5,6,6]C[5]H)	H(C[5]C[5,5,6,6]C[5]H)	C[5](C[5,5,6,6]C[5,5,3x6]C[6,6]C[5])(C[5]C[5,6,6]CH)(H)2{1|O<1>,1|O<2>,2|H<1>,5|C<4>}	H(C[5]C[5,5,6,6]C[5]H)	H(C[5]C[5,5,6,6]C[5]H)	109.1310	0.013	2	109.1310	0.000	2	108.9128	0.030	12	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6,6]C[5,5,6,6]C[3x6]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5,6,6]C[5]H)	H(C[5]C[5,5,6,6]C[5]H)	C[5](C[5,5,6,6]C[5,5,6,6]C[3x6]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,3|H<1>,4|C<3>}	H(C[5]C[5,5,6,6]C[5]H)	H(C[5]C[5,5,6,6]C[5]H)	108.8540	0.000	1	108.8540	0.000	1	108.9128	0.030	12	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6,6]C[5,5,6,6]C[5,3x6]C[5,6a])(C[5]N[5,5]HH)(H)2	H(C[5]C[5,5,6,6]C[5]H)	H(C[5]C[5,5,6,6]C[5]H)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,3x6]C[5,6a])(C[5]N[5,5]HH)(H)2{1|H<1>,1|N<3>,3|C<3>,3|C<4>}	H(C[5]C[5,5,6,6]C[5]H)	H(C[5]C[5,5,6,6]C[5]H)	108.8450	0.000	1	108.8450	0.000	1	108.9128	0.030	12	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6a]C[3x6])(C[5]C[5]HH)(H)2	H(C[5]C[5,5,6,6]C[5]H)	H(C[5]C[5,5,6,6]C[5]H)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6a]C[3x6])(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5,5,6,6]C[5]H)	H(C[5]C[5,5,6,6]C[5]H)	108.9470	0.000	1	108.9470	0.000	1	108.9128	0.030	12	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6,6]C[5,5,6]2C[6,6])(C[5]N[5]HH)(H)2	H(C[5]C[5,5,6,6]C[5]H)	H(C[5]C[5,5,6,6]C[5]H)	C[5](C[5,5,6,6]C[5,5,6]2C[6,6])(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>,6|C<4>}	H(C[5]C[5,5,6,6]C[5]H)	H(C[5]C[5,5,6,6]C[5]H)	109.0700	0.000	1	109.0700	0.000	1	108.9128	0.030	12	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6,6]C[5,5,6]C[5,6,6]C[5,6])(C[5]C[5]HH)(H)2	H(C[5]C[5,5,6,6]C[5]H)	H(C[5]C[5,5,6,6]C[5]H)	C[5](C[5,5,6,6]C[5,5,6]C[5,6,6]C[5,6])(C[5]C[5]HH)(H)2{1|C<2>,2|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5,5,6,6]C[5]H)	H(C[5]C[5,5,6,6]C[5]H)	108.5760	0.000	1	108.5760	0.000	1	108.9128	0.030	12	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]CC)(H)2	H(C[5]C[5,5,6,6]N[5]H)	H(C[5]C[5,5,6,6]N[5]H)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]CC)(H)2{2|H<1>,6|C<3>}	H(C[5]C[5,5,6,6]N[5]H)	H(C[5]C[5,5,6,6]N[5]H)	108.6005	0.212	4	108.6005	0.045	4	108.6005	0.045	4	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[3,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(C[3,5]C[3,5]C[3]H)(H)2	H(C[5]C[5,5,6]C[3,5]H)	H(C[5]C[5,5,6]C[3,5]H)	C[5](C[5,5,6]C[5,5,6]2H)(C[3,5]C[3,5]C[3]H)(H)2{2|Br<1>,1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5,6]C[3,5]H)	H(C[5]C[5,5,6]C[3,5]H)	108.5210	0.000	1	108.5210	0.000	1	108.5210	0.000	1	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[3,5,5,6]C[5,5,3x6]H)(C[5,5]C[3,5,5]C[5]H)(H)2	H(C[5]C[5,5,6]C[5,5]H)	H(C[5]C[5,5,6]C[5,5]H)	C[5](C[5,5,6]C[3,5,5,6]C[5,5,3x6]H)(C[5,5]C[3,5,5]C[5]H)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	H(C[5]C[5,5,6]C[5,5]H)	H(C[5]C[5,5,6]C[5,5]H)	108.9810	0.030	2	108.9810	0.001	2	108.6490	0.236	8	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(C[5,5]C[5,5]O[5]C)(H)2	H(C[5]C[5,5,6]C[5,5]H)	H(C[5]C[5,5,6]C[5,5]H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5,5]C[5,5]O[5]C)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5,5,6]C[5,5]H)	H(C[5]C[5,5,6]C[5,5]H)	108.7010	0.000	1	108.7010	0.000	1	108.6490	0.236	8	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,5]C[5,5]C[5]C)(H)2	H(C[5]C[5,5,6]C[5,5]H)	H(C[5]C[5,5,6]C[5,5]H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,5]C[5,5]C[5]C)(H)2{2|C<3>,5|H<1>,6|C<4>}	H(C[5]C[5,5,6]C[5,5]H)	H(C[5]C[5,5,6]C[5,5]H)	108.4690	0.000	1	108.4690	0.000	1	108.6490	0.236	8	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5,5]N[5,5,6]C[5]H)(H)2	H(C[5]C[5,5,6]C[5,5]H)	H(C[5]C[5,5,6]C[5,5]H)	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5,5]N[5,5,6]C[5]H)(H)2{1|N<2>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5,6]C[5,5]H)	H(C[5]C[5,5,6]C[5,5]H)	108.1120	0.000	1	108.6890	0.666	2	108.6490	0.236	8	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5,5]N[5,5,6]C[5]H)(H)2	H(C[5]C[5,5,6]C[5,5]H)	H(C[5]C[5,5,6]C[5,5]H)	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5,5]N[5,5,6]C[5]H)(H)2{1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5,6]C[5,5]H)	H(C[5]C[5,5,6]C[5,5]H)	109.2660	0.000	1	108.6890	0.666	2	108.6490	0.236	8	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]2C[5])(C[5,5]C[5,5]C[5]C)(H)2	H(C[5]C[5,5,6]C[5,5]H)	H(C[5]C[5,5,6]C[5,5]H)	C[5](C[5,5,6]C[5,6]2C[5])(C[5,5]C[5,5]C[5]C)(H)2{2|C<3>,5|C<4>,5|H<1>}	H(C[5]C[5,5,6]C[5,5]H)	H(C[5]C[5,5,6]C[5,5]H)	107.8220	0.000	1	107.8220	0.000	1	108.6490	0.236	8	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5,5]C[5,5,6]C[5]H)(H)2	H(C[5]C[5,5,6]C[5,5]H)	H(C[5]C[5,5,6]C[5,5]H)	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5,5]C[5,5,6]C[5]H)(H)2{1|O<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5,5,6]C[5,5]H)	H(C[5]C[5,5,6]C[5,5]H)	108.8600	0.000	1	108.8600	0.000	1	108.6490	0.236	8	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5]C[6])(C[5,6]C[5,5,6]C[6]H)(H)2	H(C[5]C[5,5,6]C[5,6]H)	H(C[5]C[5,5,6]C[5,6]H)	C[5](C[5,5,6]C[3x5,6]C[5]C[6])(C[5,6]C[5,5,6]C[6]H)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>,2|N<3>,3|C<3>}	H(C[5]C[5,5,6]C[5,6]H)	H(C[5]C[5,5,6]C[5,6]H)	108.7760	0.000	1	108.7760	0.000	1	108.8988	0.288	11	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6,6]C[5]C[6])(C[5,6]O[5,6]O[6]H)(H)2	H(C[5]C[5,5,6]C[5,6]H)	H(C[5]C[5,5,6]C[5,6]H)	C[5](C[5,5,6]C[5,5,6,6]C[5]C[6])(C[5,6]O[5,6]O[6]H)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5,5,6]C[5,6]H)	H(C[5]C[5,5,6]C[5,6]H)	108.8120	0.000	1	108.8120	0.000	1	108.8988	0.288	11	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5,6]C[5,5,6]C[6]2)(H)2	H(C[5]C[5,5,6]C[5,6]H)	H(C[5]C[5,5,6]C[5,6]H)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5,6]C[5,5,6]C[6]2)(H)2{2|H<1>,9|C<3>}	H(C[5]C[5,5,6]C[5,6]H)	H(C[5]C[5,5,6]C[5,6]H)	108.5270	0.000	1	108.5270	0.000	1	108.8988	0.288	11	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6]N[5,6]C[6]H)(H)2	H(C[5]C[5,5,6]C[5,6]H)	H(C[5]C[5,5,6]C[5,6]H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6]N[5,6]C[6]H)(H)2{1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5,6]C[5,6]H)	H(C[5]C[5,5,6]C[5,6]H)	108.7590	0.000	1	108.7590	0.000	1	108.8988	0.288	11	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,6]C[6]H)(H)2	H(C[5]C[5,5,6]C[5,6]H)	H(C[5]C[5,5,6]C[5,6]H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|N<3>,1|O<1>,4|C<4>,5|H<1>}	H(C[5]C[5,5,6]C[5,6]H)	H(C[5]C[5,5,6]C[5,6]H)	108.7290	0.000	1	108.6985	0.001	4	108.8988	0.288	11	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,6]C[6]H)(H)2	H(C[5]C[5,5,6]C[5,6]H)	H(C[5]C[5,5,6]C[5,6]H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|N<3>,1|O<2>,4|C<4>,6|H<1>}	H(C[5]C[5,5,6]C[5,6]H)	H(C[5]C[5,5,6]C[5,6]H)	108.7015	0.045	2	108.6985	0.001	4	108.8988	0.288	11	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,6]C[6]H)(H)2	H(C[5]C[5,5,6]C[5,6]H)	H(C[5]C[5,5,6]C[5,6]H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|N<3>,2|O<2>,4|C<4>,5|H<1>}	H(C[5]C[5,5,6]C[5,6]H)	H(C[5]C[5,5,6]C[5,6]H)	108.6620	0.000	1	108.6985	0.001	4	108.8988	0.288	11	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[6]H)(H)2	H(C[5]C[5,5,6]C[5,6]H)	H(C[5]C[5,5,6]C[5,6]H)	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[6]H)(H)2{1|O<2>,2|C<3>,3|C<4>,6|H<1>}	H(C[5]C[5,5,6]C[5,6]H)	H(C[5]C[5,5,6]C[5,6]H)	109.0350	0.000	1	109.0350	0.000	1	108.8988	0.288	11	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]2C[5])(C[5,6]C[5,6]C[6]H)(H)2	H(C[5]C[5,5,6]C[5,6]H)	H(C[5]C[5,5,6]C[5,6]H)	C[5](C[5,5,6]C[5,6]2C[5])(C[5,6]C[5,6]C[6]H)(H)2{2|C<3>,3|C<4>,7|H<1>}	H(C[5]C[5,5,6]C[5,6]H)	H(C[5]C[5,5,6]C[5,6]H)	110.4750	0.000	1	110.4750	0.000	1	108.8988	0.288	11	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6]C[5,6]C[6]H)(H)2	H(C[5]C[5,5,6]C[5,6]H)	H(C[5]C[5,5,6]C[5,6]H)	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6]C[5,6]C[6]H)(H)2{1|O<1>,2|C<4>,2|H<1>,2|N<3>,3|C<3>}	H(C[5]C[5,5,6]C[5,6]H)	H(C[5]C[5,5,6]C[5,6]H)	108.7090	0.000	1	108.7090	0.000	1	108.8988	0.288	11	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[3,5,6,6]C[5,6]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3,5,6,6]C[5,6]C[5])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|O<2>,5|C<4>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.8637	0.038	3	108.8637	0.001	3	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[3,5,6]C[5,6]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3,5,6]C[5,6]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.8790	0.049	2	108.8790	0.002	2	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5]C[5,5,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.8000	0.000	1	108.7710	0.002	2	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5]C[5,5,6]HH)(H)2{1|Cl<1>,2|H<1>,4|C<4>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.7420	0.000	1	108.7710	0.002	2	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5]C[5,5]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	113.5660	0.000	1	113.5660	0.000	1	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5]C[5]HH)(H)2{1|O<2>,6|C<4>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	109.0660	0.006	2	109.0660	0.000	2	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6,6]H)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6,6]H)(C[5]C[5,5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.7180	0.021	2	108.7087	0.000	3	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6,6]H)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6,6]H)(C[5]C[5,5,6]HH)(H)2{3|H<1>,4|C<4>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.6900	0.000	1	108.7087	0.000	3	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]C)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|H<1>,2|O<2>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.3250	0.000	1	108.3250	0.000	1	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]HH)(H)2{1|Cl<1>,3|C<4>,3|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.9433	0.166	3	107.0534	6.899	5	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	104.2185	0.868	2	107.0534	6.899	5	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5]CC)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5]CC)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.7490	0.000	1	108.7490	0.000	1	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.6690	0.000	1	108.8285	0.051	2	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.9880	0.000	1	108.8285	0.051	2	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]N[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]N[5]HH)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	109.1070	0.000	1	109.1070	0.000	1	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]O)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]O)(C[5]C[5,5,6]HH)(H)2{3|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	106.3855	2.671	2	106.3855	7.133	2	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	109.7020	0.824	2	109.7020	0.680	2	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6a]C[6])(C[5]N[5,5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6a]C[6])(C[5]N[5,5]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>,3|C<3>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	109.5220	0.000	1	109.5220	0.000	1	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[6,6a]C[5,6])(C[5]N[5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3x5,6]C[6,6a]C[5,6])(C[5]N[5,6]HH)(H)2{1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.8395	0.060	2	108.8395	0.004	2	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]O[5,6]H)(C[5]N[5,5,6]CH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3x5,6]O[5,6]H)(C[5]N[5,5,6]CH)(H)2{2|H<1>,3|C<4>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.8100	0.000	1	108.8100	0.000	1	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]O[5,6]H)(C[5]N[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3x5,6]O[5,6]H)(C[5]N[5,5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.9910	0.000	1	108.8825	0.024	2	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]O[5,6]H)(C[5]N[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3x5,6]O[5,6]H)(C[5]N[5,5,6]HH)(H)2{2|H<1>,3|C<4>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.7740	0.000	1	108.8825	0.024	2	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5]C[5,5]HH)(H)2{1|C<3>,1|O<1>,6|C<4>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.3995	0.144	2	108.3995	0.021	2	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5]N[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.8890	0.008	2	108.8890	0.000	2	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[4,5,5,6]C[3,6]N[5])(C[5]C[4,5,5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[4,5,5,6]C[3,6]N[5])(C[5]C[4,5,5]HH)(H)2{1|H<1>,1|O<2>,7|C<4>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.8210	0.000	1	108.8210	0.000	1	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[4x5,6]C[5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[4x5,6]C[5,6]H)(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	109.0900	0.000	1	109.0900	0.000	1	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6,6]C[3x5,6]H)(C[5]N[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6,6]C[3x5,6]H)(C[5]N[5,5,6]HH)(H)2{2|O<2>,4|C<4>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	110.0300	0.000	1	110.0300	0.000	1	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6,6]C[5,5,6]O)(C[5]C[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6,6]C[5,5,6]O)(C[5]C[5]HH)(H)2{2|O<2>,5|C<4>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	109.2050	0.000	1	109.2050	0.000	1	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6,6]C[5,6]C[5])(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6,6]C[5,6]C[5])(C[5]C[5,5,6]HH)(H)2{1|N<3>,1|O<1>,2|O<2>,5|C<4>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	109.0845	0.104	2	109.0845	0.011	2	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6,6]C[5,6]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6,6]C[5,6]C[5])(C[5]C[5]HH)(H)2{1|O<2>,4|H<1>,5|C<4>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	107.7012	2.521	5	107.7012	6.354	5	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5]C[5,6,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5]C[5,6,6]HH)(H)2{3|H<1>,4|C<4>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.9390	0.000	1	108.9390	0.000	1	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.7450	0.000	1	108.7450	0.000	1	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6,6]C[5,6a]C[6])(C[5]N[5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6,6]C[5,6a]C[6])(C[5]N[5,6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,3|C<4>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.2260	0.000	1	108.2260	0.000	1	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6,6]C[6,6a]C[5])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6,6]C[6,6a]C[5])(C[5]C[5,6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>,4|C<3>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.7410	0.000	1	108.5727	0.027	3	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6,6]C[6,6a]C[5])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6,6]C[6,6a]C[5])(C[5]C[5,6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>,3|C<4>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.5620	0.000	1	108.5727	0.027	3	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6,6]C[6,6a]C[5])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6,6]C[6,6a]C[5])(C[5]C[5,6]HH)(H)2{2|C<4>,2|H<1>,2|N<3>,3|C<3>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.4150	0.000	1	108.5727	0.027	3	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6,6]C[6]N[5])(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6,6]C[6]N[5])(C[5]C[5,5,6]HH)(H)2{1|C<3>,2|H<1>,6|C<4>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.9215	0.073	2	108.9215	0.005	2	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]HH)(H)2{1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.7450	0.000	2	108.6670	0.008	4	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]HH)(H)2{1|Br<1>,3|C<4>,3|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.5890	0.000	2	108.6670	0.008	4	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]PdH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]PdH)(H)2{3|C<4>,3|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.8500	0.125	3	108.8500	0.016	3	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2P)(C[5]O[5]HO)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]2P)(C[5]O[5]HO)(H)2{1|C<3>,1|C<4>,1|P<4>,2|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.7065	0.144	2	108.7065	0.021	2	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,5]C[6])(C[5]C[5]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.8705	0.182	2	108.8705	0.033	2	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]2)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6]2)(C[5]C[5,6]HH)(H)2{2|O<2>,4|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.6100	0.000	1	108.6100	0.000	1	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5]C[5,5,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.7360	0.000	1	108.7360	0.000	1	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5]C[5,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.4280	0.365	2	108.4280	0.133	2	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5,5,6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	109.0530	0.000	1	109.0530	0.000	1	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5,5]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,4|C<4>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	106.1440	0.000	1	106.1440	0.000	1	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.7783	0.047	3	108.7500	0.005	4	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]HH)(H)2{2|O<2>,4|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.6650	0.000	1	108.7500	0.005	4	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5,6]C[4]H)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5,6]C[4]H)(H)2{1|C<3>,2|O<2>,7|C<4>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.9433	0.069	4	108.9433	0.005	4	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	109.2177	0.518	4	109.7716	1.735	5	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	111.9870	0.000	1	109.7716	1.735	5	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]HO)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]HO)(H)2{1|Br<1>,1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.9010	0.000	2	108.8747	0.006	12	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]HO)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]HO)(H)2{1|Cl<1>,1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.8694	0.083	10	108.8747	0.006	12	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[3,6])(C[5]N[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[3,6])(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>,3|C<3>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.4450	0.000	1	108.4450	0.000	1	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5]N[5,5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5]N[5,5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	109.1460	0.011	2	109.1460	0.000	2	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]N[5]CH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]N[5]CH)(H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	105.7790	0.000	1	105.7790	0.000	1	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]N[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,3|C<3>,3|C<4>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.7370	0.078	2	109.3510	1.134	3	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]N[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]N[5]HH)(H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	110.5790	0.000	1	109.3510	1.134	3	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]O[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]O[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	109.1815	0.170	2	109.1367	0.021	3	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]O[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]O[5]HH)(H)2{1|Cl<1>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	109.0470	0.000	1	109.1367	0.021	3	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5,6a]O[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5,6a]O[6])(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.3970	0.000	1	108.3970	0.000	1	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(H)2{1|Br<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.8650	0.000	1	108.8364	0.005	7	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.8040	0.090	3	108.8364	0.005	7	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.9240	0.000	1	108.8364	0.005	7	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(H)2{1|O<2>,4|C<4>,5|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.8270	0.035	2	108.8364	0.005	7	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HO)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HO)(H)2{1|O<2>,4|C<4>,5|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.9090	0.000	1	108.9090	0.000	1	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]N[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.7623	0.041	3	108.7993	0.007	4	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]N[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.9100	0.000	1	108.7993	0.007	4	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	109.0600	0.000	1	109.0355	0.001	2	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	109.0110	0.000	1	109.0355	0.001	2	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]O[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[5]O[6])(C[5]C[5]HH)(H)2{1|O<2>,3|C<3>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	109.0360	0.000	1	109.0360	0.000	1	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5,6])(C[5]N[5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5,6])(C[5]N[5,6]HH)(H)2{1|H<1>,3|C<4>,4|C<3>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	109.4520	0.000	1	109.4520	0.000	1	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]CH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]CH)(H)2{2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	106.8925	1.492	4	106.8925	2.227	4	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.6423	0.134	3	108.6235	0.013	4	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.5670	0.000	1	108.6235	0.013	4	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.9585	0.097	6	108.5794	1.014	7	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5]C[5]HH)(H)2{3|C<4>,4|C<3>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	106.3050	0.000	1	108.5794	1.014	7	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]2)(C[5]C[5,5]CH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]C[5,6]2)(C[5]C[5,5]CH)(H)2{1|C<3>,1|H<1>,1|N<3>,6|C<4>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.3040	0.000	1	108.3040	0.000	1	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]CH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]CH)(H)2{1|Si<4>,1|O<1>,3|H<1>,4|C<4>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.0460	0.779	4	108.0460	0.608	4	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.8260	0.000	1	108.9197	0.008	3	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.9665	0.050	2	108.9197	0.008	3	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]N[5]CH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]N[5]CH)(H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.4960	0.000	1	108.4960	0.000	1	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]N[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.7800	0.000	1	112.8245	32.716	2	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]N[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	116.8690	0.000	1	112.8245	32.716	2	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]O[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]O[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.8440	0.000	1	108.8440	0.000	1	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]O[5,6])(C[5]C[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]C[5,6]O[5,6])(C[5]C[5]HH)(H)2{3|H<1>,5|C<4>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.9610	0.000	1	108.9610	0.000	1	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]C[5,6]O[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]C[5,6]O[6])(C[5]C[5]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.9910	0.000	2	108.9910	0.000	2	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]N[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]N[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	109.2900	0.000	1	108.2687	1.749	6	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]N[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]N[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,5|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.0644	1.369	5	108.2687	1.749	6	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]N[5,6]O[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]N[5,6]O[6])(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.7890	0.164	2	108.7890	0.027	2	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]CC)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]CC)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	109.0960	0.000	1	109.0960	0.000	1	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	109.0170	0.000	1	108.9874	0.040	11	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	109.0070	0.000	1	108.9874	0.040	11	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.9910	0.000	1	108.9874	0.040	11	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	109.0339	0.201	7	108.9874	0.040	11	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]HH)(H)2{3|C<4>,5|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.6090	0.000	1	108.9874	0.040	11	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]O[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]O[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	109.1770	0.000	1	109.1770	0.000	1	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6,6]2C[5,6a])(C[5]N[5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6,6]2C[5,6a])(C[5]N[5,6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,3|C<4>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.7970	0.000	1	109.0778	1.497	56	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6,6]2C[5,6a])(C[5]N[5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6,6]2C[5,6a])(C[5]N[5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	109.0010	0.000	1	109.0778	1.497	56	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6,6]2C[5,6a])(C[5]N[5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6,6]2C[5,6a])(C[5]N[5,6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	109.1772	2.849	11	109.0778	1.497	56	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6,6]2C[5,6a])(C[5]N[5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6,6]2C[5,6a])(C[5]N[5,6]HH)(H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	109.0607	0.150	43	109.0778	1.497	56	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6,6]C[5,6]2)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6,6]C[5,6]2)(C[5]N[5,6]HH)(H)2{1|H<1>,1|N<2>,2|C<4>,3|C<3>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	109.2040	0.000	1	109.2260	0.001	2	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6,6]C[5,6]2)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6,6]C[5,6]2)(C[5]N[5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	109.2480	0.000	1	109.2260	0.001	2	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,4|C<3>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	109.0830	0.000	1	108.9506	0.048	33	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2{1|H<1>,1|N<2>,2|C<4>,3|C<3>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	109.0750	0.000	1	108.9506	0.048	33	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	109.1103	0.111	15	108.9506	0.048	33	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.7323	0.140	13	108.9506	0.048	33	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	109.0120	0.191	3	108.9506	0.048	33	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5]HH)(H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	109.4880	0.000	1	109.4880	0.000	1	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6,6]N[5,5,6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6,6]N[5,5,6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	106.3585	3.891	2	106.3585	15.142	2	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6,6]N[5,6]C[5])(C[5]N[5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6,6]N[5,6]C[5])(C[5]N[5,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,3|C<4>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.9723	0.138	3	108.9723	0.019	3	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6,6]O[5,6]C[5])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6,6]O[5,6]C[5])(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.2170	0.000	1	108.2170	0.000	1	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6,6a]C[5,6]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6,6a]C[5,6]C[5])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.9040	0.229	2	108.9040	0.052	2	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.7360	0.000	1	108.0114	3.817	10	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,2|O<2>,3|C<4>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	109.2200	0.000	1	108.0114	3.817	10	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(H)2{1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.7330	0.000	1	108.0114	3.817	10	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	102.6160	0.000	1	108.0114	3.817	10	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(H)2{2|C<4>,2|N<3>,6|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.4682	0.545	6	108.0114	3.817	10	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]2O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]2O[5])(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.6110	0.000	1	108.6110	0.000	1	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]2O[5])(C[5]O[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]2O[5])(C[5]O[5]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.9620	0.000	1	108.9620	0.000	1	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.8090	0.000	1	109.1310	0.207	2	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|O<2>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	109.4530	0.000	1	109.1310	0.207	2	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[5]C[5]HN)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[5]C[5]HN)(H)2{1|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	109.0110	0.000	1	109.0110	0.000	1	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[5]C[6a]2C[5])(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[5]C[6a]2C[5])(H)2{1|N<2>,2|C<4>,5|C<3>,5|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.6475	0.015	2	108.6475	0.000	2	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]N[5,6]C[5])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]N[5,6]C[5])(C[5]C[5,6]HH)(H)2{1|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.6940	0.072	2	108.6940	0.005	2	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]N[5,6]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]N[5,6]C[5])(C[5]C[5]HH)(H)2{1|S<1>,3|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.6480	0.000	1	108.6480	0.000	1	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]N[5,6]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]N[5,6]N[5])(C[5]C[5]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	109.1890	0.000	1	109.1890	0.000	1	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]N[5,6]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]N[5,6]O[5])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.8553	0.140	3	108.8553	0.020	3	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5,6]HO)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5,6]HO)(H)2{4|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.9720	0.000	1	108.9720	0.000	1	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5]CC)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5]CC)(H)2{2|H<1>,3|C<3>,3|C<4>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.6890	0.000	1	108.6890	0.000	1	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.6660	0.000	1	108.6235	0.004	2	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5]HH)(H)2{1|H<1>,2|O<2>,5|C<4>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.5810	0.000	1	108.6235	0.004	2	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	109.0290	0.000	1	109.5722	1.767	4	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]N[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	109.7533	1.566	3	109.5722	1.767	4	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6]O[5,6]O[5])(C[5]C[5,5,6]CO)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6]O[5,6]O[5])(C[5]C[5,5,6]CO)(H)2{2|C<3>,3|C<4>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.9840	0.000	1	108.9840	0.000	1	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]C[5]CC)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]C[5]CC)(H)2{1|N<3>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.5800	0.000	1	108.5800	0.000	1	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]N[5]CH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]N[5]CH)(H)2{1|N<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.5390	0.000	1	108.5390	0.000	1	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]N[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|S<4>,3|C<3>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	109.1990	0.000	1	109.2003	0.203	3	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]N[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]N[5]HH)(H)2{1|H<1>,2|C<3>,2|O<2>,3|C<4>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.7500	0.000	1	109.2003	0.203	3	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]N[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]N[5]HH)(H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	109.6520	0.000	1	109.2003	0.203	3	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,6a]C[5,6]N[5,6])(C[5]C[5]N[5]H)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5,6a]C[5,6]N[5,6])(C[5]C[5]N[5]H)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,5|C<3>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.9270	0.000	1	108.9270	0.000	1	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5a,6]C[5,5]N[5,6])(C[5]C[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[5a,6]C[5,5]N[5,6])(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	112.2050	0.000	1	112.2050	0.000	1	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[6,6a]C[5,5]C[5,6])(C[5]N[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[6,6a]C[5,5]C[5,6])(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,5|C<3>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.7240	0.000	1	108.7555	0.002	2	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[6,6a]C[5,5]C[5,6])(C[5]N[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[6,6a]C[5,5]C[5,6])(C[5]N[5]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.7870	0.000	1	108.7555	0.002	2	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[6,6a]C[5,5]O[5,6])(C[5]C[5]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]C[6,6a]C[5,5]O[5,6])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	109.0675	0.117	2	109.0675	0.014	2	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]N[3x5,6]C[5,6]C[6a])(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]N[3x5,6]C[5,6]C[6a])(C[5]C[5,5,6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.7700	0.000	1	108.7700	0.000	1	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]N[3x5,6]C[5,6]H)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]N[3x5,6]C[5,6]H)(C[5]C[5,5,6]HH)(H)2{1|B<4>,1|S<2>,2|H<1>,3|C<4>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.7740	0.000	1	108.8590	0.016	3	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]N[3x5,6]C[5,6]H)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]N[3x5,6]C[5,6]H)(C[5]C[5,5,6]HH)(H)2{1|B<4>,3|C<4>,3|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	109.0060	0.000	1	108.8590	0.016	3	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]N[3x5,6]C[5,6]H)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	C[5](C[5,5,6]N[3x5,6]C[5,6]H)(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5,6]C[5]H)	H(C[5]C[5,5,6]C[5]H)	108.7970	0.000	1	108.8590	0.016	3	108.8193	1.375	324	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(N[5]C[5]HH)(H)2	H(C[5]C[5,5,6]N[5]H)	H(C[5]C[5,5,6]N[5]H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(N[5]C[5]HH)(H)2{1|O<2>,3|C<4>,6|H<1>}	H(C[5]C[5,5,6]N[5]H)	H(C[5]C[5,5,6]N[5]H)	108.7340	0.095	2	108.7340	0.009	2	108.7340	0.009	2	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]Br)(S[5]C[5]OO)(H)2	H(C[5]C[5,5,6]S[5]H)	H(C[5]C[5,5,6]S[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]Br)(S[5]C[5]OO)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,5,6]S[5]H)	H(C[5]C[5,5,6]S[5]H)	108.5440	0.000	1	108.5440	0.000	1	108.6085	0.008	2	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]Cl)(S[5]C[5]OO)(H)2	H(C[5]C[5,5,6]S[5]H)	H(C[5]C[5,5,6]S[5]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]Cl)(S[5]C[5]OO)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,5,6]S[5]H)	H(C[5]C[5,5,6]S[5]H)	108.6730	0.000	1	108.6730	0.000	1	108.6085	0.008	2	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3x5,6]C[5]H)(C[5,5]C[3x5,6]C[5]O)(H)2	H(C[5]C[5,5]2H)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[3x5,6]C[5]H)(C[5,5]C[3x5,6]C[5]O)(H)2{1|H<1>,2|C<3>,2|O<2>,5|C<4>}	H(C[5]C[5,5]2H)	H(C[5]C[5,5]2H)	107.6140	0.000	1	107.6140	0.000	1	108.6632	1.567	52	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]C)(C[5,5]N[5,5]C[5]H)(H)2	H(C[5]C[5,5]2H)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[3x5]C[5]C)(C[5,5]N[5,5]C[5]H)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5,5]2H)	H(C[5]C[5,5]2H)	108.8083	0.180	4	108.8083	0.032	4	108.6632	1.567	52	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(C[5,5]C[4x5]C[5]C)(H)2	H(C[5]C[5,5]2H)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[3x5]C[5]H)(C[5,5]C[4x5]C[5]C)(H)2{1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5,5]2H)	H(C[5]C[5,5]2H)	109.4750	0.000	1	109.4750	0.000	1	108.6632	1.567	52	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(C[5,5]C[4x5]C[5]H)(H)2	H(C[5]C[5,5]2H)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[3x5]C[5]H)(C[5,5]C[4x5]C[5]H)(H)2{1|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,5]2H)	H(C[5]C[5,5]2H)	108.3205	0.400	2	108.3205	0.160	2	108.6632	1.567	52	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)2(H)2	H(C[5]C[5,5]2H)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[3x5]C[5]H)2(H)2{2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,5]2H)	H(C[5]C[5,5]2H)	108.6210	0.000	1	108.6210	0.000	1	108.6632	1.567	52	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3x5]O[5]O)(C[5,5]C[4x5]C[5]H)(H)2	H(C[5]C[5,5]2H)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[3x5]O[5]O)(C[5,5]C[4x5]C[5]H)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[5]C[5,5]2H)	H(C[5]C[5,5]2H)	109.3800	0.000	1	109.3800	0.000	1	108.6632	1.567	52	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)2(H)2	H(C[5]C[5,5]2H)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5,5,6]C[5]H)2(H)2{2|C<2>,2|C<4>,2|O<2>,4|H<1>}	H(C[5]C[5,5]2H)	H(C[5]C[5,5]2H)	108.8613	0.067	3	108.8613	0.004	3	108.6632	1.567	52	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]2H)2(H)2	H(C[5]C[5,5]2H)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5,5]2H)2(H)2{4|H<1>,6|C<4>}	H(C[5]C[5,5]2H)	H(C[5]C[5,5]2H)	108.6380	0.000	1	108.6380	0.000	1	108.6632	1.567	52	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]2H)(H)2	H(C[5]C[5,5]2H)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]2H)(H)2{1|O<1>,3|H<1>,5|C<4>}	H(C[5]C[5,5]2H)	H(C[5]C[5,5]2H)	109.0030	0.000	1	108.9190	0.014	2	108.6632	1.567	52	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]2H)(H)2	H(C[5]C[5,5]2H)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]2H)(H)2{5|C<4>,5|H<1>}	H(C[5]C[5,5]2H)	H(C[5]C[5,5]2H)	108.8350	0.000	1	108.9190	0.014	2	108.6632	1.567	52	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]O[5]H)(H)2	H(C[5]C[5,5]2H)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]O[5]H)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,5]2H)	H(C[5]C[5,5]2H)	106.6335	2.808	2	106.6335	7.884	2	108.6632	1.567	52	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2N[5])(H)2	H(C[5]C[5,5]2H)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2N[5])(H)2{1|N<3>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	H(C[5]C[5,5]2H)	H(C[5]C[5,5]2H)	108.8520	0.061	2	108.8520	0.004	2	108.6632	1.567	52	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]3)(H)2	H(C[5]C[5,5]2H)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]3)(H)2{1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]2H)	H(C[5]C[5,5]2H)	109.0570	0.000	1	109.0570	0.000	1	108.6632	1.567	52	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]2)(H)2	H(C[5]C[5,5]2H)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]O[5]2)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5]2H)	H(C[5]C[5,5]2H)	106.2885	4.017	2	106.2885	16.137	2	108.6632	1.567	52	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]N[5,5]C[5]H)(H)2	H(C[5]C[5,5]2H)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]N[5,5]C[5]H)(H)2{1|N<3>,1|S<2>,2|C<4>,5|H<1>}	H(C[5]C[5,5]2H)	H(C[5]C[5,5]2H)	108.9234	0.043	5	108.9234	0.002	5	108.6632	1.567	52	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)2(H)2	H(C[5]C[5,5]2H)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5,5]C[5]H)2(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5,5]2H)	H(C[5]C[5,5]2H)	107.0205	2.705	2	108.2529	1.933	7	108.6632	1.567	52	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)2(H)2	H(C[5]C[5,5]2H)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5,5]C[5]H)2(H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[5]C[5,5]2H)	H(C[5]C[5,5]2H)	108.6200	0.000	1	108.2529	1.933	7	108.6632	1.567	52	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)2(H)2	H(C[5]C[5,5]2H)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5,5]C[5]H)2(H)2{1|C<3>,3|C<4>,6|H<1>}	H(C[5]C[5,5]2H)	H(C[5]C[5,5]2H)	108.7620	0.000	1	108.2529	1.933	7	108.6632	1.567	52	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)2(H)2	H(C[5]C[5,5]2H)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5,5]C[5]H)2(H)2{1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5]2H)	H(C[5]C[5,5]2H)	108.7490	0.066	2	108.2529	1.933	7	108.6632	1.567	52	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)2(H)2	H(C[5]C[5,5]2H)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5,5]C[5]H)2(H)2{2|C<2>,2|C<4>,2|O<2>,4|H<1>}	H(C[5]C[5,5]2H)	H(C[5]C[5,5]2H)	108.8490	0.000	1	108.2529	1.933	7	108.6632	1.567	52	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]H)(C[5,5]C[5]2N[5])(H)2	H(C[5]C[5,5]2H)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5,5]C[5]2N[5])(H)2{1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5,5]2H)	H(C[5]C[5,5]2H)	108.6610	0.000	1	108.6610	0.000	1	108.6632	1.567	52	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,6]C)(C[5,5]C[5,6a]C[5]2)(H)2	H(C[5]C[5,5]2H)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5,5]N[5,6]C)(C[5,5]C[5,6a]C[5]2)(H)2{1|N<3>,1|O<1>,1|O<2>,3|C<3>,4|C<4>}	H(C[5]C[5,5]2H)	H(C[5]C[5,5]2H)	108.4120	0.000	1	108.4120	0.000	1	108.6632	1.567	52	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(C[5,5]C[5,5]O[5]H)(H)2	H(C[5]C[5,5]2H)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5,5]O[5]C)(C[5,5]C[5,5]O[5]H)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5]2H)	H(C[5]C[5,5]2H)	112.7180	0.000	1	111.4975	2.979	2	108.6632	1.567	52	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(C[5,5]C[5,5]O[5]H)(H)2	H(C[5]C[5,5]2H)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5,5]O[5]C)(C[5,5]C[5,5]O[5]H)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5]2H)	H(C[5]C[5,5]2H)	110.2770	0.000	1	111.4975	2.979	2	108.6632	1.567	52	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]O[5]2)(H)2	H(C[5]C[5,5]2H)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]O[5]2)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5]2H)	H(C[5]C[5,5]2H)	108.8970	0.204	5	108.8970	0.042	5	108.6632	1.567	52	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5,6a]C[5]2)(H)2	H(C[5]C[5,5]2H)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5,6a]C[5]2)(H)2{1|H<1>,2|N<3>,2|O<1>,6|C<3>}	H(C[5]C[5,5]2H)	H(C[5]C[5,5]2H)	108.7575	0.062	2	108.7575	0.004	2	108.6632	1.567	52	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5,5]C[5]3)(H)2	H(C[5]C[5,5]2H)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5]2N[5])(C[5,5]C[5]3)(H)2{1|C<3>,2|C<4>,2|O<1>,2|O<2>,6|H<1>}	H(C[5]C[5,5]2H)	H(C[5]C[5,5]2H)	108.9390	0.000	1	108.9390	0.000	1	108.6632	1.567	52	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5,5]C[5]3)(H)2	H(C[5]C[5,5]2H)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5]O[5]2)(C[5,5]C[5]3)(H)2{1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(C[5]C[5,5]2H)	H(C[5]C[5,5]2H)	108.8465	0.016	2	108.8893	0.006	3	108.6632	1.567	52	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5,5]C[5]3)(H)2	H(C[5]C[5,5]2H)	H(C[5]C[5,5]2H)	C[5](C[5,5]C[5]O[5]2)(C[5,5]C[5]3)(H)2{2|C<3>,2|C<4>,7|H<1>}	H(C[5]C[5,5]2H)	H(C[5]C[5,5]2H)	108.9750	0.000	1	108.8893	0.006	3	108.6632	1.567	52	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(C[5,5]C[5]3)(H)2	H(C[5]C[5,5]2H)	H(C[5]C[5,5]2H)	C[5](C[5,5]N[5,5]C[5]C)(C[5,5]C[5]3)(H)2{2|C<4>,2|O<1>,2|O<2>,4|H<1>}	H(C[5]C[5,5]2H)	H(C[5]C[5,5]2H)	108.8975	0.073	2	108.8975	0.005	2	108.6632	1.567	52	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5,6,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6,6]C[5]C[6])(C[5,6,6]C[5,3x6]O[6,6]H)(H)2	H(C[5]C[5,6,6]C[5,5]H)	H(C[5]C[5,6,6]C[5,5]H)	C[5](C[5,5]C[5,5,6,6]C[5]C[6])(C[5,6,6]C[5,3x6]O[6,6]H)(H)2{1|H<1>,1|O<1>,4|C<4>,4|O<2>}	H(C[5]C[5,6,6]C[5,5]H)	H(C[5]C[5,6,6]C[5,5]H)	108.9390	0.000	1	108.9390	0.000	1	108.9250	0.000	2	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5,6,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6,6]C[5,6a]C[5])(C[5,6,6]N[5,3x6]C[6,6]H)(H)2	H(C[5]C[5,6,6]C[5,5]H)	H(C[5]C[5,6,6]C[5,5]H)	C[5](C[5,5]C[5,6,6]C[5,6a]C[5])(C[5,6,6]N[5,3x6]C[6,6]H)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	H(C[5]C[5,6,6]C[5,5]H)	H(C[5]C[5,6,6]C[5,5]H)	108.9110	0.000	1	108.9110	0.000	1	108.9250	0.000	2	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]2O)(H)2	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]2O)(H)2{1|O<2>,2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	109.2890	0.000	1	109.2890	0.000	1	109.0358	0.562	58	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,3|O<2>,4|H<1>}	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	108.7210	0.000	1	108.7910	0.005	3	109.0358	0.562	58	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|C<4>,4|H<1>,4|O<2>}	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	108.8650	0.000	1	108.7910	0.005	3	109.0358	0.562	58	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,1|N<3>,1|O<2>,7|H<1>}	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	108.7870	0.000	1	108.7910	0.005	3	109.0358	0.562	58	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[6]C)(H)2	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[6]C)(H)2{1|N<2>,2|H<1>,4|C<4>}	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	109.8560	0.000	1	109.8560	0.000	1	109.0358	0.562	58	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[6]H)(H)2	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[6]H)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	109.2890	0.000	1	109.1765	0.025	2	109.0358	0.562	58	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[6]H)(H)2	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[6]H)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	109.0640	0.000	1	109.1765	0.025	2	109.0358	0.562	58	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]O)(C[5,6]C[5,6]C[6]H)(H)2	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5,6]C[5]O)(C[5,6]C[5,6]C[6]H)(H)2{1|H<1>,1|O<1>,2|C<3>,4|C<4>}	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	108.6890	0.024	2	108.6890	0.001	2	109.0358	0.562	58	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5a]O[5])(C[5,6]C[5,6]C[6]H)(H)2	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5,6]C[5a]O[5])(C[5,6]C[5,6]C[6]H)(H)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	108.9950	0.000	1	108.9950	0.000	1	109.0358	0.562	58	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]O[5]H)(C[5,6]C[5,6]O[5,6]C)(H)2	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5,6]O[5]H)(C[5,6]C[5,6]O[5,6]C)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	109.0120	0.000	1	108.9630	0.005	2	109.0358	0.562	58	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]O[5]H)(C[5,6]C[5,6]O[5,6]C)(H)2	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5,6]O[5]H)(C[5,6]C[5,6]O[5,6]C)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	108.9140	0.000	1	108.9630	0.005	2	109.0358	0.562	58	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5,6]C[5]C[6]2)(H)2	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5,6]C[5]C[6]2)(H)2{2|C<4>,3|C<3>,6|H<1>}	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	108.6880	0.000	1	108.6880	0.000	1	109.0358	0.562	58	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5,6]C[6]2O[5])(H)2	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5,6]C[6]2O[5])(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	108.8050	0.000	1	108.8050	0.000	1	109.0358	0.562	58	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|C<4>,1|O<2>,2|N<2>,5|H<1>}	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	109.0320	0.000	1	108.8787	0.060	6	109.0358	0.562	58	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	109.3130	0.000	1	108.8787	0.060	6	109.0358	0.562	58	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	108.7318	0.024	4	108.8787	0.060	6	109.0358	0.562	58	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(H)2	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(H)2{1|C<2>,4|C<4>,4|H<1>}	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	108.9480	0.000	1	109.8847	3.026	8	109.0358	0.562	58	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(H)2	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	110.4115	0.421	2	109.8847	3.026	8	109.0358	0.562	58	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(H)2	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(H)2{2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	108.0530	0.916	2	109.8847	3.026	8	109.0358	0.562	58	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(H)2	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(H)2{4|C<4>,5|H<1>}	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	111.0670	1.978	3	109.8847	3.026	8	109.0358	0.562	58	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O)(C[5,6]C[5,6]C[6]H)(H)2	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5]C[5]O)(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|N<3>,3|C<4>,5|H<1>}	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	108.7640	0.000	1	108.7640	0.000	1	109.0358	0.562	58	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O)(C[5,6]N[5,6]C[6]H)(H)2	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5]C[5]O)(C[5,6]N[5,6]C[6]H)(H)2{1|C<3>,2|H<1>,6|C<4>}	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	108.9580	0.000	1	108.9580	0.000	1	109.0358	0.562	58	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5,6]C[5]C[6]2)(H)2	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5]N[5]H)(C[5,6]C[5]C[6]2)(H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	109.1400	0.000	1	109.1400	0.000	1	109.0358	0.562	58	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]C)(H)2	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]C)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	109.0450	0.000	1	109.0450	0.000	1	109.0358	0.562	58	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H)(H)2	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	109.0630	0.000	1	109.0630	0.000	1	109.0358	0.562	58	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6]C[5]O[5])(C[5,6]C[5,6]N[6]H)(H)2	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,6]C[5]O[5])(C[5,6]C[5,6]N[6]H)(H)2{1|C<3>,3|H<1>,6|C<4>}	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	109.0965	0.062	2	109.0965	0.004	2	109.0358	0.562	58	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5a])(C[5,6]N[5,6]C[6]S)(H)2	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5a])(C[5,6]N[5,6]C[6]S)(H)2{1|H<1>,1|O<1>,2|N<3>,5|C<3>}	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	108.7900	0.000	1	108.7900	0.000	1	109.0358	0.562	58	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5,6]N[5,6]C[6]H)(H)2	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5,6]N[5,6]C[6]H)(H)2{1|H<1>,1|O<1>,2|N<3>,3|C<3>}	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	109.1490	0.000	1	109.1490	0.000	1	109.0358	0.562	58	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]N[5,6]C[6]H)(H)2	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]N[5,6]C[6]H)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	108.7570	0.000	1	108.7570	0.000	1	109.0358	0.562	58	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(H)2	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,1|O<1>,2|N<3>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	108.9350	0.000	1	108.9350	0.000	1	109.0358	0.562	58	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]N)(H)2	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]N)(H)2{1|N<3>,1|N<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	108.3810	0.000	1	108.6540	0.024	5	109.0358	0.562	58	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]N)(H)2	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]N)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>,2|N<3>,3|C<4>}	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	108.7323	0.036	3	108.6540	0.024	5	109.0358	0.562	58	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]N)(H)2	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]N)(H)2{1|O<1>,2|C<3>,2|N<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	108.6920	0.000	1	108.6540	0.024	5	109.0358	0.562	58	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]O)(H)2	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]O)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>,2|N<3>,3|C<4>}	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	108.5930	0.000	1	108.5930	0.000	1	109.0358	0.562	58	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]N[5,6]C[6]H)(H)2	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]N[5,6]C[6]H)(H)2{1|H<1>,2|N<3>,2|O<1>,4|C<3>}	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	109.2180	0.000	1	109.2180	0.000	1	109.0358	0.562	58	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5,6]C[6]C)(H)2	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5,6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	108.7070	0.000	1	108.7070	0.000	1	109.0358	0.562	58	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5,6]C[6]H)(H)2	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5,6]C[6]H)(H)2{1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	108.7890	0.000	1	108.7890	0.000	1	109.0358	0.562	58	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5,6]C[5]C[6]2)(H)2	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5]2N[5])(C[5,6]C[5]C[6]2)(H)2{1|C<4>,1|H<1>,2|N<3>,3|C<3>,4|O<1>}	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	108.6910	0.000	1	108.6910	0.000	1	109.0358	0.562	58	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]2)(H)2	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]2)(H)2{2|C<3>,2|C<4>,7|H<1>}	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	108.8390	0.000	1	108.8647	0.001	3	109.0358	0.562	58	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]2)(H)2	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]2)(H)2{2|C<3>,3|C<4>,6|H<1>}	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	108.9060	0.000	1	108.8647	0.001	3	109.0358	0.562	58	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]2)(H)2	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]2)(H)2{2|C<4>,3|C<3>,6|H<1>}	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	108.8490	0.000	1	108.8647	0.001	3	109.0358	0.562	58	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5,6]C[5]H)(C[5,6]C[6,6]O[5,6]C)(H)2	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]N[5,5,6]C[5]H)(C[5,6]C[6,6]O[5,6]C)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	109.5420	0.000	1	108.7490	1.258	2	109.0358	0.562	58	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5,6]C[5]H)(C[5,6]C[6,6]O[5,6]C)(H)2	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]N[5,5,6]C[5]H)(C[5,6]C[6,6]O[5,6]C)(H)2{3|H<1>,4|C<4>}	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	107.9560	0.000	1	108.7490	1.258	2	109.0358	0.562	58	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,4|C<4>,4|H<1>}	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	108.8040	0.000	1	108.9697	0.031	3	109.0358	0.562	58	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2{1|N<3>,4|C<4>,4|H<1>}	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	109.0525	0.145	2	108.9697	0.031	3	109.0358	0.562	58	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5]C[6]2)(H)2	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5]C[6]2)(H)2{1|C<4>,1|O<1>,3|C<3>,6|H<1>}	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	109.0000	0.000	1	109.0000	0.000	1	109.0358	0.562	58	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3,5,5]C[5,6]H)(C[5]C[3,5]CC)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3,5,5]C[5,6]H)(C[5]C[3,5]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.3860	0.000	1	108.3860	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]CH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9130	0.054	3	108.9130	0.003	3	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9550	0.000	1	108.9550	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3,5,5]N[5]C)(C[5]C[3,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3,5,5]N[5]C)(C[5]C[3,5]HH)(H)2{1|Si<4>,1|H<1>,1|N<3>,2|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.6250	0.000	1	108.6250	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3,5,5]N[5]H)(C[5]C[3,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3,5,5]N[5]H)(C[5]C[3,5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.2010	0.000	1	109.2010	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3,5,5]O[5]H)(C[5]C[3,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3,5,5]O[5]H)(C[5]C[3,5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0673	0.077	3	109.0673	0.006	3	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3,5]C[5,6]O[5])(C[5]C[5]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3,5]C[5,6]O[5])(C[5]C[5]CH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.6310	0.000	1	108.6310	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3,5]C[5,6]O[5])(C[5]C[5]CO)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3,5]C[5,6]O[5])(C[5]C[5]CO)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8240	0.000	1	108.8240	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3,5]C[5,6]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3,5]C[5,6]O[5])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,5|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9657	0.062	3	108.9657	0.004	3	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3,5]C[5]2)(C[5]S[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3,5]C[5]2)(C[5]S[5]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.5240	0.000	1	108.5240	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3,5]C[5]O[5])(C[5]C[3,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3,5]C[5]O[5])(C[5]C[3,5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.2860	0.000	1	109.2860	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3,5]N[5,5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3,5]N[5,5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1128	0.112	4	109.0900	0.012	5	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3,5]N[5,5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3,5]N[5,5]H)(C[5]C[5]HH)(H)2{2|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9990	0.000	1	109.0900	0.012	5	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5,6]HO)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5,6]HO)(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.5500	0.132	2	108.5500	0.017	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.5940	0.188	2	108.9778	0.144	5	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0780	0.000	1	108.9778	0.144	5	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.2260	0.000	1	108.9778	0.144	5	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.3970	0.000	1	108.9778	0.144	5	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3x5,6]N[5,5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5,6]N[5,5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.3990	0.076	4	109.3267	0.016	6	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3x5,6]N[5,5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5,6]N[5,5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1820	0.035	2	109.3267	0.016	6	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3x5,6]N[5]H)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5,6]N[5]H)(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|S<4>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	114.0490	0.000	1	114.0490	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3x5,6]O[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5,6]O[5]H)(C[5]C[5,5]HH)(H)2{1|C<3>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9880	0.000	1	108.7260	0.137	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3x5,6]O[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5,6]O[5]H)(C[5]C[5,5]HH)(H)2{2|C<3>,2|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.4640	0.000	1	108.7260	0.137	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]C)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]C[5]C)(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<1>,2|C<4>,2|O<2>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9750	0.000	1	108.9750	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]C[5]C)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	130.9050	0.000	1	130.9050	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]C)(C[5]C[5]SiH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]C[5]C)(C[5]C[5]SiH)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0100	0.000	1	109.0100	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]C)(C[5]N[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]C[5]C)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0330	0.000	1	108.9923	0.001	3	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]C)(C[5]N[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]C[5]C)(C[5]N[5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9720	0.008	2	108.9923	0.001	3	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.3605	0.105	2	108.9031	0.086	11	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0270	0.081	2	108.9031	0.086	11	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|N<3>,2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8535	0.040	2	108.9031	0.086	11	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8297	0.081	3	108.9031	0.086	11	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.4815	0.008	2	108.9031	0.086	11	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HO)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1710	0.000	1	109.1710	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]CC)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]CC)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7370	0.000	1	108.7888	0.004	5	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]CC)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]CC)(H)2{1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8017	0.063	4	108.7888	0.004	5	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0145	0.028	2	108.9137	0.031	3	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7120	0.000	1	108.9137	0.031	3	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(C[5]N[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|O<2>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	105.9702	6.423	6	105.9702	41.249	6	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(C[5]N[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9650	0.031	2	108.9650	0.001	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(C[5]O[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]O[5]HH)(H)2{2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.2800	0.010	2	109.2800	0.000	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]O[5])(C[5]N[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]C[5]O[5])(C[5]N[5,5]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0630	0.000	1	109.0630	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3x5]N[5]H)(C[5]C[5,5]CC)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]N[5]H)(C[5]C[5,5]CC)(H)2{1|C<3>,1|H<1>,1|S<4>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9000	0.052	2	108.9000	0.003	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5]CC)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5]CC)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7867	0.034	3	108.7867	0.001	3	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7340	0.000	1	108.9287	0.079	3	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8020	0.000	1	108.9287	0.079	3	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5]HH)(H)2{2|C<3>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.2500	0.000	1	108.9287	0.079	3	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[4,3x5]C[5]C)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[4,3x5]C[5]C)(C[5]C[5,5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1650	0.000	1	107.9090	3.155	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[4,3x5]C[5]C)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[4,3x5]C[5]C)(C[5]C[5,5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	106.6530	0.000	1	107.9090	3.155	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[4,3x5]C[5]H)(C[5]C[4,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[4,3x5]C[5]H)(C[5]C[4,5]HH)(H)2{3|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	105.7110	0.000	1	105.7110	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[4,3x5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[4,3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	107.9960	0.000	1	107.9700	0.001	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[4,3x5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[4,3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	107.9440	0.000	1	107.9700	0.001	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[4,3x5]C[5]O)(C[5]C[4,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[4,3x5]C[5]O)(C[5]C[4,5]HH)(H)2{2|H<1>,5|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0650	0.000	1	110.2410	2.766	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[4,3x5]C[5]O)(C[5]C[4,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[4,3x5]C[5]O)(C[5]C[4,5]HH)(H)2{3|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	111.4170	0.000	1	110.2410	2.766	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[4,3x5]C[5]O)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[4,3x5]C[5]O)(C[5]C[5,5]HH)(H)2{2|H<1>,5|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.3550	0.000	1	106.9135	4.156	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[4,3x5]C[5]O)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[4,3x5]C[5]O)(C[5]C[5,5]HH)(H)2{3|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	105.4720	0.000	1	106.9135	4.156	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[4,5,5]C[5]C)(C[5]C[4,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[4,5,5]C[5]C)(C[5]C[4,5]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7360	0.000	1	108.7360	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[4,5,5]C[5]H)(C[5]C[4,5,5]HO)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[4,5,5]C[5]H)(C[5]C[4,5,5]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.6510	0.054	4	108.6510	0.003	4	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[4,5,5]C[5]H)(C[5]C[4,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[4,5,5]C[5]H)(C[5]C[4,5]HH)(H)2{3|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7183	0.085	3	108.7183	0.007	3	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[4,5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[4,5,5]C[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.2550	0.000	1	109.2550	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[4,5,5]O[5]C)(C[5]C[4,5]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[4,5,5]O[5]C)(C[5]C[4,5]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8010	0.000	1	108.8010	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[4,5,5]O[5]H)(C[5]C[4,5]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[4,5,5]O[5]H)(C[5]C[4,5]CH)(H)2{2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0880	0.000	1	109.0880	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[4,5,5]O[5]H)(C[5]C[4,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[4,5,5]O[5]H)(C[5]C[4,5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0800	0.000	1	109.0800	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[4,5]N[5,5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[4,5]N[5,5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	106.6740	0.000	1	106.6740	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[4x5]C[5]C)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[4x5]C[5]C)(C[5]C[5,5]HH)(H)2{3|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.3840	0.000	1	109.3840	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[4x5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[4x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.5000	0.000	1	109.3886	3.157	5	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[4x5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[4x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|N<4>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.3607	2.050	4	109.3886	3.157	5	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[4x5]C[5]H)(C[5]N[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[4x5]C[5]H)(C[5]N[5,5]HH)(H)2{1|B<4>,2|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1145	3.993	2	109.1145	15.944	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[4x5]O[5]H)(C[5]C[3x5]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[4x5]O[5]H)(C[5]C[3x5]CH)(H)2{1|C<3>,4|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0140	0.000	1	109.0140	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,3x6]C[5,6a]O)(C[5]N[5,6,6]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,3x6]C[5,6a]O)(C[5]N[5,6,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.6960	0.000	1	108.6960	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6,6]C[5,6a]O)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6,6]C[5,6a]O)(C[5]N[5,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8750	0.004	2	108.8750	0.000	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9443	0.058	3	108.9443	0.003	3	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7572	0.204	5	108.7708	0.035	6	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8390	0.000	1	108.7708	0.035	6	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]N[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.5340	0.000	1	108.5340	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5,6a]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5,6a]C)(C[5]C[5,6]HH)(H)2{1|N<3>,2|C<4>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1610	0.000	1	109.1610	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5,6a]O)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5,6a]O)(C[5]N[5,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9830	0.000	1	108.9830	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]C)(C[5]C[5,6]CC)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]C)(C[5]C[5,6]CC)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7470	0.000	1	108.7470	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]C)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7740	0.000	1	108.8766	0.056	5	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]C)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>,2|O<2>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9075	0.036	2	108.8766	0.056	5	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]C)(C[5]C[5,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.5730	0.000	1	108.8766	0.056	5	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]C)(C[5]C[5,6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.2210	0.000	1	108.8766	0.056	5	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8500	0.000	1	108.8500	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6,6]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6,6]HH)(H)2{1|N<3>,2|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.6610	0.000	1	108.6610	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,1|S<2>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.6990	0.000	1	108.1541	5.596	15	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.6410	0.000	1	108.1541	5.596	15	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.5900	0.000	2	108.1541	5.596	15	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9350	0.000	1	108.1541	5.596	15	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9950	0.000	1	108.1541	5.596	15	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	111.6650	0.000	1	108.1541	5.596	15	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7000	0.000	1	108.1541	5.596	15	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|N<4>,2|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.4980	0.000	1	108.1541	5.596	15	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0685	0.049	2	108.1541	5.596	15	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7940	0.074	2	108.1541	5.596	15	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|Si<4>,1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	102.6370	0.000	2	108.1541	5.596	15	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]CC)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.6120	0.000	1	108.6120	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2{1|C<2>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	107.7500	1.362	4	109.1713	5.482	21	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7060	0.000	1	109.1713	5.482	21	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7170	0.000	1	109.1713	5.482	21	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	111.3200	0.000	1	109.1713	5.482	21	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2{1|H<1>,6|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	110.0295	4.118	6	109.1713	5.482	21	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.6455	0.896	2	109.1713	5.482	21	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9885	0.083	2	109.1713	5.482	21	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8943	0.013	3	109.1713	5.482	21	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7260	0.000	1	109.1713	5.482	21	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HO)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7920	0.000	1	108.7920	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]O[5]HH)(H)2{1|C<3>,4|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0310	0.000	1	109.0310	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]N[5])(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]N[5])(C[5]C[5,5,6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9750	0.000	1	108.9750	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[6a]O[5])(C[5]C[5,6]C[6a]H)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]C[6a]O[5])(C[5]C[5,6]C[6a]H)(H)2{1|C<4>,1|H<1>,1|N<2>,6|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8150	0.000	1	108.8150	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]HH)(H)2{1|Ru<11>,2|C<3>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.6870	0.000	1	108.6870	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|N<3>,1|O<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9040	0.000	1	108.9040	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]CO)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]CO)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	107.4360	0.000	2	108.0943	0.588	4	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]CO)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]CO)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7525	0.176	2	108.0943	0.588	4	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,2|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9280	0.000	1	108.8323	0.011	3	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8510	0.000	1	108.8323	0.011	3	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7180	0.000	1	108.8323	0.011	3	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]O[5]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]O[5]CH)(H)2{3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.2870	0.000	1	109.2870	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]O[5]O)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]O[5]O)(C[5]C[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.2150	0.000	1	109.2150	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]O[5]O)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5,6]O[5]O)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7140	0.000	2	108.7140	0.000	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]2C[5])(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]2C[5])(C[5]C[5,5]HH)(H)2{2|N<2>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.4910	0.000	1	109.4910	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]2C[6a])(C[5]C[6a]N[5]H)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]2C[6a])(C[5]C[6a]N[5]H)(H)2{1|H<1>,1|O<2>,3|C<4>,5|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.6258	0.063	5	108.6258	0.004	5	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]2H)(C[5]C[5]CC)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]2H)(C[5]C[5]CC)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8490	0.000	1	108.8337	0.000	3	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]2H)(C[5]C[5]CC)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]2H)(C[5]C[5]CC)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8260	0.020	2	108.8337	0.000	3	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]2H)(C[5]C[5]CO)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]2H)(C[5]C[5]CO)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9833	0.052	6	108.9833	0.003	6	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]2H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.2860	0.000	1	108.2702	2.242	5	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]2H)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7960	0.000	1	108.2702	2.242	5	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]2H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,2|N<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8260	0.034	2	108.2702	2.242	5	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]2H)(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	105.6170	0.000	1	108.2702	2.242	5	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]2H)(C[5]O[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]2H)(C[5]O[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9930	0.195	5	108.9930	0.038	5	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]2H)(C[5]O[5]HO)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]2H)(C[5]O[5]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0080	0.000	1	109.0080	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]2O)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]2O)(C[5]C[5]HH)(H)2{3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.4970	0.000	1	108.4970	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]Br)(C[5]O[5]HO)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5,6]Br)(C[5]O[5]HO)(H)2{5|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9490	0.000	1	108.9490	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.5920	0.000	1	108.6220	0.022	7	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8690	0.000	1	108.6220	0.022	7	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.6635	0.144	2	108.6220	0.022	7	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.6220	0.000	1	108.6220	0.022	7	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.4720	0.058	2	108.6220	0.022	7	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]C[5])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5,6]C[5])(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,5|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.6670	0.000	1	108.6670	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.5170	0.000	1	108.2700	0.122	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.0230	0.000	1	108.2700	0.122	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]O)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5,6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	107.2360	0.000	1	107.3920	1.334	3	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]O)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5,6]O)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	107.4700	1.622	2	107.3920	1.334	3	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5,6]O[5])(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,2|O<2>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0370	0.000	1	109.0370	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]2)(C[5]C[5,5]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8560	0.000	1	108.8560	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.6230	0.055	2	108.6230	0.003	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]CC)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]CC)(H)2{1|O<1>,2|C<3>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.1230	0.000	1	108.1230	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]CH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.6920	0.000	1	108.7912	1.200	6	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0505	0.245	2	108.7912	1.200	6	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.5135	2.371	2	108.7912	1.200	6	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]CH)(H)2{1|C<4>,1|N<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9270	0.000	1	108.7912	1.200	6	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.3005	0.047	2	109.1223	0.725	19	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0350	0.000	1	109.1223	0.725	19	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.6910	0.000	1	109.1223	0.725	19	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8870	0.000	1	109.1223	0.725	19	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.5735	0.059	2	109.1223	0.725	19	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|O<2>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9710	0.000	1	109.1223	0.725	19	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9760	0.000	1	109.1223	0.725	19	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8480	0.000	1	109.1223	0.725	19	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|H<1>,2|O<2>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	112.4290	0.000	1	109.1223	0.725	19	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.5940	0.000	1	109.1223	0.725	19	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|O<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9465	0.050	2	109.1223	0.725	19	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1470	0.000	1	109.1223	0.725	19	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7590	0.232	3	109.1223	0.725	19	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2{3|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8280	0.000	1	109.1223	0.725	19	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HO)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.5450	0.000	2	108.5450	0.000	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]PtH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]PtH)(H)2{3|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	110.7455	0.721	2	110.7455	0.519	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]PtO)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]PtO)(H)2{3|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	107.7365	2.512	2	107.7365	6.312	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5]C)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5]C)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.5450	0.000	1	108.5450	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5]H)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9670	0.000	1	108.9670	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]O[5]H)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]O[5]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8050	0.000	1	108.8050	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]N[5]CC)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]N[5]CC)(H)2{1|C<3>,2|B<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.6380	0.000	1	108.6380	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]N[5]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]N[5]CH)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.2600	0.000	1	109.0160	0.119	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]N[5]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]N[5]CH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7720	0.000	1	109.0160	0.119	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]N[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]N[5]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1420	0.000	1	109.1420	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5,5]HH)(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.2857	0.035	9	109.2857	0.001	9	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5]HH)(H)2{1|Si<4>,1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.2277	0.014	3	109.2277	0.000	3	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(H)2{1|C<3>,1|N<2>,1|O<2>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.4010	0.000	1	109.0870	0.197	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7730	0.000	1	109.0870	0.197	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0752	0.047	4	109.0752	0.002	4	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6]HO)(H)2{1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8535	0.021	2	108.8535	0.000	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]2H)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]2H)(H)2{1|C<3>,1|N<2>,3|O<2>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8820	0.000	1	108.8820	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(H)2{1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7385	0.100	2	108.6987	0.010	3	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(H)2{2|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.6190	0.000	1	108.6987	0.010	3	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(H)2{1|C<3>,1|O<2>,2|N<2>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8780	0.000	1	108.8272	0.021	6	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(H)2{1|C<4>,1|N<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8880	0.016	2	108.8272	0.021	6	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9670	0.000	1	108.8272	0.021	6	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.5520	0.000	1	108.8272	0.021	6	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7900	0.000	1	108.8272	0.021	6	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CO)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CO)(H)2{2|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.4509	0.022	7	109.4509	0.000	7	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]ClC)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]ClC)(H)2{1|C<4>,3|H<1>,3|O<2>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.4790	0.000	1	108.4790	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<2>,1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.4240	0.000	1	109.3701	2.573	57	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<2>,1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.6410	0.000	1	109.3701	2.573	57	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<2>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9220	0.000	1	109.3701	2.573	57	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8565	0.175	2	109.3701	2.573	57	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9110	0.000	1	109.3701	2.573	57	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.6384	1.379	5	109.3701	2.573	57	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1240	0.000	1	109.3701	2.573	57	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0230	0.000	1	109.3701	2.573	57	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7140	0.298	3	109.3701	2.573	57	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0190	0.000	1	109.3701	2.573	57	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8618	0.102	4	109.3701	2.573	57	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7660	0.000	1	109.3701	2.573	57	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	110.8445	2.662	2	109.3701	2.573	57	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.5833	0.013	3	109.3701	2.573	57	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9800	0.000	1	109.3701	2.573	57	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8820	0.000	1	109.3701	2.573	57	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8226	0.120	5	109.3701	2.573	57	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0780	0.000	1	109.3701	2.573	57	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.6490	0.000	1	109.3701	2.573	57	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	110.8430	0.000	1	109.3701	2.573	57	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	106.1070	0.000	1	109.3701	2.573	57	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.2660	0.000	1	109.3701	2.573	57	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|H<1>,2|O<3>,4|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.3615	0.090	2	109.3701	2.573	57	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1340	0.000	1	109.3701	2.573	57	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9460	0.000	1	109.3701	2.573	57	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9550	0.000	1	109.3701	2.573	57	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|N<4>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8190	0.000	1	109.3701	2.573	57	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	112.2370	1.655	2	109.3701	2.573	57	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	118.2160	0.000	1	109.3701	2.573	57	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9490	0.150	2	109.3701	2.573	57	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>,2|N<2>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.7667	1.251	3	109.3701	2.573	57	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{2|C<3>,2|N<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.8580	0.000	1	109.3701	2.573	57	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{2|N<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9120	0.000	1	109.3701	2.573	57	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{3|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0910	0.082	2	109.3701	2.573	57	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HN)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HN)(H)2{2|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.6200	1.937	4	109.6200	3.751	4	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(H)2{1|C<2>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1470	0.000	1	108.4516	1.240	5	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.6610	0.000	1	108.4516	1.240	5	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	106.4930	0.000	1	108.4516	1.240	5	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8380	0.000	1	108.4516	1.240	5	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1190	0.000	1	108.4516	1.240	5	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]IrH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]IrH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.6653	0.145	4	109.6653	0.021	4	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]N[5]H)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]N[5]H)(H)2{2|H<1>,2|O<2>,4|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1220	0.000	1	109.1220	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O[5]H)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O[5]H)(H)2{1|H<1>,2|O<2>,5|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1710	0.000	1	109.1710	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]PdH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]PdH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0303	0.662	3	109.0303	0.438	3	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6]O[5]H)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6]O[5]H)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.2020	0.000	1	109.1628	0.035	4	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6]O[5]H)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6]O[5]H)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0630	0.000	1	109.1628	0.035	4	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6]O[5]H)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6]O[5]H)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1930	0.301	2	109.1628	0.035	4	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]O)(H)2{1|C<3>,1|N<2>,2|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.5803	0.234	12	107.4111	26.783	26	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]O)(H)2{2|C<3>,2|C<4>,2|F<1>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7890	0.000	1	107.4111	26.783	26	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]O)(H)2{2|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.6090	0.000	1	107.4111	26.783	26	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]O)(H)2{2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	106.0273	7.545	12	107.4111	26.783	26	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]Rh)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]Rh)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.4623	0.125	9	109.4623	0.016	9	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5]H)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5]H)(H)2{1|C<4>,1|S<2>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1200	0.000	1	109.1200	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5]H)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5]H)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9750	0.000	1	108.9550	0.001	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5]H)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5]H)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9350	0.000	1	108.9550	0.001	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]CC)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]CC)(H)2{1|Cu<2>,1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8545	0.083	2	108.8545	0.007	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	107.9790	0.000	1	108.4180	0.382	4	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	107.7970	0.000	1	108.4180	0.382	4	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]CH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|S<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8970	0.000	1	108.4180	0.382	4	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]CH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9990	0.000	1	108.4180	0.382	4	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|S<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0660	0.000	1	108.9608	0.006	11	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9443	0.087	7	108.9608	0.006	11	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9430	0.000	1	108.9608	0.006	11	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9720	0.000	1	108.9608	0.006	11	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(H)2{3|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9780	0.000	1	108.9608	0.006	11	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CH)(H)2{1|C<3>,1|O<2>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.4350	0.000	1	109.4350	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9960	0.000	1	109.4292	0.565	8	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	111.2720	0.000	1	109.4292	0.565	8	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0370	0.000	1	109.4292	0.565	8	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1440	0.000	1	109.4292	0.565	8	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(H)2{1|H<1>,1|N<2>,1|N<3>,1|O<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.2260	0.000	1	109.4292	0.565	8	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(H)2{2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.2530	0.035	3	109.4292	0.565	8	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HO)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.4715	0.381	2	109.4715	0.145	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]CH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|O<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.3530	0.000	1	108.3530	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5,5]HH)(H)2{1|Fe<10>,1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8205	0.006	2	108.7640	0.006	6	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5,5]HH)(H)2{1|Fe<10>,1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.6930	0.000	1	108.7640	0.006	6	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5,5]HH)(H)2{1|Fe<10>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8610	0.000	1	108.7640	0.006	6	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5,5]HH)(H)2{1|Fe<10>,2|H<1>,5|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.6945	0.002	2	108.7640	0.006	6	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8120	0.000	1	109.0086	0.012	12	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,5|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1260	0.006	4	109.0086	0.012	12	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5]HH)(H)2{1|Fe<10>,1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0150	0.037	2	109.0086	0.012	12	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5]HH)(H)2{1|Fe<10>,1|O<1>,2|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9110	0.038	3	109.0086	0.012	12	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5]HH)(H)2{1|Fe<10>,1|O<1>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9870	0.000	1	109.0086	0.012	12	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5]HH)(H)2{1|Fe<10>,4|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0370	0.000	1	109.0086	0.012	12	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]O[5]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]O[5]CH)(H)2{2|H<1>,2|O<2>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.3230	0.000	1	109.3230	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9380	0.000	1	108.7620	0.062	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]CH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.5860	0.000	1	108.7620	0.062	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]FH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]FH)(H)2{1|C<4>,2|O<2>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7940	0.000	1	108.7940	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9160	0.000	1	108.8364	0.043	7	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>,3|O<2>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9520	0.201	2	108.8364	0.043	7	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9480	0.000	1	108.8364	0.043	7	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7120	0.000	1	108.8364	0.043	7	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9220	0.000	1	108.8364	0.043	7	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.4530	0.000	1	108.8364	0.043	7	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[6a]O[5]H)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[6a]O[5]H)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	106.8575	3.444	2	106.8575	11.863	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5,5]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.2455	0.022	2	109.2455	0.000	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0630	0.000	1	108.9866	0.007	5	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9265	0.093	2	108.9866	0.007	5	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0085	0.078	2	108.9866	0.007	5	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]Rh)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]Rh)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.2143	0.037	3	109.2143	0.001	3	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]Ru)(C[5]C[5]CC)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]Ru)(C[5]C[5]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0115	0.006	2	109.0115	0.000	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]Ru)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]Ru)(C[5]C[5]HH)(H)2{1|Si<4>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.2100	0.086	2	109.2148	0.015	4	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]Ru)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]Ru)(C[5]C[5]HH)(H)2{2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.2195	0.192	2	109.2148	0.015	4	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]S)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]S)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1690	0.000	1	109.1690	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]Si)(C[5]C[6a]O[5]H)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]Si)(C[5]C[6a]O[5]H)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9035	0.180	8	108.9035	0.032	8	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5a]C[5])(C[5]C[5]HH)(H)2{1|N<3>,1|P<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9313	0.040	6	108.9313	0.002	6	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8860	0.000	1	108.8860	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5]H)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5]H)(H)2{2|C<2>,2|H<1>,7|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1190	0.000	1	109.1190	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0185	0.006	2	109.1090	0.025	3	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]N[5]HH)(H)2{2|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.2900	0.000	1	109.1090	0.025	3	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5]C[6a]C[5]H)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5]C[6a]C[5]H)(H)2{1|S<4>,2|H<1>,7|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9660	0.000	1	108.9660	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[6a]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[6a]O[5])(C[5]C[5]HH)(H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1860	0.000	1	109.1860	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]C[5])(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5,5]C[5])(C[5]C[5,5]HH)(H)2{1|Fe<10>,1|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.2245	0.139	2	109.0650	0.086	3	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]C[5])(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5,5]C[5])(C[5]C[5,5]HH)(H)2{1|Fe<10>,2|H<1>,5|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7460	0.000	1	109.0650	0.086	3	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|S<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.2750	0.000	1	108.9222	0.045	19	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9087	0.172	6	108.9222	0.045	19	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.6270	0.000	1	108.9222	0.045	19	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,1|P<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0610	0.228	3	108.9222	0.045	19	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2{1|Si<4>,1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8800	0.257	4	108.9222	0.045	19	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7947	0.072	3	108.9222	0.045	19	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(H)2{3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0800	0.000	1	108.9222	0.045	19	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HN)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HN)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7020	0.000	1	108.7020	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5,6]H)(C[5]C[5]HH)(H)2{1|Se<2>,2|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9250	0.000	1	108.9250	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	107.4130	0.000	1	108.7533	0.375	7	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8480	0.000	1	108.7533	0.375	7	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0300	0.134	2	108.7533	0.375	7	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]HH)(H)2{1|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8545	0.104	2	108.7533	0.375	7	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.2430	0.000	1	108.7533	0.375	7	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[6a]O[5]H)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[6a]O[5]H)(H)2{1|C<4>,1|O<2>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0340	0.000	1	109.0340	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]FH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]FH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.6700	0.098	2	108.6700	0.010	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(H)2{1|B<4>,1|H<1>,1|O<1>,2|N<2>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	105.5150	0.000	1	108.7059	1.824	11	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9210	0.081	2	108.7059	1.824	11	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|S<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.8400	1.378	3	108.7059	1.824	11	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|S<2>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.1880	0.000	1	108.7059	1.824	11	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|S<4>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7380	0.000	1	108.7059	1.824	11	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.5490	0.000	1	108.7059	1.824	11	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(H)2{1|Ni<5>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7065	0.071	2	108.7059	1.824	11	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[6a]C[5]H)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[6a]C[5]H)(H)2{1|H<1>,1|S<4>,4|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1420	0.000	1	109.1420	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[6a]O[5]H)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[6a]O[5]H)(H)2{1|H<1>,1|N<3>,1|O<2>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0810	0.000	1	109.0810	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]2)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]2)(C[5]C[5,6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0880	0.000	1	109.0360	0.005	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]2)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]2)(C[5]C[5,6]HH)(H)2{1|O<2>,2|C<4>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9840	0.000	1	109.0360	0.005	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]2)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]2)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8640	0.000	1	108.8640	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]CH)(H)2{2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.6570	0.000	1	108.6570	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]HO)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7960	0.000	2	108.7960	0.000	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]HH)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.2640	0.000	1	109.2640	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(C[5]P[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]C)(C[5]P[5]HH)(H)2{1|H<1>,1|N<2>,1|O<1>,2|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.2480	0.000	1	108.2480	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[3,5]CO)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[3,5]CO)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	107.1355	1.631	4	107.1355	2.660	4	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CO)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CO)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	107.2050	1.348	4	107.2050	1.816	4	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	107.1900	0.000	1	107.9935	1.291	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7970	0.000	1	107.9935	1.291	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(H)2{1|C<3>,4|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.6810	0.000	1	108.6810	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5a]C[5]H)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5a]C[5]H)(H)2{2|C<3>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0780	0.046	3	109.0780	0.002	3	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9545	0.053	2	108.9700	0.002	4	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9855	0.059	2	108.9700	0.002	4	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CO)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CO)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1010	0.000	1	109.1010	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.2940	0.020	2	109.2940	0.000	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	116.6660	0.000	1	110.1697	10.131	6	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[5]HH)(H)2{1|O<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8360	0.000	1	110.1697	10.131	6	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8790	0.058	4	110.1697	10.131	6	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]S[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]S[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.4450	0.000	1	109.4450	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5a]C[5,5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5a]C[5,5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7670	0.000	1	108.7670	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5a]C[5,5]H)(C[5]O[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5a]C[5,5]H)(C[5]O[5]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1320	0.000	1	109.1320	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5a]C[5,5]O)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5a]C[5,5]O)(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7720	0.130	2	108.7720	0.017	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5a]C[5,5]O)(C[5]C[6a]C[5]H)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5a]C[5,5]O)(C[5]C[6a]C[5]H)(H)2{1|N<3>,2|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9040	0.000	1	108.9040	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5a]C[5]N[5])(C[5]C[5,5a]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5a]C[5]N[5])(C[5]C[5,5a]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.3600	0.000	1	108.3600	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6]C[5]2)(C[5]C[5,6]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6]C[5]2)(C[5]C[5,6]CH)(H)2{1|O<1>,1|O<2>,2|H<1>,5|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9090	0.000	1	108.9090	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6]C[5]2)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6]C[5]2)(C[5]C[5,6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.6910	0.000	1	108.6910	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6]C[5]2)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6]C[5]2)(C[5]N[5,6]HH)(H)2{1|H<1>,2|O<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.6660	0.000	1	108.6660	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6]C[5]N[5])(C[5]N[5,6]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6]C[5]N[5])(C[5]N[5,6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1010	0.000	1	109.1010	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6]C[5]N[5])(C[5]N[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6]C[5]N[5])(C[5]N[5]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8330	0.000	1	108.8330	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	112.5610	6.375	2	108.6462	13.814	9	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.3070	0.804	5	108.6462	13.814	9	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5,6]HH)(H)2{2|H<1>,6|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	102.6430	0.000	1	108.6462	13.814	9	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.5160	0.000	1	108.6462	13.814	9	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	106.4040	0.000	1	108.5669	0.825	8	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9566	0.275	5	108.5669	0.825	8	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.6740	0.103	2	108.5669	0.825	8	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6]N[5,5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6]N[5,5]H)(C[5]C[5]HH)(H)2{1|N<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7720	0.000	1	107.7990	2.938	3	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6]N[5,5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6]N[5,5]H)(C[5]C[5]HH)(H)2{3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	107.3125	2.111	2	107.7990	2.938	3	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6]N[5]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6]N[5]O[5])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7355	0.054	2	108.7355	0.003	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6]O[5]2)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6]O[5]2)(C[5]C[5,6]HH)(H)2{1|H<1>,5|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.6848	0.176	12	108.6848	0.031	12	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6]O[5]2)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6]O[5]2)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1850	0.000	1	109.1850	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]CC)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]CC)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.3397	0.723	24	108.3397	0.522	24	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]C[6a]C)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]C[6a]C)(H)2{1|N<3>,1|O<1>,6|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.4590	0.000	1	108.4590	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8258	0.105	13	108.8258	0.011	13	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]CH)(H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7053	0.174	3	108.7053	0.030	3	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]HH)(H)2{4|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7800	0.089	2	108.7800	0.008	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]CC)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]CC)(H)2{1|H<1>,1|S<4>,4|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.6490	0.000	1	108.4265	0.099	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]CC)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]CC)(H)2{1|S<4>,5|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.2040	0.000	1	108.4265	0.099	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]2O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]2O[5])(C[5]C[5]HH)(H)2{2|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0340	0.000	1	109.0340	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]3)(C[5]C[5,6a]CC)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]3)(C[5]C[5,6a]CC)(H)2{6|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.2575	0.066	2	108.2575	0.004	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[3,5]C[5])(C[5]C[3,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[3,5]C[5])(C[5]C[3,5]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8550	0.000	1	108.8550	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[3x5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[3x5]H)(C[5]C[5,5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9010	0.028	2	108.9010	0.001	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[3x5]O)(C[5]N[5,5]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[3x5]O)(C[5]N[5,5]CH)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.5270	0.016	3	108.5270	0.000	3	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]2)(C[5]N[5]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]2)(C[5]N[5]CH)(H)2{1|C<4>,1|N<2>,5|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8825	0.124	2	108.9250	0.008	4	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]2)(C[5]N[5]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]2)(C[5]N[5]CH)(H)2{1|H<1>,1|N<3>,1|S<4>,2|C<4>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9675	0.037	2	108.9250	0.008	4	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]2)(C[5]N[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]2)(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,1|S<4>,2|C<4>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9955	0.035	4	109.0254	0.005	11	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]2)(C[5]N[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]2)(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,2|C<4>,4|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9830	0.091	2	109.0254	0.005	11	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]2)(C[5]N[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]2)(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,3|C<3>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0662	0.069	5	109.0254	0.005	11	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]Br)(C[5]N[5]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]Br)(C[5]N[5]CH)(H)2{1|H<1>,1|N<3>,1|S<4>,2|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.2710	0.000	1	109.2710	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]Br)(C[5]N[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]Br)(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.2420	0.000	1	109.2420	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>,2|O<2>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9760	0.147	4	108.9760	0.022	4	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[6a]N[5]C)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[6a]N[5]C)(H)2{1|N<3>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.2845	0.266	4	109.2845	0.071	4	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]N[5]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]N[5]CH)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1140	0.543	3	109.1140	0.295	3	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]N[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7560	0.000	1	108.8824	0.024	5	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]N[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8410	0.000	1	108.8824	0.024	5	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]N[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,1|S<4>,2|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0405	0.066	2	108.8824	0.024	5	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]N[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]N[5]HH)(H)2{1|H<1>,2|C<3>,2|N<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7340	0.000	1	108.8824	0.024	5	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]O[5]CO)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]O[5]CO)(H)2{1|N<3>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7310	0.000	1	108.7310	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]O[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]O[5]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0860	0.000	1	109.0860	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]N[5]H)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]N[5]H)(H)2{1|N<3>,1|O<1>,7|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0570	0.000	1	109.0570	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]CO)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]CO)(H)2{1|N<3>,1|O<1>,5|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8660	0.000	1	108.8660	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,4|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8850	0.000	1	108.9680	0.014	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|N<3>,1|S<4>,2|C<3>,2|H<1>,2|S<2>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0510	0.000	1	108.9680	0.014	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]O[5]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]O[5]CH)(H)2{1|N<3>,1|O<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9270	0.000	1	108.9270	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]O[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]O[5]HH)(H)2{1|H<1>,2|N<3>,4|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.3080	0.000	1	109.2015	0.023	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]O[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]O[5]HH)(H)2{1|N<3>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0950	0.000	1	109.2015	0.023	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5]N[5]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5]N[5]CH)(H)2{1|H<1>,1|N<3>,5|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8250	0.000	1	108.8250	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5]N[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,5|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9630	0.000	1	108.9630	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5]O[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5]O[5]HH)(H)2{1|C<4>,1|N<3>,4|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1000	0.000	1	109.1835	0.014	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5]O[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5]O[5]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.2670	0.000	1	109.1835	0.014	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]F)(C[5]N[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]F)(C[5]N[5]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0930	0.000	1	109.0930	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]CH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7595	0.176	2	108.7595	0.031	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.3320	0.000	1	109.3320	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]O[5]H)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]O[5]H)(H)2{1|H<1>,1|N<3>,4|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1183	0.083	4	109.1183	0.007	4	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]CH)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9460	0.175	2	108.9460	0.031	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]HH)(H)2{1|C<2>,1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8430	0.000	2	108.8430	0.000	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.2048	0.080	4	109.4463	2.287	14	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.6984	2.189	7	109.4463	2.287	14	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(H)2{1|N<3>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1800	0.195	3	109.4463	2.287	14	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]N[5]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]N[5]CH)(H)2{1|H<1>,1|N<3>,1|S<4>,2|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.4860	0.028	2	108.7886	0.119	5	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]N[5]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]N[5]CH)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9903	0.293	3	108.7886	0.119	5	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]N[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,1|S<4>,2|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8350	0.000	1	108.8350	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]N[5]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]N[5]CH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1840	0.000	1	109.1840	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]N[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]N[5]HH)(H)2{1|N<3>,4|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9990	0.000	1	108.9990	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]O[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]O[5]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9840	0.000	1	108.9840	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]O[5])(C[5]N[6a]C[5]H)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]O[5])(C[5]N[6a]C[5]H)(H)2{1|H<1>,1|O<1>,2|N<3>,4|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9560	0.047	2	108.9560	0.002	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.6080	0.000	1	108.7095	0.021	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8110	0.000	1	108.7095	0.021	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0230	0.000	1	108.8488	0.012	5	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8053	0.058	4	108.8488	0.012	5	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,6]O[5])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,6]O[5])(C[5]C[5,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.4530	0.000	1	108.4530	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]C[6a]H)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]C[6a]H)(H)2{1|H<1>,1|N<3>,1|O<1>,7|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8935	0.144	2	108.8935	0.021	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]C[6a]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]C[6a]O)(H)2{1|H<1>,1|N<3>,1|O<1>,7|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.5836	0.125	5	108.5830	0.012	6	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]C[6a]O)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]C[6a]O)(H)2{1|H<1>,1|O<1>,8|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.5800	0.000	1	108.5830	0.012	6	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7160	0.000	1	108.8010	0.003	5	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HH)(H)2{1|N<3>,2|O<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8222	0.038	4	108.8010	0.003	5	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0785	0.476	2	109.0785	0.226	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CC)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CC)(H)2{1|C<4>,1|N<2>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.6090	0.081	2	108.6090	0.006	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(H)2{1|H<1>,1|O<1>,2|N<3>,4|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8867	0.095	4	108.7024	0.046	11	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(H)2{1|I<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.5570	0.000	1	108.7024	0.046	11	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(H)2{1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.4675	0.047	2	108.7024	0.046	11	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(H)2{1|O<1>,2|H<1>,2|N<3>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.6718	0.230	4	108.7024	0.046	11	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CO)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CO)(H)2{1|O<1>,2|H<1>,2|N<3>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.4830	0.000	1	108.4830	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0815	0.562	2	108.9564	0.103	5	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7010	0.000	1	108.9564	0.103	5	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,2|O<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9590	0.000	2	108.9564	0.103	5	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]N[5]C)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]N[5]C)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.4773	1.631	6	108.4773	2.659	6	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]O[5]H)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]O[5]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.3080	0.000	1	109.0655	0.118	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]O[5]H)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]O[5]H)(H)2{1|H<1>,1|N<2>,1|O<2>,5|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8230	0.000	1	109.0655	0.118	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.6650	0.000	1	108.7580	0.017	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CH)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8510	0.000	1	108.7580	0.017	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|S<4>,2|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0670	0.000	1	108.9322	0.014	5	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|N<2>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7920	0.000	1	108.9322	0.014	5	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|O<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8690	0.000	1	108.9322	0.014	5	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9665	0.110	2	108.9322	0.014	5	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]O[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]O[5]HH)(H)2{1|H<1>,1|N<2>,1|N<3>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1450	0.000	1	109.0500	0.018	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]O[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]O[5]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9550	0.000	1	109.0500	0.018	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,5]C[6a]H)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,5]C[6a]H)(H)2{1|H<1>,1|N<3>,1|O<1>,6|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1420	0.000	1	109.1420	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7502	0.160	5	108.7492	0.010	12	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7416	0.047	5	108.7492	0.010	12	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7910	0.000	1	108.7492	0.010	12	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7400	0.000	1	108.7492	0.010	12	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7086	0.132	5	108.8316	0.029	11	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0575	0.021	2	108.8316	0.029	11	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,1|S<4>,2|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8257	0.065	3	108.8316	0.029	11	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0130	0.000	1	108.8316	0.029	11	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]CH)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	111.0050	0.000	1	111.0050	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]HH)(H)2{1|N<3>,1|O<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.5510	0.035	2	108.5510	0.001	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]CH)(H)2{1|O<1>,2|C<3>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0870	0.000	1	109.0870	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)(H)2{1|Br<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9145	0.039	2	108.9638	0.008	6	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)(H)2{1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8760	0.000	1	108.9638	0.008	6	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)(H)2{1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9735	0.006	2	108.9638	0.008	6	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)(H)2{1|N<3>,1|O<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1310	0.000	1	108.9638	0.008	6	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[6a]C[5]H)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[6a]C[5]H)(H)2{1|H<1>,1|N<3>,1|O<1>,5|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0020	0.000	1	109.0020	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[6a]N[5]H)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[6a]N[5]H)(H)2{1|C<4>,1|S<4>,6|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.3245	0.037	2	108.3245	0.001	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C[5a])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]N[5,5]C[5a])(C[5]C[5]HH)(H)2{1|N<2>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.2160	0.000	1	109.2160	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C[6a])(C[5]C[5]CC)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]N[5,5]C[6a])(C[5]C[5]CC)(H)2{2|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8110	0.000	1	108.8110	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,6]C[5])(C[5]C[5,6]HS)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]N[5,6]C[5])(C[5]C[5,6]HS)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.6810	0.000	1	108.6810	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5,6]HH)(H)2{1|C<4>,4|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1780	0.000	1	109.1780	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[6a]N[5]H)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[6a]N[5]H)(H)2{6|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9370	0.000	1	108.9370	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]O[5]2)(C[5]N[5,6a]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]O[5]2)(C[5]N[5,6a]HH)(H)2{2|C<3>,2|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8900	0.127	2	108.8900	0.016	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]O[5]2)(C[5]N[5]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,6a]O[5]2)(C[5]N[5]CH)(H)2{4|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0200	0.000	1	109.0200	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.6520	0.024	2	108.5685	0.010	4	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.4850	0.054	2	108.5685	0.010	4	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2{1|C<2>,1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.4640	0.000	1	108.9784	0.242	25	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2{1|C<2>,1|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8220	0.000	1	108.9784	0.242	25	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8990	0.000	1	108.9784	0.242	25	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,5|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0524	0.481	5	108.9784	0.242	25	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|S<1>,5|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7780	0.106	2	108.9784	0.242	25	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9050	0.000	1	108.9784	0.242	25	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,1|S<4>,2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.6565	0.037	2	108.9784	0.242	25	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7420	0.000	1	108.9784	0.242	25	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|O<1>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	110.8330	0.000	1	108.9784	0.242	25	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.4380	0.000	1	108.9784	0.242	25	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2{1|C<4>,3|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0810	0.000	1	108.9784	0.242	25	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.2000	0.000	1	108.9784	0.242	25	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2{1|O<2>,1|S<4>,2|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9525	0.254	2	108.9784	0.242	25	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2{1|S<4>,2|C<4>,6|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9880	0.000	1	108.9784	0.242	25	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7235	0.408	2	108.9784	0.242	25	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9030	0.000	1	108.9784	0.242	25	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(H)2{3|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7020	0.000	1	108.9784	0.242	25	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HO)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HO)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0280	0.000	1	109.0280	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(H)2{1|S<4>,2|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.6110	0.000	1	108.6110	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5]H)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5]H)(H)2{2|C<4>,2|H<1>,2|S<4>,4|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.6455	0.004	2	108.6455	0.000	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]O[5]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]O[5]CH)(H)2{1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9580	0.000	1	109.0500	0.017	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]O[5]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]O[5]CH)(H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1420	0.000	1	109.0500	0.017	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]O[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|O<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	110.0210	0.000	1	110.0257	6.612	9	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]O[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]O[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0853	0.253	4	110.0257	6.612	9	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]O[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]O[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	116.8100	0.000	1	110.0257	6.612	9	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]O[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]O[5]HH)(H)2{1|H<1>,1|N<2>,1|O<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9220	0.000	1	110.0257	6.612	9	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]O[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]O[5]HH)(H)2{1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8600	0.000	1	110.0257	6.612	9	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5]O[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2N[5])(C[5]O[5]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.2770	0.000	1	110.0257	6.612	9	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9460	0.178	2	108.9750	0.018	3	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5,5]HH)(H)2{1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0330	0.000	1	108.9750	0.018	3	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]CH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8310	0.000	1	108.8310	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9793	0.241	3	109.1196	0.845	25	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.6250	0.000	1	109.1196	0.845	25	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8430	0.000	1	109.1196	0.845	25	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,6|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7080	0.000	1	109.1196	0.845	25	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8700	0.000	1	109.1196	0.845	25	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9303	0.085	3	109.1196	0.845	25	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2{1|N<2>,2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8010	0.000	1	109.1196	0.845	25	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8040	0.191	2	109.1196	0.845	25	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	113.3450	0.000	1	109.1196	0.845	25	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.2058	0.421	5	109.1196	0.845	25	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2{2|H<1>,6|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8405	0.368	2	109.1196	0.845	25	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9100	0.000	1	109.1196	0.845	25	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2{3|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0005	0.227	2	109.1196	0.845	25	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(H)2{3|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8390	0.000	1	109.1196	0.845	25	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]N[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2O[5])(C[5]N[5]HH)(H)2{2|C<4>,6|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	112.3810	0.000	1	112.3810	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[5]O[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]2O[5])(C[5]O[5]HH)(H)2{1|H<1>,1|N<2>,1|O<1>,2|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1840	0.000	1	109.1840	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]CC)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]C[5]CC)(H)2{1|C<3>,2|N<3>,2|O<1>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.4320	0.000	1	108.4830	0.005	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]CC)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]C[5]CC)(H)2{1|C<4>,1|N<3>,2|O<1>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.5340	0.000	1	108.4830	0.005	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7780	0.170	2	108.6600	0.244	36	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.3530	0.000	1	108.6600	0.244	36	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,6|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0010	0.000	1	108.6600	0.244	36	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	106.0250	0.000	1	108.6600	0.244	36	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,5|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.2650	0.301	2	108.6600	0.244	36	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,8|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8743	0.113	6	108.6600	0.244	36	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2{1|N<2>,2|C<4>,7|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7235	0.071	2	108.6600	0.244	36	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2{1|N<2>,3|C<4>,6|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.6820	0.000	1	108.6600	0.244	36	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0320	0.000	1	108.6600	0.244	36	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7669	0.140	7	108.6600	0.244	36	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,3|H<1>,3|O<2>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.5480	0.000	1	108.6600	0.244	36	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,2|O<1>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.6680	0.000	1	108.6600	0.244	36	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2{1|Si<4>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.6546	0.062	5	108.6600	0.244	36	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2{2|C<4>,2|N<3>,6|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7660	0.000	1	108.6600	0.244	36	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2{2|N<3>,2|O<1>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7035	0.026	2	108.6600	0.244	36	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)2{2|O<1>,2|O<2>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9295	0.216	2	108.6600	0.244	36	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]N[5]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]N[5]CH)(H)2{1|S<4>,2|C<3>,2|H<1>,2|O<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.5950	0.000	1	108.5950	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]N[5]CO)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]N[5]CO)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.6520	0.000	1	108.6520	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]N[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0080	0.000	1	108.9172	0.027	6	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]N[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]N[5]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.6980	0.000	1	108.9172	0.027	6	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]N[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]N[5]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,5|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9605	0.029	2	108.9172	0.027	6	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]N[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]N[5]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7450	0.000	1	108.9172	0.027	6	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]N[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]N[5]HH)(H)2{1|O<1>,1|S<4>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1310	0.000	1	108.9172	0.027	6	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1800	0.000	1	109.0596	0.011	7	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(H)2{1|C<4>,1|N<3>,2|H<1>,2|O<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9735	0.098	2	109.0596	0.011	7	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1510	0.000	1	109.0596	0.011	7	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(H)2{1|N<2>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0260	0.000	1	109.0596	0.011	7	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1510	0.000	1	109.0596	0.011	7	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9620	0.000	1	109.0596	0.011	7	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]N[5]2)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]N[5]2)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0160	0.081	2	108.5188	1.471	5	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]N[5]2)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]N[5]2)(C[5]C[5]HH)(H)2{1|N<2>,2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.6830	0.000	1	108.5188	1.471	5	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]N[5]2)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]N[5]2)(C[5]C[5]HH)(H)2{1|N<2>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	107.9395	2.164	2	108.5188	1.471	5	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]CC)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]CC)(H)2{1|H<1>,2|C<3>,2|O<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7275	0.108	2	108.7275	0.012	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]CH)(H)2{1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8885	0.107	2	108.8885	0.011	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8370	0.000	1	108.9257	0.014	7	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8680	0.063	3	108.9257	0.014	7	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0130	0.130	3	108.9257	0.014	7	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[6a]N[5]H)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[6a]N[5]H)(H)2{3|C<4>,5|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7230	0.000	1	108.7230	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]N[5]S[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]N[5]S[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.0045	2.669	2	108.0045	7.125	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]2H)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]2H)(H)2{1|C<3>,1|O<2>,2|H<1>,5|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1480	0.000	1	106.0583	27.288	3	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]2H)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]2H)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	104.5135	6.345	2	106.0583	27.288	3	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]CC)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]CC)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.2500	0.000	1	108.2500	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]CH)(H)2{2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1210	0.086	2	109.1210	0.007	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]ClH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]ClH)(H)2{1|Br<1>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0410	0.000	1	109.0410	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7060	0.011	2	108.9967	0.466	31	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(H)2{1|H<1>,5|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0797	0.251	4	108.9967	0.466	31	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9900	0.000	1	108.9967	0.466	31	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(H)2{2|C<3>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1340	0.000	1	108.9967	0.466	31	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1453	0.308	15	108.9967	0.466	31	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(H)2{2|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	107.9943	2.079	3	108.9967	0.466	31	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(H)2{3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1762	0.151	5	108.9967	0.466	31	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HN)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HN)(H)2{1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.4100	0.000	1	109.4100	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HO)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HO)(H)2{3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	111.0975	3.255	2	111.0975	10.594	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]2C[5])(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]2C[5])(H)2{1|C<4>,4|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1750	0.000	1	109.1750	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]O[5]2)(C[5]N[5]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]O[5]2)(C[5]N[5]CH)(H)2{1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0390	0.000	1	109.0390	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]S[5]2)(C[5]C[5]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5]S[5]2)(C[5]C[5]CH)(H)2{3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8110	0.000	1	108.8110	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[3x5]C[5]C)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[3x5]C[5]C)(C[5]C[5,5]HH)(H)2{1|Pd<4>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0080	0.000	1	108.8077	0.034	3	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[3x5]C[5]C)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[3x5]C[5]C)(C[5]C[5,5]HH)(H)2{1|Pt<4>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7075	0.090	2	108.8077	0.034	3	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]Br2)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]Br2)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.2105	0.077	2	109.2105	0.006	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]BrH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]BrH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1980	0.000	1	109.1980	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8530	0.000	1	109.0157	0.020	18	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1110	0.199	2	109.0157	0.020	18	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7590	0.000	1	109.0157	0.020	18	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1265	0.120	4	109.0157	0.020	18	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|Pd<4>,2|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0560	0.038	2	109.0157	0.020	18	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|Pd<4>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0290	0.000	1	109.0157	0.020	18	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|Pt<4>,2|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8605	0.009	2	109.0157	0.020	18	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|Pt<4>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9625	0.071	2	109.0157	0.020	18	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0520	0.122	3	109.0157	0.020	18	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[3x5]C[5]O)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[3x5]C[5]O)(C[5]C[5,5]HH)(H)2{1|Br<1>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.2360	0.000	1	109.2360	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5,6]C[5,5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5,6]C[5,5]H)(C[5]C[5]HH)(H)2{1|In<5>,1|N<4>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8010	0.000	1	108.8010	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]2)(C[5]C[5,5]C[5]C)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]2)(C[5]C[5,5]C[5]C)(H)2{1|H<1>,1|O<2>,2|C<4>,2|O<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.6180	0.000	1	108.6180	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]2)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]2)(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,6|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0740	0.319	3	109.0740	0.102	3	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1130	0.000	1	109.0540	0.007	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]CH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9950	0.000	1	109.0540	0.007	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9420	0.000	1	109.3119	0.706	17	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9440	0.000	1	109.3119	0.706	17	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.3070	0.068	2	109.3119	0.706	17	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8347	0.125	3	109.3119	0.706	17	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.5298	1.045	10	109.3119	0.706	17	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HO)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HO)(H)2{2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0280	0.000	1	109.0280	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[6a]C[5]C)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[6a]C[5]C)(H)2{1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.5500	0.000	1	108.5500	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(C[5]O[5]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]O[5]CH)(H)2{1|O<1>,2|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.2200	0.000	1	109.2200	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]F)(C[5]C[6a]O[5]H)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]F)(C[5]C[6a]O[5]H)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8590	0.000	1	108.8590	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]F)(C[5]O[5]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]F)(C[5]O[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0780	0.000	1	109.0780	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CC)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8450	0.000	1	108.8450	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1370	0.000	1	109.1130	0.001	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0890	0.000	1	109.1130	0.001	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.2910	0.066	2	109.2910	0.004	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CC)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7580	0.000	1	109.6092	1.535	5	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CC)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CC)(H)2{1|C<3>,1|N<3>,1|S<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.6150	0.000	1	109.6092	1.535	5	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CC)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CC)(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	110.2243	1.283	3	109.6092	1.535	5	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8740	0.000	1	109.7050	1.381	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	110.5360	0.000	1	109.7050	1.381	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|B<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0390	0.000	1	108.8653	1.788	117	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7880	0.000	1	108.8653	1.788	117	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7525	0.243	2	108.8653	1.788	117	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0530	0.228	2	108.8653	1.788	117	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.4110	0.000	1	108.8653	1.788	117	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.2080	0.000	1	108.8653	1.788	117	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0399	0.728	39	108.8653	1.788	117	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7590	0.000	1	108.8653	1.788	117	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0137	0.212	3	108.8653	1.788	117	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|N<2>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8180	0.000	1	108.8653	1.788	117	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|I<1>,2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.5065	0.377	2	108.8653	1.788	117	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	104.0049	7.136	2	108.8653	1.788	117	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	107.9530	1.399	2	108.8653	1.788	117	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|O<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	113.4000	0.000	1	108.8653	1.788	117	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1715	0.070	2	108.8653	1.788	117	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1747	0.131	3	108.8653	1.788	117	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.4890	0.000	1	108.8653	1.788	117	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|N<3>,1|P<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	107.9412	2.406	5	108.8653	1.788	117	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|N<3>,1|S<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7350	0.000	1	108.8653	1.788	117	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9377	0.068	7	108.8653	1.788	117	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,1|P<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7900	0.192	2	108.8653	1.788	117	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.3120	0.000	1	108.8653	1.788	117	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|O<2>,1|P<4>,2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1581	0.212	18	108.8653	1.788	117	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|B<4>,2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7200	0.000	1	108.8653	1.788	117	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.2870	0.049	2	108.8653	1.788	117	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|Pd<4>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.5060	0.000	1	108.8653	1.788	117	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|Pd<4>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	107.6430	2.606	2	108.8653	1.788	117	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	104.3590	0.000	1	108.8653	1.788	117	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0040	0.000	1	108.8653	1.788	117	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9532	0.113	6	108.8653	1.788	117	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8522	0.117	4	108.8653	1.788	117	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HN)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HN)(H)2{1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	110.6455	2.302	2	110.6455	5.298	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1220	0.270	2	108.9716	0.062	8	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8360	0.000	1	108.9716	0.062	8	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(H)2{1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8413	0.329	3	108.9716	0.062	8	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(H)2{3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0845	0.046	2	108.9716	0.062	8	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HS)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HS)(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8270	0.000	1	108.8270	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]2C[5])(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]2C[5])(H)2{1|C<4>,3|H<1>,6|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1960	0.000	1	108.8656	0.062	9	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]2C[5])(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]2C[5])(H)2{1|N<2>,3|H<1>,6|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1675	0.136	2	108.8656	0.062	9	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]2C[5])(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]2C[5])(H)2{1|N<3>,1|S<4>,3|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7705	0.127	2	108.8656	0.062	9	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]2C[5])(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]2C[5])(H)2{1|N<3>,3|H<1>,6|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7310	0.000	1	108.8656	0.062	9	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]2C[5])(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]2C[5])(H)2{1|N<3>,4|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.6623	0.075	3	108.8656	0.062	9	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]O[5]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]O[5]CH)(H)2{1|C<4>,1|N<3>,1|O<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.3200	0.000	1	109.3200	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]O[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]O[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9860	0.000	1	108.9860	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5]O[5]HS)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]O[5]HS)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0450	0.000	1	109.0450	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]O)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5]O)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.2920	0.000	1	109.2920	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5a]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[5a]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,2|N<2>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1930	0.000	1	109.1930	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[6a]C[5])(C[5]C[5]HO)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[6a]C[5])(C[5]C[5]HO)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7890	0.000	1	108.7890	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[6a]C[5])(C[5]N[5]HO)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[6a]C[5])(C[5]N[5]HO)(H)2{2|H<1>,5|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.5300	0.000	1	108.5300	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[6a]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[6a]N[5])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1130	0.000	1	109.1130	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[6a]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[6a]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|O<1>,2|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9803	0.191	3	108.8955	0.028	6	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[6a]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]C[6a]O[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8107	0.113	3	108.8955	0.028	6	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]N[5]H)(C[5]C[5]HH)(H)2{1|Pd<4>,1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0230	0.127	2	109.0230	0.016	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]O[5]2)(C[5]C[5,5]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]O[5]2)(C[5]C[5,5]CH)(H)2{1|O<2>,4|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.1185	0.006	2	109.1185	0.000	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]O[5]2)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]O[5]2)(C[5]C[5,5]HH)(H)2{1|O<2>,4|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0805	0.039	2	109.0805	0.002	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]O[5]C)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]O[5]C)(C[5]C[5,5]HH)(H)2{1|C<3>,1|C<4>,2|O<2>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.2270	0.000	1	109.2270	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]O[5]C)(C[5]C[5a]C[5]C)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]O[5]C)(C[5]C[5a]C[5]C)(H)2{1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.6210	0.000	1	108.6210	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]O[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]O[5]H)(C[5]C[5,5]HH)(H)2{4|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.2510	0.057	2	109.2510	0.003	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]O[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]O[5]H)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.5020	0.000	1	108.8177	0.051	4	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]O[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]O[5]H)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9230	0.103	3	108.8177	0.051	4	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]O[5]H)(C[5]C[6a]C[5]C)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]O[5]H)(C[5]C[6a]C[5]C)(H)2{1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.5880	0.000	1	108.5880	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]S[5]H)(C[5]C[5]CN)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]S[5]H)(C[5]C[5]CN)(H)2{1|O<1>,2|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	110.2640	0.000	1	110.2640	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]Se[5]C)(C[5]C[6a]P[5]H)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]Se[5]C)(C[5]C[6a]P[5]H)(H)2{1|Se<1>,1|N<2>,4|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.5625	0.040	2	108.5625	0.002	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]Se[5]H)(C[5]C[6a]P[5]H)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]Se[5]H)(C[5]C[6a]P[5]H)(H)2{1|Se<1>,1|N<2>,4|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8180	0.000	1	108.8180	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,6]C[5]2)(C[5]C[5,6]C[6a]H)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,6]C[5]2)(C[5]C[5,6]C[6a]H)(H)2{1|S<4>,2|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.6085	0.111	4	108.6085	0.012	4	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,6]C[5]2)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,6]C[5]2)(C[5]C[5]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	110.2030	0.830	2	109.2133	0.404	9	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,6]C[5]2)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,6]C[5]2)(C[5]C[5]HH)(H)2{1|S<4>,2|C<4>,6|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9306	0.059	7	109.2133	0.404	9	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,6]C[5]2)(C[5]N[5,6]CH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,6]C[5]2)(C[5]N[5,6]CH)(H)2{1|C<4>,2|O<1>,3|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.9900	0.000	1	108.9900	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,6a]C[5,5]O)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,6a]C[5,5]O)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.8220	0.000	1	108.8220	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5]2O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5]2O[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7610	0.000	1	108.6895	0.010	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5]2O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5]2O[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.6180	0.000	1	108.6895	0.010	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]O[3x5]C[5]C)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]O[3x5]C[5]C)(C[5]C[5,5]HH)(H)2{2|H<1>,4|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.7304	0.135	9	108.7304	0.018	9	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]O[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]O[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.5770	2.835	2	109.4808	3.129	4	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]O[3x5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]O[3x5]C[5]H)(C[5]C[5,5]HH)(H)2{3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.3845	1.145	2	109.4808	3.129	4	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]O[3x5]C[5]O)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]O[3x5]C[5]O)(C[5]C[5,5]HH)(H)2{3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	110.2620	0.175	2	110.2620	0.031	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]Si[5,5]C[5]Si)(C[5]C[5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]Si[5,5]C[5]Si)(C[5]C[5]HH)(H)2{4|Si<4>,1|N<2>,1|N<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.3990	0.000	1	108.3990	0.000	1	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]Si[5]3)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5,5]Si[5]3)(C[5]C[5,5]HH)(H)2{2|Si<4>,2|C<3>,4|C<4>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	106.8605	0.209	2	106.8605	0.044	2	108.8933	2.148	1360	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:N[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5]H)(H)2	H(C[5]C[5,5]N[5,5]H)	H(C[5]C[5,5]N[5,5]H)	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5]H)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5,5]N[5,5]H)	H(C[5]C[5,5]N[5,5]H)	108.8820	0.000	1	108.8820	0.000	1	108.8820	0.000	1	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]N[5]C)(N[5]C[5,6]HH)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5,6]N[5]C)(N[5]C[5,6]HH)(H)2{1|N<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	109.1395	0.119	4	109.1395	0.014	4	109.1099	0.166	9	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]HH)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]HH)(H)2{1|C<4>,1|O<2>,5|H<1>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	108.8790	0.051	2	108.8790	0.003	2	109.1099	0.166	9	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(N[5]C[5]HH)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5]2O[5])(N[5]C[5]HH)(H)2{2|C<4>,6|H<1>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	110.0520	0.000	1	110.0520	0.000	1	109.1099	0.166	9	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5]2S[5])(N[5]C[5]CC)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5]2S[5])(N[5]C[5]CC)(H)2{1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	108.5820	0.000	1	108.5820	0.000	1	109.1099	0.166	9	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(N[5]C[5]CuC)(H)2	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	C[5](C[5,5]N[5,5]C[5]C)(N[5]C[5]CuC)(H)2{1|C<3>,1|C<4>,1|N<4>,3|H<1>}	H(C[5]C[5,5]N[5]H)	H(C[5]C[5,5]N[5]H)	109.0390	0.000	1	109.0390	0.000	1	109.1099	0.166	9	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(S[5]N[5]OO)(H)2	H(C[5]C[5,5]S[5]H)	H(C[5]C[5,5]S[5]H)	C[5](C[5,5]C[5,5]C[5]H)(S[5]N[5]OO)(H)2{3|C<3>,3|H<1>}	H(C[5]C[5,5]S[5]H)	H(C[5]C[5,5]S[5]H)	108.9225	0.157	6	108.9225	0.025	6	109.3099	1.590	8	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(S[5]C[5]OO)(H)2	H(C[5]C[5,5]S[5]H)	H(C[5]C[5,5]S[5]H)	C[5](C[5,5]N[5,5]C[5]C)(S[5]C[5]OO)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5,5]S[5]H)	H(C[5]C[5,5]S[5]H)	112.3960	0.000	1	110.4720	7.404	2	109.3099	1.590	8	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,5]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(S[5]C[5]OO)(H)2	H(C[5]C[5,5]S[5]H)	H(C[5]C[5,5]S[5]H)	C[5](C[5,5]N[5,5]C[5]C)(S[5]C[5]OO)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]S[5]H)	H(C[5]C[5,5]S[5]H)	108.5480	0.000	1	110.4720	7.404	2	109.3099	1.590	8	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(H)2	H(C[5]C[5,6,6]C[5,6]H)	H(C[5]C[5,6,6]C[5,6]H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(H)2{1|H<1>,1|N<3>,1|O<2>,7|C<4>}	H(C[5]C[5,6,6]C[5,6]H)	H(C[5]C[5,6,6]C[5,6]H)	108.7690	0.058	3	108.7722	0.002	4	108.8752	0.025	18	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(H)2	H(C[5]C[5,6,6]C[5,6]H)	H(C[5]C[5,6,6]C[5,6]H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(H)2{1|H<1>,1|N<3>,2|O<2>,6|C<4>}	H(C[5]C[5,6,6]C[5,6]H)	H(C[5]C[5,6,6]C[5,6]H)	108.7820	0.000	1	108.7722	0.002	4	108.8752	0.025	18	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5,6]C[5,6,6]C[6,6]H)(H)2	H(C[5]C[5,6,6]C[5,6]H)	H(C[5]C[5,6,6]C[5,6]H)	C[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5,6]C[5,6,6]C[6,6]H)(H)2{1|H<1>,1|N<3>,1|O<2>,7|C<4>}	H(C[5]C[5,6,6]C[5,6]H)	H(C[5]C[5,6,6]C[5,6]H)	108.8546	0.274	5	108.8546	0.075	5	108.8752	0.025	18	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,5,3x6]C[6,6]C)(C[5,6]C[5,3x6]C[6,6]H)(H)2	H(C[5]C[5,6,6]C[5,6]H)	H(C[5]C[5,6,6]C[5,6]H)	C[5](C[5,6,6]C[5,5,3x6]C[6,6]C)(C[5,6]C[5,3x6]C[6,6]H)(H)2{1|C<3>,1|O<1>,7|C<4>}	H(C[5]C[5,6,6]C[5,6]H)	H(C[5]C[5,6,6]C[5,6]H)	108.9227	0.085	3	108.9227	0.007	3	108.8752	0.025	18	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,5,6]C[6,6]N[6])(C[5,6]C[5,6,6]C[6]C)(H)2	H(C[5]C[5,6,6]C[5,6]H)	H(C[5]C[5,6,6]C[5,6]H)	C[5](C[5,6,6]C[5,5,6]C[6,6]N[6])(C[5,6]C[5,6,6]C[6]C)(H)2{1|C<3>,1|O<1>,2|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5,6,6]C[5,6]H)	H(C[5]C[5,6,6]C[5,6]H)	108.8410	0.000	1	108.8410	0.000	1	108.8752	0.025	18	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]N[5,6,6]C[6]S[6])(C[5,6]C[5,6,6]C[6]H)(H)2	H(C[5]C[5,6,6]C[5,6]H)	H(C[5]C[5,6,6]C[5,6]H)	C[5](C[5,6,6]N[5,6,6]C[6]S[6])(C[5,6]C[5,6,6]C[6]H)(H)2{1|C<3>,1|H<1>,1|N<3>,2|O<1>,3|C<4>}	H(C[5]C[5,6,6]C[5,6]H)	H(C[5]C[5,6,6]C[5,6]H)	108.9564	0.072	5	108.9564	0.005	5	108.8752	0.025	18	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[3x6]C[5,6]C[6])(C[5]O[5]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[3x6]C[5,6]C[6])(C[5]O[5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	109.1810	0.000	1	109.1810	0.000	1	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[3x6]C[6,6]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[3x6]C[6,6]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<1>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	109.0150	0.000	1	109.0150	0.000	1	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[4,5,6,6]C[6,6]H)(C[5]C[4,5,6]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[4,5,6,6]C[6,6]H)(C[5]C[4,5,6]HH)(H)2{3|C<4>,4|H<1>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	108.8570	0.000	1	108.8570	0.000	1	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[4,6,6]C[5,6,6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[4,6,6]C[5,6,6]C)(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	108.8080	0.000	1	108.8080	0.000	1	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[4,6,6]C[6,6]O[5])(C[5]C[5,5]HO)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[4,6,6]C[6,6]O[5])(C[5]C[5,5]HO)(H)2{3|H<1>,5|C<4>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	108.8443	0.048	3	108.8443	0.002	3	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]C[5,6]CH)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]C[5,6]CH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	108.5280	0.000	1	108.5280	0.000	1	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[5,6,6]H)(C[5]C[5,6,6]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,3x6]C[5,6,6]H)(C[5]C[5,6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	108.9319	0.165	11	108.9319	0.027	11	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[5,6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,3x6]C[5,6,6]H)(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	109.0070	0.000	1	109.0070	0.000	1	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]CH)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]CH)(H)2{1|O<1>,1|O<2>,4|C<4>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	108.5420	0.000	1	108.5420	0.000	1	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5,6,6]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5,6,6]HH)(H)2{1|Cl<1>,1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	105.1195	1.720	2	107.1485	6.542	4	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5,6,6]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5,6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	109.1775	0.445	2	107.1485	6.542	4	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]CC)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]CC)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	109.0840	0.000	1	109.0840	0.000	1	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	108.7420	0.000	1	109.0318	0.166	4	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	109.6060	0.000	1	109.0318	0.166	4	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	109.0380	0.000	1	109.0318	0.166	4	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	108.7410	0.000	1	109.0318	0.166	4	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5]C[5,6,6]HO)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5]C[5,6,6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	108.6660	0.000	1	108.6660	0.000	1	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]O[6,6]C)(C[5]C[5,6,6]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,3x6]O[6,6]C)(C[5]C[5,6,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	109.0765	0.558	2	109.0765	0.311	2	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,5,3x6]C[6,6]C)(C[5]C[5,5,6,6]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,5,3x6]C[6,6]C)(C[5]C[5,5,6,6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	108.3390	0.000	1	108.3390	0.000	1	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,5,3x6]C[6,6]H)(C[5]C[5,5,6,6]OO)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,5,3x6]C[6,6]H)(C[5]C[5,5,6,6]OO)(H)2{2|H<1>,5|C<4>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	108.4540	0.000	1	108.4540	0.000	1	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,5,6,6]C[5,6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,5,6,6]C[5,6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	108.9390	0.000	1	108.9390	0.000	1	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,5,6,6]C[6,6]C[6])(C[5]N[5]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,5,6,6]C[6,6]C[6])(C[5]N[5]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	108.8830	0.000	1	108.8830	0.000	1	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,5,6,6]C[6]2)(C[5]O[5]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,5,6,6]C[6]2)(C[5]O[5]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	109.1480	0.000	1	109.1480	0.000	1	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,5,6]C[6,6]C[6])(C[5]C[5,5]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,5,6]C[6,6]C[6])(C[5]C[5,5]HH)(H)2{1|N<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	108.8390	0.000	1	108.8390	0.000	1	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]C)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	108.7610	0.191	2	108.7610	0.036	2	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]C[6])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]C[6])(C[5]C[5,6]HH)(H)2{1|Cl<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	108.9150	0.000	1	108.9150	0.000	1	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	108.5005	1.914	2	108.8919	1.358	10	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	109.3950	0.000	1	108.8919	1.358	10	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	109.2290	1.487	4	108.8919	1.358	10	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	108.7580	0.000	1	108.8919	1.358	10	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(H)2{3|H<1>,4|C<4>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	108.4245	0.677	2	108.8919	1.358	10	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	108.8180	0.164	2	108.8630	0.020	3	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	108.9530	0.000	1	108.8630	0.020	3	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]N[5]CH)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]N[5]CH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	108.7115	0.077	2	108.7115	0.006	2	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]O)(C[5]O[5]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]O)(C[5]O[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	109.0390	0.042	2	109.0390	0.002	2	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[5,5]C[6,6])(C[5]C[5,5]CH)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[5,5]C[6,6])(C[5]C[5,5]CH)(H)2{1|C<3>,1|N<3>,2|H<1>,5|C<4>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	108.2510	0.000	1	108.1930	0.007	2	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[5,5]C[6,6])(C[5]C[5,5]CH)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[5,5]C[6,6])(C[5]C[5,5]CH)(H)2{1|N<3>,1|O<2>,2|H<1>,6|C<4>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	108.1350	0.000	1	108.1930	0.007	2	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,4|C<4>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	108.7200	0.000	1	108.7200	0.000	1	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]O[5]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]O[5]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	109.0530	0.000	1	108.9887	0.005	3	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]O[5]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]O[5]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	108.9100	0.000	1	108.9887	0.005	3	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]O[5]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]O[5]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	109.0030	0.000	1	108.9887	0.005	3	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	109.1370	0.000	1	109.1086	0.012	8	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	109.1046	0.117	7	109.1086	0.012	8	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]O[5]CC)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]O[5]CC)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	109.0340	0.000	1	109.0340	0.000	1	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6,6]O[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[6,6]O[6])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	108.9860	0.000	1	108.9860	0.000	1	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6,6a]C[6,6])(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[6,6a]C[6,6])(C[5]N[5,6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	109.2420	0.000	1	109.2420	0.000	1	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6,6a]C[6])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[6,6a]C[6])(C[5]C[5,6]HH)(H)2{2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	108.9270	0.000	1	108.9270	0.000	1	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6,6a]C[6])(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[6,6a]C[6])(C[5]N[5,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,3|C<4>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	109.1700	0.000	1	111.1595	7.916	2	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6,6a]C[6])(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[6,6a]C[6])(C[5]N[5,6]HH)(H)2{2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	113.1490	0.000	1	111.1595	7.916	2	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5,6]HH)(H)2{2|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	108.8700	0.000	1	108.8700	0.000	1	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]N[5,6]HH)(H)2{1|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	108.9960	0.000	1	108.9960	0.000	1	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6]O[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[6]O[6])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	108.8270	0.000	1	108.8270	0.000	1	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]N[6]O[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]N[6]O[6])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	108.9502	0.053	9	108.9502	0.003	9	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]O[5,6]C[6])(C[5]C[5,5,6]HO)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6,6]O[5,6]C[6])(C[5]C[5,5,6]HO)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	108.7400	0.000	1	108.7400	0.000	1	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CH)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,5|H<1>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	108.8170	0.000	1	108.6853	0.013	3	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CH)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CH)(H)2{2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	108.6195	0.030	2	108.6853	0.013	3	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CO)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CO)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	108.5860	0.000	1	108.5484	0.007	5	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CO)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CO)(H)2{1|O<2>,4|C<4>,5|H<1>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	108.6440	0.000	1	108.5484	0.007	5	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CO)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CO)(H)2{4|C<4>,6|H<1>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	108.5040	0.081	3	108.5484	0.007	5	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]N[5]CH)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]N[5]CH)(H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	109.1990	0.000	1	109.1990	0.000	1	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]N[5]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]N[5]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	105.7180	0.000	1	105.7180	0.000	1	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]CH)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]CH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	108.8863	0.120	3	108.8863	0.014	3	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	108.9210	0.000	1	108.9210	0.000	1	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]HO)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]HO)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	109.0590	0.000	1	108.9365	0.030	2	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]HO)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]HO)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	108.8140	0.000	1	108.9365	0.030	2	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]N[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]N[6])(C[5]C[5]HH)(H)2{1|C<4>,3|C<3>,5|H<1>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	108.9390	0.000	1	108.9390	0.000	1	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]O[5,6])(C[5]C[5,6,6]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]O[5,6])(C[5]C[5,6,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	109.1730	0.000	1	109.4040	0.025	4	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]O[5,6])(C[5]C[5,6,6]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]C[6,6]O[5,6])(C[5]C[5,6,6]HH)(H)2{1|H<1>,3|C<3>,3|C<4>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	109.4810	0.040	3	109.4040	0.025	4	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]N[6,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]N[6,6]C[6])(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,5|H<1>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	108.6930	0.000	1	108.6930	0.000	1	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,6]O[6,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[5,6]O[6,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	108.7420	0.000	1	108.7420	0.000	1	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[6,6,6a]C[5,6]C[6])(C[5]C[5,6]CO)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[6,6,6a]C[5,6]C[6])(C[5]C[5,6]CO)(H)2{1|C<4>,2|H<1>,2|O<2>,4|C<3>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	108.6393	0.174	3	108.6393	0.030	3	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[6,6]2C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[6,6]2C[5])(C[5]C[5]HH)(H)2{4|C<3>,6|H<1>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	108.8120	0.000	1	108.6899	0.020	7	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[6,6]2C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[6,6]2C[5])(C[5]C[5]HH)(H)2{4|C<4>,6|H<1>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	108.6290	0.212	2	108.6899	0.020	7	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[6,6]2C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[6,6]2C[5])(C[5]C[5]HH)(H)2{4|N<3>,6|H<1>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	108.6898	0.134	4	108.6899	0.020	7	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	109.0840	0.000	1	110.0875	5.094	4	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,3|H<1>,4|C<4>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	113.4700	0.000	1	110.0875	5.094	4	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)(H)2{2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	108.8590	0.000	1	110.0875	5.094	4	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)(H)2{4|H<1>,5|C<4>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	108.9370	0.000	1	110.0875	5.094	4	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6,6]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	109.4640	0.000	1	109.2044	0.103	5	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6,6]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	108.8050	0.000	1	109.2044	0.103	5	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6,6]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	109.2510	0.298	3	109.2044	0.103	5	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]CC)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]CC)(H)2{1|H<1>,1|O<2>,6|C<4>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	108.7845	0.008	2	108.7845	0.000	2	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	109.8140	0.000	1	109.3970	0.348	2	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	108.9800	0.000	1	109.3970	0.348	2	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[6,6]O[5,6]O[6])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[6,6]O[5,6]O[6])(C[5]C[5,6]HH)(H)2{1|H<1>,2|O<2>,3|C<4>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	105.4850	0.000	1	105.4850	0.000	1	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[6,6a]C[5,6]C[6,6])(C[5]O[5]HO)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[6,6a]C[5,6]C[6,6])(C[5]O[5]HO)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	108.8040	0.000	1	108.8040	0.000	1	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[6,6a]C[5,6]N[6,6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	C[5](C[5,6,6]C[6,6a]C[5,6]N[6,6])(C[5]C[5]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6,6]C[5]H)	H(C[5]C[5,6,6]C[5]H)	108.9360	0.000	1	108.9360	0.000	1	108.8702	0.812	141	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[3,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[5,6]O)(C[3,5]C[3,5,5]O[3]H)(H)2	H(C[5]C[3,5]C[5,6]H)	H(C[5]C[3,5]C[5,6]H)	C[5](C[5,6]C[5,5,6]C[5,6]O)(C[3,5]C[3,5,5]O[3]H)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[5]C[3,5]C[5,6]H)	H(C[5]C[3,5]C[5,6]H)	108.7675	0.025	2	108.7675	0.001	2	109.5153	1.521	12	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[3,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[3,5]2C[5])(H)2	H(C[5]C[3,5]C[5,6]H)	H(C[5]C[3,5]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[3,5]2C[5])(H)2{1|O<1>,3|H<1>,6|C<4>}	H(C[5]C[3,5]C[5,6]H)	H(C[5]C[3,5]C[5,6]H)	113.3840	0.000	1	113.3840	0.000	1	109.5153	1.521	12	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[3,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[3,5]O[3]H)(H)2	H(C[5]C[3,5]C[5,6]H)	H(C[5]C[3,5]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[3,5]O[3]H)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5]C[3,5]C[5,6]H)	H(C[5]C[3,5]C[5,6]H)	109.2601	0.044	8	109.2517	0.002	9	109.5153	1.521	12	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[3,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[3,5]O[3]H)(H)2	H(C[5]C[3,5]C[5,6]H)	H(C[5]C[3,5]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[3,5]O[3]H)(H)2{1|H<1>,1|N<3>,4|C<4>}	H(C[5]C[3,5]C[5,6]H)	H(C[5]C[3,5]C[5,6]H)	109.1840	0.000	1	109.2517	0.002	9	109.5153	1.521	12	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,3x6]C[5,6,6]H)(C[5,5,6]C[5,6]2O[5])(H)2	H(C[5]C[5,5,6]C[5,6]H)	H(C[5]C[5,5,6]C[5,6]H)	C[5](C[5,6]C[5,3x6]C[5,6,6]H)(C[5,5,6]C[5,6]2O[5])(H)2{2|O<2>,3|H<1>,6|C<4>}	H(C[5]C[5,5,6]C[5,6]H)	H(C[5]C[5,5,6]C[5,6]H)	108.6745	0.031	4	108.6745	0.001	4	108.6745	0.001	4	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[3,5,6]C[5,6]O)(C[5,5]C[5]O[5]2)(H)2	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[3,5,6]C[5,6]O)(C[5,5]C[5]O[5]2)(H)2{1|C<3>,3|H<1>,5|C<4>}	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	109.0650	0.000	1	109.0650	0.000	1	108.9165	0.387	51	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5,5]C[3x5]C[5]H)(H)2	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5,5]C[3x5]C[5]H)(H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	108.3490	0.000	1	108.3490	0.000	1	108.9165	0.387	51	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,5]C[5,6]O[5]2)(H)2	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,5]C[5,6]O[5]2)(H)2{3|H<1>,6|C<4>}	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	109.2375	0.016	4	109.2375	0.000	4	108.9165	0.387	51	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5,5]C[5]2N[5])(H)2	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5,5]C[5]2N[5])(H)2{1|O<1>,2|C<3>,3|H<1>,5|C<4>}	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	108.7410	0.000	1	108.7410	0.000	1	108.9165	0.387	51	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[3,5]C[5]2)(H)2	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[3,5]C[5]2)(H)2{1|O<1>,2|H<1>,3|O<2>,6|C<4>}	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	109.2120	0.081	2	109.2120	0.006	2	108.9165	0.387	51	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]C[5]H)(H)2	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]C[5]H)(H)2{2|C<3>,2|H<1>,2|O<2>,4|C<4>}	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	108.7278	0.249	4	108.7278	0.062	4	108.9165	0.387	51	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	109.0763	0.093	4	109.1741	0.024	19	108.9165	0.387	51	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2{1|O<2>,1|S<4>,2|H<1>,4|C<4>}	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	109.0970	0.000	1	109.1741	0.024	19	108.9165	0.387	51	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2{2|H<1>,6|C<4>}	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	109.2076	0.163	14	109.1741	0.024	19	108.9165	0.387	51	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5]3)(H)2	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5]3)(H)2{1|N<3>,1|O<1>,2|C<3>,3|H<1>,5|C<4>}	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	109.1710	0.000	1	109.1710	0.000	1	108.9165	0.387	51	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5]O[5]2)(H)2	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5]O[5]2)(H)2{2|C<3>,6|C<4>}	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	109.3190	0.000	1	109.3190	0.000	1	108.9165	0.387	51	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]3)(H)2	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]3)(H)2{1|C<3>,1|O<1>,2|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	108.4060	0.000	1	108.4060	0.000	1	108.9165	0.387	51	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5,5]C[5]O[5]2)(H)2	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5,5]C[5]O[5]2)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	109.0410	0.000	1	109.0410	0.000	1	108.9165	0.387	51	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]O[6]2)(C[5,5]C[5,5]2H)(H)2	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[5]O[6]2)(C[5,5]C[5,5]2H)(H)2{4|H<1>,5|C<4>}	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	108.3150	0.659	2	108.3150	0.434	2	108.9165	0.387	51	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]C[6a])(C[5,5]C[5,5,6]C[5,6a]H)(H)2	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[6,6a]C[5,6]C[6a])(C[5,5]C[5,5,6]C[5,6a]H)(H)2{2|C<4>,2|H<1>,6|C<3>}	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	106.8940	0.000	1	106.8940	0.000	1	108.9165	0.387	51	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5,5]C[5,5]C[5]H)(H)2	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5,5]C[5,5]C[5]H)(H)2{1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	108.5250	0.000	1	108.4805	0.004	2	108.9165	0.387	51	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5,5]C[5,5]C[5]H)(H)2	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5,5]C[5,5]C[5]H)(H)2{1|C<4>,2|O<2>,3|C<3>,4|H<1>}	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	108.4360	0.000	1	108.4805	0.004	2	108.9165	0.387	51	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5,5]C[5,5]C[5]H)(H)2	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5,5]C[5,5]C[5]H)(H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	109.0550	0.000	1	109.0550	0.000	1	108.9165	0.387	51	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(H)2	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	109.0790	0.000	1	109.0790	0.000	1	108.9165	0.387	51	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]2N[5])(H)2	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]2N[5])(H)2{1|C<4>,2|C<3>,2|H<1>,2|N<3>,2|O<1>}	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	109.1193	0.177	3	109.1193	0.031	3	108.9165	0.387	51	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]2O[5])(H)2	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]2O[5])(H)2{1|O<1>,2|H<1>,6|C<4>}	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	105.7890	0.000	1	105.7890	0.000	1	108.9165	0.387	51	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5a,6]C[5,6]H)(C[5,5]C[5,5]N[5]O)(H)2	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]N[5a,6]C[5,6]H)(C[5,5]C[5,5]N[5]O)(H)2{1|C<4>,2|H<1>,2|N<3>,3|C<3>}	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	109.0283	0.193	3	109.0733	0.033	4	108.9165	0.387	51	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5a,6]C[5,6]H)(C[5,5]C[5,5]N[5]O)(H)2	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	C[5](C[5,6]N[5a,6]C[5,6]H)(C[5,5]C[5,5]N[5]O)(H)2{2|N<3>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[5,6]H)	H(C[5]C[5,5]C[5,6]H)	109.2080	0.000	1	109.0733	0.033	4	108.9165	0.387	51	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,3x6]C[5,6,6]H)(C[5,6]C[5,6]C[6]H)(H)2	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,3x6]C[5,6,6]H)(C[5,6]C[5,6]C[6]H)(H)2{2|H<1>,3|O<2>,5|C<4>}	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	108.6270	0.000	1	108.6800	0.001	6	109.0500	1.766	85	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,3x6]C[5,6,6]H)(C[5,6]C[5,6]C[6]H)(H)2	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,3x6]C[5,6,6]H)(C[5,6]C[5,6]C[6]H)(H)2{2|O<2>,3|H<1>,5|C<4>}	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	108.6906	0.029	5	108.6800	0.001	6	109.0500	1.766	85	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,3x6]C[5,6,6]H)(C[5,6]C[5,6]C[6]O)(H)2	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,3x6]C[5,6,6]H)(C[5,6]C[5,6]C[6]O)(H)2{2|O<2>,3|H<1>,5|C<4>}	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	108.6142	0.155	5	108.6142	0.024	5	109.0500	1.766	85	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,3x6]C[5,6,6]O)(C[5,6]C[5,6]C[6]H)(H)2	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,3x6]C[5,6,6]O)(C[5,6]C[5,6]C[6]H)(H)2{2|O<2>,3|H<1>,5|C<4>}	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	108.5900	0.000	1	108.5900	0.000	1	109.0500	1.766	85	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,3x6]C[5,6,6]O)(C[5,6]C[5,6]C[6]O)(H)2	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,3x6]C[5,6,6]O)(C[5,6]C[5,6]C[6]O)(H)2{2|O<2>,3|H<1>,5|C<4>}	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	108.5270	0.000	1	108.5270	0.000	1	109.0500	1.766	85	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,3x6]C[6]H)(C[5,6]C[5,6]O[6]O)(H)2	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,3x6]C[6]H)(C[5,6]C[5,6]O[6]O)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	108.8400	0.000	1	108.8400	0.000	1	109.0500	1.766	85	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]C[6]H)(H)2	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]C[6]H)(H)2{1|C<3>,2|H<1>,3|O<2>,4|C<4>}	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	108.5840	0.000	1	110.3556	13.963	5	109.0500	1.766	85	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]C[6]H)(H)2	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]C[6]H)(H)2{1|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	108.8520	0.000	1	110.3556	13.963	5	109.0500	1.766	85	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]C[6]H)(H)2	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]C[6]H)(H)2{1|O<1>,2|H<1>,2|O<2>,4|C<4>}	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	112.8065	5.983	2	110.3556	13.963	5	109.0500	1.766	85	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]C[6]H)(H)2	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]C[6]H)(H)2{2|H<1>,3|O<2>,4|C<4>}	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	108.7290	0.000	1	110.3556	13.963	5	109.0500	1.766	85	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]C)(C[5,6]C[5,5,6]C[6]H)(H)2	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5,6]C[5,5,6]C[6]H)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,2|N<3>}	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	109.2220	0.000	1	108.9680	0.129	2	109.0500	1.766	85	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]C)(C[5,6]C[5,5,6]C[6]H)(H)2	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5,6]C[5,5,6]C[6]H)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	108.7140	0.000	1	108.9680	0.129	2	109.0500	1.766	85	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]C)2(H)2	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,5,6]C[6]C)2(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|N<3>}	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	109.4485	0.012	2	109.4485	0.000	2	109.0500	1.766	85	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[3]C[6])(C[5,6]O[5,6]O[6]H)(H)2	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6,6]C[3]C[6])(C[5,6]O[5,6]O[6]H)(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	108.9880	0.000	1	109.0175	0.002	2	109.0500	1.766	85	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[3]C[6])(C[5,6]O[5,6]O[6]H)(H)2	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6,6]C[3]C[6])(C[5,6]O[5,6]O[6]H)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	109.0470	0.000	1	109.0175	0.002	2	109.0500	1.766	85	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5,6]O[5,6]C[6]C)(H)2	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5,6]O[5,6]C[6]C)(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	109.1380	0.000	1	109.1380	0.000	1	109.0500	1.766	85	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(H)2	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(H)2{1|O<1>,1|O<2>,2|H<1>,5|C<4>}	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	116.5210	0.000	1	116.5210	0.000	1	109.0500	1.766	85	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(C[5,6]O[5,6]O[6]H)(H)2	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5,6]O[5,6]O[6]H)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	108.9492	0.114	4	108.9492	0.013	4	109.0500	1.766	85	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(H)2	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	108.9690	0.000	1	108.9313	0.010	3	109.0500	1.766	85	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(H)2	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	108.8170	0.000	1	108.9313	0.010	3	109.0500	1.766	85	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(H)2	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(H)2{1|O<1>,3|C<4>,5|H<1>}	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	109.0080	0.000	1	108.9313	0.010	3	109.0500	1.766	85	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]O[5,6]O)(H)2	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]O[5,6]O)(H)2{1|H<1>,1|O<1>,5|C<4>}	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	111.2270	0.000	2	111.2270	0.000	2	109.0500	1.766	85	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[6,6]O[5,6]H)(H)2	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[6,6]O[5,6]H)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	108.8680	0.000	1	108.8680	0.000	1	109.0500	1.766	85	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]O[5,6]C[6]C)(H)2	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]O[5,6]C[6]C)(H)2{1|Br<1>,1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	108.7860	0.000	1	108.7860	0.000	1	109.0500	1.766	85	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]O[5,6]C[6]H)(H)2	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]O[5,6]C[6]H)(H)2{1|Br<1>,3|H<1>,4|C<4>}	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	108.8960	0.000	1	108.8960	0.000	1	109.0500	1.766	85	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]O[5])(C[5,6]C[5,5,6]C[6]C)(H)2	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6,6]C[6]O[5])(C[5,6]C[5,5,6]C[6]C)(H)2{2|H<1>,2|O<2>,7|C<4>}	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	108.6360	0.000	1	108.6360	0.000	1	109.0500	1.766	85	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6a]C[6,6]O)(C[5,6]C[5,6a]C[6]2)(H)2	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6,6a]C[6,6]O)(C[5,6]C[5,6a]C[6]2)(H)2{4|C<3>,5|C<4>}	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	108.4000	0.000	1	108.4000	0.000	1	109.0500	1.766	85	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5,6]C[5,6]O[6]H)(H)2	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5,6]C[5,6]O[6]H)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	108.9980	0.075	2	108.9007	0.031	3	109.0500	1.766	85	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5,6]C[5,6]O[6]H)(H)2	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5,6]C[5,6]O[6]H)(H)2{6|C<4>}	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	108.7060	0.000	1	108.9007	0.031	3	109.0500	1.766	85	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]C)(H)2	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]C)(H)2{1|O<1>,1|O<2>,7|C<4>}	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	108.8980	0.000	1	108.8980	0.000	1	109.0500	1.766	85	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(H)2	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|N<3>,4|C<4>,4|H<1>}	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	108.9600	0.000	1	108.8107	0.026	4	109.0500	1.766	85	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(H)2	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(H)2{1|N<2>,1|O<2>,4|C<4>,4|H<1>}	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	108.9300	0.000	1	108.8107	0.026	4	109.0500	1.766	85	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(H)2	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(H)2{2|C<3>,6|C<4>}	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	108.6765	0.069	2	108.8107	0.026	4	109.0500	1.766	85	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]O[6]H)(H)2	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]O[6]H)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	109.0290	0.000	1	108.9542	0.017	6	109.0500	1.766	85	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]O[6]H)(H)2	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]O[6]H)(H)2{2|H<1>,6|C<4>}	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	108.9392	0.141	5	108.9542	0.017	6	109.0500	1.766	85	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)2(H)2	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6]C[6,6]H)2(H)2{3|H<1>,7|C<4>}	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	109.0900	0.178	3	109.0900	0.032	3	109.0500	1.766	85	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]2)(H)2	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]2)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	108.3480	0.000	1	108.5940	0.030	4	109.0500	1.766	85	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]2)(H)2	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]2)(H)2{1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	108.6365	0.008	2	108.5940	0.030	4	109.0500	1.766	85	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]2)(H)2	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]2)(H)2{1|N<3>,2|C<3>,2|C<4>,3|O<1>}	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	108.7550	0.000	1	108.5940	0.030	4	109.0500	1.766	85	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6]H)(H)2	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6]H)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	109.0050	0.062	3	109.0050	0.004	3	109.0500	1.766	85	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6]S)(H)2	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6]S)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|O<1>}	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	109.1230	0.075	6	109.0869	0.013	8	109.0500	1.766	85	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6]S)(H)2	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6]S)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	108.9785	0.179	2	109.0869	0.013	8	109.0500	1.766	85	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5,6]N[5,6]C[6]H)(H)2	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5,6]C[6]O)(C[5,6]N[5,6]C[6]H)(H)2{2|C<3>,2|H<1>,5|C<4>}	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	109.0725	0.047	2	109.0725	0.002	2	109.0500	1.766	85	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5,6]C[6]2S[5])(H)2	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5]C[6]2)(C[5,6]C[6]2S[5])(H)2{10|H<1>,2|C<4>,2|N<4>}	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	107.8990	0.000	1	107.8990	0.000	1	109.0500	1.766	85	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]O[6])(C[5,6]C[5,6]C[6]C)(H)2	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[5]C[6]O[6])(C[5,6]C[5,6]C[6]C)(H)2{1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	108.6990	0.000	1	108.6990	0.000	1	109.0500	1.766	85	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6]C[6]O[5])(C[5,6]C[5,6]C[6]C)(H)2	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[6,6]C[6]O[5])(C[5,6]C[5,6]C[6]C)(H)2{1|C<3>,2|H<1>,7|C<4>}	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	108.6210	0.000	1	108.7262	0.005	4	109.0500	1.766	85	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6]C[6]O[5])(C[5,6]C[5,6]C[6]C)(H)2	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[6,6]C[6]O[5])(C[5,6]C[5,6]C[6]C)(H)2{1|H<1>,2|C<3>,6|C<4>}	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	108.7613	0.019	3	108.7262	0.005	4	109.0500	1.766	85	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5,6]C[5,6]C[6]C)(H)2	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5,6]C[5,6]C[6]C)(H)2{1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	108.5470	0.049	2	108.5470	0.002	2	109.0500	1.766	85	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5,6]C[5,6]C[6]H)(H)2	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5,6]C[5,6]C[6]H)(H)2{1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	108.7590	0.000	1	108.7590	0.000	1	109.0500	1.766	85	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5,6]C[6]H)(H)2	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5,6]2H)	H(C[5]C[5,6]2H)	105.7770	0.000	1	105.7770	0.000	1	109.0500	1.766	85	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[3,5,6]C[5,6]C)(C[5]C[3,5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,5,6]C[5,6]C)(C[5]C[3,5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6850	0.000	1	108.6850	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[3,5,6]C[5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,5,6]C[5,6]H)(C[5]C[5]HH)(H)2{3|O<2>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9030	0.000	1	108.9030	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[3,5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[3,5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.5597	0.020	4	108.6687	0.071	15	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[3,5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[3,5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6423	0.049	6	108.6687	0.071	15	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[3,5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[3,5]HH)(H)2{2|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7876	0.464	5	108.6687	0.071	15	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]HH)(H)2{3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8510	0.000	1	108.8510	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5]CC)(H)2{1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8180	0.126	2	108.8180	0.016	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[3,5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0570	0.105	2	109.0570	0.011	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[3,5,6]C[6]O)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,5,6]C[6]O)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9410	0.000	1	108.9410	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[3,5,6]O[6]H)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,5,6]O[6]H)(C[5]C[5,6]HO)(H)2{1|O<2>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7860	0.310	8	108.7860	0.096	8	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[3,5]C[6]2)(C[5]C[3,5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,5]C[6]2)(C[5]C[3,5]HH)(H)2{1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7820	0.000	1	108.7820	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[3,5]C[6]O[6])(C[5]C[3,5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,5]C[6]O[6])(C[5]C[3,5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8670	0.000	1	108.8670	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[3,5]C[6]O[6])(C[5]C[3,5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,5]C[6]O[6])(C[5]C[3,5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8135	0.002	2	108.8135	0.000	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[3,6,6]C[5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,6,6]C[5,6]H)(C[5]C[5]HH)(H)2{1|H<1>,6|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8680	0.000	1	108.8680	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[3,6]2O[5])(C[5]C[5]HN)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,6]2O[5])(C[5]C[5]HN)(H)2{2|C<4>,3|H<1>,3|O<2>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9910	0.000	1	108.9910	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[3,6]C[5,6]C)(C[5]O[5]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,6]C[5,6]C)(C[5]O[5]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1430	0.000	1	109.1430	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[3,6]C[5,6]H)(C[5]C[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,6]C[5,6]H)(C[5]C[5]CC)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	107.9780	0.000	1	107.9780	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[3,6]C[5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,6]C[5,6]H)(C[5]C[5]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0870	0.000	1	109.0870	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[3,6]O[5,6]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3,6]O[5,6]C)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0780	0.000	1	109.0780	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[3x5,6]C[6]C)(C[5]C[5,5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3x5,6]C[6]C)(C[5]C[5,5]CC)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.2240	0.081	2	108.2240	0.006	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[3x5,6]C[6]C)(C[5]C[5,5]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3x5,6]C[6]C)(C[5]C[5,5]CH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	116.0940	0.000	1	116.0940	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[3x5,6]C[6]H)(C[5]C[5,5]HO)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3x5,6]C[6]H)(C[5]C[5,5]HO)(H)2{1|H<1>,1|O<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.2630	0.000	1	109.2630	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[3x6]C[5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3x6]C[5,6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8990	0.000	1	108.8990	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[3x6]C[6]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3x6]C[6]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1365	0.125	2	109.1407	0.008	3	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[3x6]C[6]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[3x6]C[6]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1490	0.000	1	109.1407	0.008	3	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[4,5,6]C[6]H)(C[5]O[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[4,5,6]C[6]H)(C[5]O[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.3200	0.000	1	109.3200	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[4,5,6]O[6]C)(C[5]C[4,5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[4,5,6]O[6]C)(C[5]C[4,5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8950	0.090	6	108.8950	0.008	6	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[4,6]C[5,6]H)(C[5]C[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[4,6]C[5,6]H)(C[5]C[5]CC)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8810	0.000	1	108.0609	1.544	11	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[4,6]C[5,6]H)(C[5]C[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[4,6]C[5,6]H)(C[5]C[5]CC)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9170	0.368	4	108.0609	1.544	11	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[4,6]C[5,6]H)(C[5]C[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[4,6]C[5,6]H)(C[5]C[5]CC)(H)2{3|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	107.3535	1.298	6	108.0609	1.544	11	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[4x6]C[5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[4x6]C[5,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0070	0.000	1	108.9520	0.006	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[4x6]C[5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[4x6]C[5,6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8970	0.000	1	108.9520	0.006	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,3x6]C[6]2)(C[5]C[5,6,6]HO)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,3x6]C[6]2)(C[5]C[5,6,6]HO)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.3920	0.000	1	108.3920	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,3x6]C[6]H)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,3x6]C[6]H)(C[5]N[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8270	0.000	1	108.8270	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,3x6]C[6]O)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,3x6]C[6]O)(C[5]N[5,6]HH)(H)2{1|C<3>,1|O<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0930	0.000	1	109.0930	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,3x6]O[6]H)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,3x6]O[6]H)(C[5]N[5,6]HH)(H)2{2|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7810	0.000	1	108.7810	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6,6]C[5,6]H)(C[5]C[5]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6,6]C[5,6]H)(C[5]C[5]CH)(H)2{2|C<3>,2|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9840	0.000	1	108.9840	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6,6]C[6]C)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6,6]C[6]C)(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7480	0.000	1	108.7480	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6,6]C[6]N)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6,6]C[6]N)(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9130	0.000	1	108.9130	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8160	0.000	1	108.8160	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[5,6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[5,6]H)(C[5]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9650	0.000	1	108.9650	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[5,6]H)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0280	0.000	1	109.0280	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2{2|H<1>,5|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.2550	0.000	1	109.2550	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6,6]O)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6,6]O)(C[5]C[5,5]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0310	0.060	5	109.0310	0.004	5	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6,6a]C)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6,6a]C)(C[5]C[5,5]HH)(H)2{2|C<4>,3|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6160	0.000	1	108.6160	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[3x5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[3x5]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9550	0.000	1	108.9550	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5,6]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.2115	0.742	2	109.2115	0.550	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9230	0.000	1	109.0249	0.029	7	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1130	0.000	1	109.0249	0.029	7	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.2260	0.000	2	109.0249	0.029	7	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]HH)(H)2{1|N<4>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8000	0.000	1	109.0249	0.029	7	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]HH)(H)2{2|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9430	0.117	2	109.0249	0.029	7	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7210	0.127	2	108.7210	0.016	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7395	0.097	4	108.7395	0.009	4	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]N[5,5]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]N[5,5]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.3050	0.000	1	108.3050	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]CO)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]CO)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9420	0.040	2	108.9217	0.002	3	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]CO)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]CO)(H)2{1|N<2>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8810	0.000	1	108.9217	0.002	3	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8480	0.000	1	108.6770	0.643	11	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1710	0.000	1	108.6770	0.643	11	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.1510	1.184	4	108.6770	0.643	11	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.5000	0.000	1	108.6770	0.643	11	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1570	0.000	1	108.6770	0.643	11	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.3710	0.000	1	108.6770	0.643	11	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2{2|C<4>,2|N<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8980	0.058	2	108.6770	0.643	11	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HO)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1170	0.000	1	109.1115	0.000	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HO)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HO)(H)2{1|C<4>,2|C<3>,2|H<1>,2|N<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1060	0.000	1	109.1115	0.000	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	107.8468	1.014	4	108.1284	2.983	13	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9180	0.000	1	108.1284	2.983	13	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8305	1.511	2	108.1284	2.983	13	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0290	0.000	1	108.1284	2.983	13	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,6|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	105.8870	3.940	2	108.1284	2.983	13	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9667	0.074	3	108.1284	2.983	13	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]C[5a]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]C[5a]H)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>,2|N<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7660	0.000	1	108.7660	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9550	0.000	1	109.1609	0.023	7	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1952	0.135	6	109.1609	0.023	7	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]N[6a]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]N[6a]H)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>,3|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1770	0.000	1	109.1770	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]O[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]O[5]HH)(H)2{2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.3360	0.113	2	109.3360	0.013	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]N)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]N)(C[5]C[5,5]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6960	0.000	1	108.6960	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]N)(C[5]C[5,5]HO)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]N)(C[5]C[5,5]HO)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.2720	0.000	1	108.2720	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5,5]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5,5]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.3940	0.000	1	109.3940	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5,5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	107.1930	0.000	1	107.1930	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5,6]CO)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5,6]CO)(H)2{1|H<1>,1|O<1>,2|C<3>,2|O<2>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.5290	0.000	1	108.5290	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9770	0.000	1	108.8107	0.037	3	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5]HH)(H)2{2|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7275	0.180	2	108.8107	0.037	3	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]Ru)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6]Ru)(C[5]C[5,5]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1530	0.000	1	109.1530	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]N[6]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]N[6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6450	0.030	2	108.6450	0.001	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]N[6]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]N[6]H)(C[5]C[5,5]HH)(H)2{1|S<4>,2|C<3>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6770	0.000	1	108.6770	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]N[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]N[6]H)(C[5]C[5]HH)(H)2{1|C<2>,1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8165	0.009	2	108.8560	0.013	5	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]N[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]N[6]H)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8823	0.155	3	108.8560	0.013	5	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]O[6]C)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]O[6]C)(C[5]C[5,5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1140	0.000	1	109.1140	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]O[6]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]O[6]H)(C[5]C[5,5]HH)(H)2{1|C<3>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.2360	0.058	2	109.2360	0.003	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]O[6]H)(C[5]N[5,5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]O[6]H)(C[5]N[5,5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6960	0.000	1	108.6960	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]O[6]H)(C[5]O[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]O[6]H)(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1230	0.000	1	109.1230	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5]C[5,6]C[6])(C[5]C[5,5]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5]C[5,6]C[6])(C[5]C[5,5]CH)(H)2{1|C<3>,1|H<1>,1|O<1>,5|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	107.2360	0.000	1	107.2360	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5]C[5,6]C[6])(C[5]C[5,5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5]C[5,6]C[6])(C[5]C[5,5]HH)(H)2{1|O<1>,2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9000	0.037	3	108.9000	0.001	3	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5]C[6,6]C[6])(C[5]C[5,5]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5]C[6,6]C[6])(C[5]C[5,5]CH)(H)2{1|C<3>,1|H<1>,1|O<1>,5|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.2010	0.000	1	108.2995	0.019	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5]C[6,6]C[6])(C[5]C[5,5]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5]C[6,6]C[6])(C[5]C[5,5]CH)(H)2{1|C<3>,1|N<3>,3|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.3980	0.000	1	108.2995	0.019	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[5,5]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[5,5]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.5380	0.000	1	108.5380	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[5,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,4|O<2>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7340	0.000	1	108.7340	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5]O[6]2)(C[5]C[5]HO)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5]O[6]2)(C[5]C[5]HO)(H)2{1|H<1>,1|O<2>,4|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6670	0.000	1	108.6670	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5,5]HH)(H)2{1|C<3>,3|C<4>,3|O<2>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9420	0.000	1	108.9420	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5]CH)(H)2{1|H<1>,3|C<4>,3|O<2>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1450	0.000	1	109.1720	0.001	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5]CH)(H)2{1|O<1>,2|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1990	0.000	1	109.1720	0.001	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.3750	0.000	2	109.2815	0.015	4	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.2540	0.000	1	109.2815	0.015	4	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1220	0.000	1	109.2815	0.015	4	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6,6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6,6]H)(C[5]C[5,6]HH)(H)2{2|C<3>,5|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.4890	0.000	1	108.4890	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6,6a]H)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6,6a]H)(C[5]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7350	0.000	1	108.7350	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]Br)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]Br)(C[5]N[5,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0130	0.000	1	109.0130	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,5,6]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,5,6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.4535	0.025	2	108.4507	0.000	3	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,5,6]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,5,6]CC)(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.4450	0.000	1	108.4507	0.000	3	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]CC)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.4610	0.000	1	108.4610	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7425	0.090	2	108.7563	0.036	21	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.5766	0.199	5	108.7563	0.036	21	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8504	0.178	10	108.7563	0.036	21	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8770	0.000	1	108.7563	0.036	21	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7270	0.008	2	108.7563	0.036	21	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2{3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6790	0.000	1	108.7563	0.036	21	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8340	0.000	1	108.8340	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]N[5,6]HH)(H)2{3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9530	0.177	2	108.9530	0.031	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6400	0.000	1	108.6590	0.001	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6780	0.000	1	108.6590	0.001	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HO)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HO)(H)2{1|C<4>,1|H<1>,1|I<1>,1|O<2>,2|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9890	0.000	1	108.9890	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CH)(H)2{1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1935	0.087	2	109.1935	0.008	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.5230	0.000	1	110.0115	3.655	10	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6120	0.000	1	110.0115	3.655	10	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8810	0.537	2	110.0115	3.655	10	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2{3|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	110.8697	2.071	6	110.0115	3.655	10	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6800	0.000	1	108.7982	0.014	5	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|O<2>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9210	0.000	1	108.7982	0.014	5	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6630	0.000	1	108.7982	0.014	5	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8350	0.000	1	108.7982	0.014	5	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8920	0.000	1	108.7982	0.014	5	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HO)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HO)(H)2{3|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1445	0.021	2	109.1445	0.000	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(H)2{1|C<3>,1|O<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8660	0.047	2	108.8213	0.012	4	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6650	0.000	1	108.8213	0.012	4	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8880	0.000	1	108.8213	0.012	4	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]O[5]HO)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]O[5]HO)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6543	1.760	3	108.6543	3.097	3	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6240	0.044	2	108.6240	0.002	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6590	0.000	1	108.6590	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8530	0.000	1	108.7227	0.015	4	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7385	0.019	2	108.7227	0.015	4	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.5610	0.000	1	108.7227	0.015	4	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]N[5,5,6]H)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]N[5,5,6]H)(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<2>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	110.8160	0.505	2	110.8160	0.255	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]O[5,6]O)(C[5]C[5,6,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]O[5,6]O)(C[5]C[5,6,6]HH)(H)2{1|C<3>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9920	0.000	1	108.9920	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]O[6]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]O[6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9905	0.153	2	108.9905	0.024	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]O[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6]O[6]H)(C[5]C[5,6]HH)(H)2{2|C<3>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6510	0.000	1	108.6510	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6a]C[5,6]O)(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6a]C[5,6]O)(C[5]C[5,6a]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.5800	0.000	1	108.5800	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]C[6a]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]C[6a]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8640	0.000	1	108.8640	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7840	0.000	1	108.7840	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]2C)(C[5]C[5,6,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2C)(C[5]C[5,6,6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9250	0.000	1	108.9250	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]2C)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.5710	0.000	1	108.5710	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]2C[6])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2C[6])(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,5|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.4710	0.075	2	108.4710	0.006	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9125	0.275	4	108.9320	0.042	7	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0145	0.018	2	108.9320	0.042	7	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5,6]HH)(H)2{1|Se<2>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8450	0.000	1	108.9320	0.042	7	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]CC)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.4040	0.263	2	108.6245	0.743	4	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]CC)(H)2{3|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8450	1.401	2	108.6245	0.743	4	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.8800	0.000	1	107.1710	21.989	21	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	107.3540	2.432	2	107.1710	21.989	21	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.4560	0.000	1	107.1710	21.989	21	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	110.0480	0.000	1	107.1710	21.989	21	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|S<2>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9170	0.000	1	107.1710	21.989	21	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.2550	0.000	1	107.1710	21.989	21	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	89.3295	0.000	1	107.1710	21.989	21	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0820	0.000	1	107.1710	21.989	21	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	105.5912	3.553	5	107.1710	21.989	21	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{1|O<2>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8660	0.000	1	107.1710	21.989	21	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>,2|N<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.0060	0.000	1	107.1710	21.989	21	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0118	0.025	4	107.1710	21.989	21	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0400	0.000	1	107.1710	21.989	21	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HO)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HO)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.4420	0.000	1	109.1775	0.140	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HO)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HO)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9130	0.000	1	109.1775	0.140	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]SS)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]SS)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.4735	0.081	4	109.4735	0.007	4	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]C[6a]N[5]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]C[6a]N[5]H)(H)2{1|C<4>,1|N<3>,1|S<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7460	0.000	1	108.7460	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]N[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]N[5]CC)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7420	0.000	2	108.7420	0.000	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]N[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1927	0.072	3	108.9150	0.227	7	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]N[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]N[5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9867	0.046	3	108.9150	0.227	7	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]N[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]N[5]HH)(H)2{2|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	107.8670	0.000	1	108.9150	0.227	7	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]O[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]O[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9500	0.000	1	108.7682	0.029	5	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]O[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]O[5]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6443	0.028	3	108.7682	0.029	5	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]2H)(C[5]O[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2H)(C[5]O[5]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9580	0.000	1	108.7682	0.029	5	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]2O)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]2O)(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.5550	0.000	1	109.5550	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]B[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]B[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.7520	0.000	1	109.7520	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]B[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]B[6]C)(C[5]C[5]HH)(H)2{1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8100	0.000	1	108.8100	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]CC)(H)2{1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.2440	0.000	1	108.2440	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<2>,2|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	106.3365	2.928	2	107.7472	3.816	5	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8740	0.000	1	107.7472	3.816	5	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.5580	0.000	1	107.7472	3.816	5	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(H)2{4|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6310	0.000	1	107.7472	3.816	5	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]O[5]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]O[5]CH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1865	0.016	2	109.1865	0.000	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]O[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]O[5]HH)(H)2{1|B<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0140	0.000	1	108.8615	0.047	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]O[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]O[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,3|O<2>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7090	0.000	1	108.8615	0.047	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]CO)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]CO)(H)2{2|H<1>,5|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1100	0.000	1	109.1100	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9846	0.174	13	108.9502	0.103	52	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9610	0.000	1	108.9502	0.103	52	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8850	0.000	1	108.9502	0.103	52	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0420	0.000	1	108.9502	0.103	52	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7280	0.011	2	108.9502	0.103	52	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1457	0.273	3	108.9502	0.103	52	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{1|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8810	0.000	1	108.9502	0.103	52	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{1|N<2>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.5400	0.000	1	108.9502	0.103	52	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9620	0.390	28	108.9502	0.103	52	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{5|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.4690	0.000	1	108.9502	0.103	52	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8603	0.127	3	108.8445	0.017	8	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9300	0.045	2	108.8445	0.017	8	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2{2|H<1>,5|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7717	0.162	3	108.8445	0.017	8	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]N[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0550	0.000	1	109.0550	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]O[5]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]O[5]CH)(H)2{2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0000	0.062	2	109.0000	0.004	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[3,5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[3,5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0440	0.000	1	109.0440	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[4,5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[4,5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9750	0.000	1	108.9750	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.1073	2.804	3	108.8605	1.615	13	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1988	0.572	5	108.8605	1.615	13	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9742	0.043	5	108.8605	1.615	13	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8240	0.000	1	108.8280	0.003	3	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8850	0.000	1	108.8280	0.003	3	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H)2{2|C<3>,2|O<2>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7750	0.000	1	108.8280	0.003	3	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]BrH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]BrH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0027	0.202	3	109.0027	0.041	3	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CC)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9800	0.000	1	108.9800	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9620	0.203	9	108.9876	0.077	20	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.5205	0.548	2	108.9876	0.077	20	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2{1|H<1>,1|O<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.2110	0.010	2	108.9876	0.077	20	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0830	0.000	1	108.9876	0.077	20	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1408	0.191	5	108.9876	0.077	20	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8440	0.000	1	108.9876	0.077	20	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CO)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CO)(H)2{1|H<1>,1|O<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1460	0.045	2	109.1460	0.002	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0050	0.000	1	108.8683	2.994	450	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<2>,1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8810	0.073	3	108.8683	2.994	450	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<2>,1|H<1>,1|O<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8540	0.000	1	108.8683	2.994	450	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<2>,1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.5001	2.109	43	108.8683	2.994	450	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<2>,2|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8845	0.053	2	108.8683	2.994	450	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.2176	0.099	7	108.8683	2.994	450	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.2525	2.140	11	108.8683	2.994	450	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1720	0.220	8	108.8683	2.994	450	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.4605	0.029	2	108.8683	2.994	450	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0690	0.245	5	108.8683	2.994	450	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7575	0.664	35	108.8683	2.994	450	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6120	0.000	1	108.8683	2.994	450	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9255	0.025	2	108.8683	2.994	450	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|N<2>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9190	0.066	2	108.8683	2.994	450	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0588	0.068	4	108.8683	2.994	450	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.2102	0.665	52	108.8683	2.994	450	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9115	0.050	2	108.8683	2.994	450	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7459	1.039	30	108.8683	2.994	450	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9310	0.000	1	108.8683	2.994	450	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,5|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0140	0.000	1	108.8683	2.994	450	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,6|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	104.1550	0.000	1	108.8683	2.994	450	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|I<1>,2|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0447	0.110	4	108.8683	2.994	450	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.3902	3.482	41	108.8683	2.994	450	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	107.2937	2.872	3	108.8683	2.994	450	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0436	1.605	186	108.8683	2.994	450	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{3|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7710	0.068	2	108.8683	2.994	450	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.0970	1.312	2	108.5020	1.363	9	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.3590	0.095	2	108.5020	1.363	9	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2{1|N<2>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8290	0.000	1	108.5020	1.363	9	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	105.9240	0.000	1	108.5020	1.363	9	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2{2|H<1>,5|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9510	0.104	3	108.5020	1.363	9	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[6a]C[5]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[6a]C[5]H)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	107.0230	0.000	1	107.0230	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]N[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]N[5]HH)(H)2{6|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7510	0.000	1	108.7510	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.2260	0.000	1	110.4313	4.494	3	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1890	0.000	1	110.4313	4.494	3	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	112.8790	0.000	1	110.4313	4.494	3	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]HO)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]HO)(H)2{5|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.3730	0.000	1	109.3730	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8969	0.098	9	108.7083	0.526	40	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0440	0.025	2	108.7083	0.526	40	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.4350	1.486	6	108.7083	0.526	40	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	107.8967	1.459	3	108.7083	0.526	40	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7451	0.374	14	108.7083	0.526	40	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0560	0.000	1	108.7083	0.526	40	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9315	0.142	2	108.7083	0.526	40	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|N<3>,1|O<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8410	0.143	3	108.7083	0.526	40	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	110.9560	2.920	2	110.1767	6.086	3	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]HH)(H)2{1|O<1>,3|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6180	0.000	1	110.1767	6.086	3	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]2)(C[5]N[5,6]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]2)(C[5]N[5,6]CC)(H)2{1|Si<3>,1|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.5050	0.000	1	108.5050	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]Br)(C[5]N[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]Br)(C[5]N[5]HH)(H)2{3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7620	0.000	1	108.7620	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[3]O[5]C)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[3]O[5]C)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0100	0.000	1	109.0100	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,5]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0270	0.000	1	106.4623	19.343	3	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,5]HH)(H)2{2|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	105.1800	5.368	2	106.4623	19.343	3	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6200	0.000	1	108.6200	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8880	0.054	2	108.9590	0.017	3	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CH)(H)2{2|O<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1010	0.000	1	108.9590	0.017	3	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.5470	0.061	3	108.5025	0.007	11	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.4920	0.014	2	108.5025	0.007	11	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.5583	0.044	3	108.5025	0.007	11	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.4093	0.091	3	108.5025	0.007	11	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C[6a]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C[6a]H)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6090	0.322	2	108.6090	0.104	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.0937	0.102	3	108.4559	0.121	7	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>,2|O<2>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7550	0.000	1	108.4559	0.121	7	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|S<4>,2|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6820	0.000	1	108.4559	0.121	7	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8110	0.000	1	108.4559	0.121	7	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(H)2{3|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6620	0.000	1	108.4559	0.121	7	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	110.9930	0.000	1	109.0305	0.977	6	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.3140	0.000	1	109.0305	0.977	6	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8875	0.131	2	109.0305	0.977	6	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)(H)2{1|N<3>,1|O<1>,2|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.5390	0.000	1	109.0305	0.977	6	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)(H)2{1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.5620	0.000	1	109.0305	0.977	6	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CF)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CF)(H)2{1|N<3>,1|O<1>,2|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8405	0.013	2	108.8405	0.000	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.4990	0.000	1	109.0038	4.303	6	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8010	0.000	1	109.0038	4.303	6	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(H)2{1|C<3>,1|O<1>,2|H<1>,2|N<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.2290	3.245	3	109.0038	4.303	6	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0360	0.000	1	109.0038	4.303	6	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1360	0.000	1	108.7077	0.699	64	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0230	0.000	1	108.7077	0.699	64	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6330	0.000	1	108.7077	0.699	64	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6380	0.000	1	108.7077	0.699	64	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6140	0.000	1	108.7077	0.699	64	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6220	0.000	1	108.7077	0.699	64	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8750	0.011	2	108.7077	0.699	64	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7775	0.044	4	108.7077	0.699	64	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9515	0.079	6	108.7077	0.699	64	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|O<2>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6625	0.093	2	108.7077	0.699	64	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.4260	0.000	1	108.7077	0.699	64	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.4650	0.000	1	108.7077	0.699	64	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6430	0.000	1	108.7077	0.699	64	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.4900	0.000	1	108.7077	0.699	64	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6350	0.000	1	108.7077	0.699	64	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|H<1>,2|C<4>,2|O<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.2585	0.984	2	108.7077	0.699	64	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8540	0.000	1	108.7077	0.699	64	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0605	0.192	2	108.7077	0.699	64	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7920	0.000	1	108.7077	0.699	64	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.3812	1.642	13	108.7077	0.699	64	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.5500	0.000	1	108.7077	0.699	64	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7205	0.046	2	108.7077	0.699	64	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0080	0.255	2	108.7077	0.699	64	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.5540	0.000	1	108.7077	0.699	64	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7440	0.096	2	108.7077	0.699	64	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	106.3600	0.000	1	108.7077	0.699	64	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8575	0.124	2	108.7077	0.699	64	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0690	0.083	4	108.7077	0.699	64	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0872	0.062	5	108.7077	0.699	64	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]2O[5])(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]2O[5])(H)2{1|C<4>,3|H<1>,5|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.3355	1.341	2	108.3355	1.799	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]C[5]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]C[5]H)(H)2{1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0975	0.094	2	109.0975	0.009	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]CH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0530	0.000	1	109.0530	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1170	0.000	1	109.1170	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1080	0.000	1	107.5597	7.877	3	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CH)(H)2{1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.2510	0.000	1	107.5597	7.877	3	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	104.3200	0.000	1	107.5597	7.877	3	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9110	0.000	1	108.9110	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]O[5]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]O[5]CH)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.3550	0.000	1	109.3550	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8130	0.000	1	108.8110	0.008	4	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6920	0.000	1	108.8110	0.008	4	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8695	0.039	2	108.8110	0.008	4	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5]HH)(H)2{1|C<3>,2|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0930	0.068	2	109.0930	0.005	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7500	0.000	1	108.7500	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CC)(H)2{1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7670	0.065	2	108.7264	0.003	7	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CC)(H)2{3|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7102	0.042	5	108.7264	0.003	7	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6400	0.000	1	108.6478	0.005	4	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(H)2{1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6355	0.122	2	108.6478	0.005	4	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(H)2{2|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6800	0.000	1	108.6478	0.005	4	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[5]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[5]H)(H)2{1|C<3>,1|O<1>,7|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8090	0.000	1	108.8090	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6]H)(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7110	0.000	1	108.7110	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.4920	0.011	2	108.8806	0.785	19	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7070	0.000	1	108.8806	0.785	19	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	107.7433	1.038	3	108.8806	0.785	19	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8460	0.000	1	108.8806	0.785	19	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9220	0.000	1	108.8806	0.785	19	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	111.0590	0.000	1	108.8806	0.785	19	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|H<1>,1|S<4>,5|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6960	0.000	1	108.8806	0.785	19	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|H<1>,2|C<3>,2|O<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	110.3850	0.000	1	108.8806	0.785	19	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9100	0.000	1	108.8806	0.785	19	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|S<2>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6410	0.000	1	108.8806	0.785	19	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|Si<4>,1|C<3>,1|N<3>,1|O<1>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7115	0.041	4	108.8806	0.785	19	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{2|C<3>,5|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.5890	0.000	1	108.8806	0.785	19	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{2|H<1>,5|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9160	0.000	1	108.8806	0.785	19	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7330	0.000	1	108.1697	2.517	6	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2{1|C<3>,6|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.5620	0.000	1	108.1697	2.517	6	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	104.9470	0.000	1	108.1697	2.517	6	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2{1|C<4>,1|N<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8885	0.078	2	108.1697	2.517	6	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9990	0.000	1	108.1697	2.517	6	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6830	0.000	1	108.3959	0.848	34	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6500	0.000	1	108.3959	0.848	34	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	107.6730	0.000	1	108.3959	0.848	34	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.2187	0.670	3	108.3959	0.848	34	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6015	0.045	2	108.3959	0.848	34	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|C<3>,1|S<2>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7270	0.000	1	108.3959	0.848	34	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	106.1000	0.000	1	108.3959	0.848	34	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7410	0.034	2	108.3959	0.848	34	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9020	0.000	1	108.3959	0.848	34	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0030	0.131	3	108.3959	0.848	34	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9920	0.000	1	108.3959	0.848	34	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7460	0.000	1	108.3959	0.848	34	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.3050	1.353	6	108.3959	0.848	34	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|S<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9150	0.000	1	108.3959	0.848	34	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	106.3935	0.199	2	108.3959	0.848	34	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8330	0.000	1	108.3959	0.848	34	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9330	0.000	1	108.3959	0.848	34	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{2|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6720	0.000	1	108.3959	0.848	34	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{3|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8273	0.134	3	108.3959	0.848	34	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{3|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.1840	0.000	1	108.3959	0.848	34	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7300	0.260	2	109.1512	1.528	10	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2{1|C<3>,1|O<2>,5|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9760	0.000	1	109.1512	1.528	10	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8260	0.000	1	109.1512	1.528	10	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.5600	0.000	2	109.1512	1.528	10	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7640	0.000	1	109.1512	1.528	10	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	112.6400	0.000	1	109.1512	1.528	10	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8630	0.064	2	109.1512	1.528	10	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C[6]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C[6]H)(H)2{1|C<3>,1|C<4>,4|H<1>,4|O<2>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8350	0.000	1	109.0113	0.058	9	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C[6]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C[6]H)(H)2{2|C<4>,4|H<1>,4|O<2>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0947	0.190	7	109.0113	0.058	9	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C[6]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C[6]H)(H)2{3|C<4>,3|H<1>,4|O<2>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6040	0.000	1	109.0113	0.058	9	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]ClH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]ClH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8950	0.000	1	109.0665	0.059	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]ClH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]ClH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.2380	0.000	1	109.0665	0.059	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<2>,1|C<3>,1|N<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0630	0.000	1	108.8314	0.567	112	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<2>,1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9825	0.042	2	108.8314	0.567	112	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<2>,5|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1250	0.000	1	108.8314	0.567	112	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.2210	0.000	1	108.8314	0.567	112	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7605	0.419	2	108.8314	0.567	112	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|S<4>,2|H<1>,2|O<2>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6525	0.158	2	108.8314	0.567	112	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1010	0.000	1	108.8314	0.567	112	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9439	0.105	7	108.8314	0.567	112	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.5717	0.796	3	108.8314	0.567	112	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0041	0.071	7	108.8314	0.567	112	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9380	0.000	1	108.8314	0.567	112	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	113.2390	0.000	1	108.8314	0.567	112	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<4>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7500	0.000	1	108.8314	0.567	112	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0880	0.000	1	108.8314	0.567	112	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0590	0.151	3	108.8314	0.567	112	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.2790	0.000	1	108.8314	0.567	112	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6510	0.000	1	108.8314	0.567	112	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6206	0.549	9	108.8314	0.567	112	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.4200	0.000	1	108.8314	0.567	112	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	107.9797	1.878	4	108.8314	0.567	112	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8120	0.000	1	108.8314	0.567	112	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.5820	0.000	1	108.8314	0.567	112	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9483	0.090	3	108.8314	0.567	112	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8970	0.000	1	108.8314	0.567	112	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0853	0.084	3	108.8314	0.567	112	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.5617	0.402	6	108.8314	0.567	112	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9040	0.000	1	108.8314	0.567	112	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.5780	0.000	1	108.8314	0.567	112	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0207	0.036	3	108.8314	0.567	112	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1030	0.000	1	108.8314	0.567	112	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9467	0.002	3	108.8314	0.567	112	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0510	0.000	1	108.8314	0.567	112	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,6|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6730	0.148	2	108.8314	0.567	112	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1480	0.000	1	108.8314	0.567	112	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.5960	0.000	1	108.8314	0.567	112	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|N<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6810	0.000	1	108.8314	0.567	112	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|N<4>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	105.8670	0.000	1	108.8314	0.567	112	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6340	0.585	6	108.8314	0.567	112	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0210	0.000	1	108.8314	0.567	112	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0300	0.000	1	108.8314	0.567	112	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7510	0.064	2	108.8314	0.567	112	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1010	0.117	4	108.8314	0.567	112	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6323	1.071	9	108.8314	0.567	112	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|S<4>,2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0920	0.000	1	108.8314	0.567	112	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0860	0.000	1	108.8314	0.567	112	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1190	0.000	1	108.8314	0.567	112	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6730	0.000	1	108.8314	0.567	112	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6340	0.000	2	108.8314	0.567	112	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7190	0.000	1	108.8314	0.567	112	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0760	0.000	1	108.8314	0.567	112	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9310	0.000	1	108.9160	0.175	9	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9170	0.000	1	108.9160	0.175	9	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7290	0.000	1	108.9160	0.175	9	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6350	0.000	1	108.9160	0.175	9	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|C<4>,1|O<2>,5|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6920	0.000	1	108.9160	0.175	9	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0530	0.000	1	108.9160	0.175	9	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2{2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.3345	0.882	2	108.9160	0.175	9	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2{3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6180	0.000	1	108.9160	0.175	9	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]SiH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]SiH)(H)2{1|B<3>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.5590	0.000	1	108.5590	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(H)2{1|C<4>,2|C<3>,3|H<1>,3|O<2>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9320	0.000	1	108.9320	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]O)(H)2{1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1930	0.014	2	109.1930	0.000	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]H)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8160	0.010	2	108.9980	0.024	6	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]H)(H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1280	0.040	2	108.9980	0.024	6	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]H)(H)2{1|N<2>,2|H<1>,5|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9670	0.000	1	108.9980	0.024	6	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]H)(H)2{1|S<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1330	0.000	1	108.9980	0.024	6	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	106.7750	0.000	1	108.3770	1.940	3	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(H)2{1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1780	0.175	2	108.3770	1.940	3	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CC)(H)2{1|C<3>,1|O<2>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8100	0.000	1	108.8100	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1880	0.000	1	108.9957	0.021	12	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9685	0.065	6	108.9957	0.021	12	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0970	0.000	1	108.9957	0.021	12	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2{1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8340	0.000	1	108.9957	0.021	12	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2{2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9760	0.351	2	108.9957	0.021	12	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2{3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0660	0.000	1	108.9957	0.021	12	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|S<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1105	0.122	2	108.7637	2.546	22	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0935	1.010	4	108.7637	2.546	22	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8240	0.000	1	108.7637	2.546	22	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8640	0.045	2	108.7637	2.546	22	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1740	0.126	2	108.7637	2.546	22	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{1|N<3>,1|S<4>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1930	0.000	1	108.7637	2.546	22	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{1|O<2>,1|S<4>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0850	0.055	2	108.7637	2.546	22	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{1|S<4>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6310	0.000	1	108.7637	2.546	22	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{2|C<3>,2|H<1>,2|O<2>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1325	0.040	2	108.7637	2.546	22	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8790	0.000	1	108.7637	2.546	22	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1475	0.384	2	108.7637	2.546	22	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	105.9370	5.675	2	108.7637	2.546	22	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)(H)2{1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	105.9570	0.000	3	105.9570	0.000	3	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2{1|C<3>,1|N<2>,1|S<2>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0940	0.041	2	109.1654	0.813	28	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.2420	0.000	1	109.1654	0.813	28	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9395	0.074	2	109.1654	0.813	28	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2{1|C<3>,1|O<2>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1755	0.013	2	109.1654	0.813	28	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	111.3755	3.129	2	109.1654	0.813	28	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2{1|H<1>,2|C<3>,2|F<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.1220	0.000	1	109.1654	0.813	28	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9902	0.210	16	109.1654	0.813	28	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1960	0.000	1	109.1654	0.813	28	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0590	0.000	1	109.1654	0.813	28	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HO)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.2320	0.000	1	109.1040	0.013	3	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HO)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0630	0.000	1	109.1040	0.013	3	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HO)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HO)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0170	0.000	1	109.1040	0.013	3	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]P[5]CO)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]P[5]CO)(H)2{1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.4490	0.000	1	108.4490	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]S[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]S[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6300	0.000	1	108.5113	0.011	4	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]S[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]S[5]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.4690	0.115	2	108.5113	0.011	4	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]S[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]S[5]HH)(H)2{2|C<3>,2|O<1>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.4770	0.000	1	108.5113	0.011	4	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]N[5])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9050	0.000	1	108.9050	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CC)(H)2{1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6290	0.000	1	107.4145	2.950	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CC)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	106.2000	0.000	1	107.4145	2.950	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(H)2{2|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0220	0.000	1	110.5680	4.780	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(H)2{2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	112.1140	0.000	1	110.5680	4.780	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.2950	0.000	1	108.8491	0.138	21	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8777	0.061	3	108.8491	0.138	21	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8600	0.102	2	108.8491	0.138	21	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	107.4700	0.000	1	108.8491	0.138	21	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7690	0.000	1	108.8491	0.138	21	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7920	0.000	1	108.8491	0.138	21	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1480	0.000	1	108.8491	0.138	21	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8596	0.073	7	108.8491	0.138	21	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.5820	0.000	1	108.8491	0.138	21	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.4880	0.000	1	108.8491	0.138	21	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{2|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9590	0.030	2	108.8491	0.138	21	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.2350	0.124	2	109.1883	0.014	3	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5]CH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0950	0.000	1	109.1883	0.014	3	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5]CO)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5]CO)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9110	0.045	2	108.9110	0.002	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|S<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0160	0.000	1	109.0124	0.000	5	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9870	0.000	1	109.0124	0.000	5	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0220	0.000	1	109.0124	0.000	5	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5]HH)(H)2{1|N<2>,1|O<1>,2|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0185	0.023	2	109.0124	0.000	5	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[6a]O[5]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[6a]O[5]H)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.2590	0.132	2	109.2590	0.017	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]CH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.2360	0.000	1	109.2360	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]CO)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]CO)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.2205	0.148	2	109.2205	0.022	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,2|C<4>,2|O<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.3860	0.000	1	108.0173	2.193	4	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	106.7620	0.502	2	108.0173	2.193	4	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(H)2{1|O<1>,1|S<2>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1590	0.000	1	108.0173	2.193	4	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]Ru)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]Ru)(C[5]C[5]HH)(H)2{2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1312	0.097	8	109.1312	0.009	8	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]S)(C[5]N[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]S)(C[5]N[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9450	0.000	1	108.9940	0.005	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]S)(C[5]N[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]S)(C[5]N[5]HH)(H)2{2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0430	0.000	1	108.9940	0.005	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]S)(C[5]O[5]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]S)(C[5]O[5]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	106.7620	0.000	1	106.7620	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]Si)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]Si)(C[5]C[5,6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8298	0.055	4	108.8298	0.003	4	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]N[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]N[5]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.4410	0.000	1	108.8140	0.177	4	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]N[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]N[5]HH)(H)2{2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6320	0.000	1	108.8140	0.177	4	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]N[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]N[5]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.5915	0.083	2	108.8140	0.177	4	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]O[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]O[5]HH)(H)2{1|O<1>,4|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.2800	0.069	2	109.2800	0.005	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]N[5,6]C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[5,6]C[5])(C[5]C[5]HH)(H)2{1|Si<5>,1|C<3>,1|C<4>,1|N<2>,5|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	106.5035	3.624	2	106.5035	13.133	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0000	0.000	1	109.0000	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1090	0.000	1	108.9339	0.196	35	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8835	0.269	2	108.9339	0.196	35	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,2|O<2>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.5365	0.620	2	108.9339	0.196	35	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8763	0.026	6	108.9339	0.196	35	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9495	0.203	2	108.9339	0.196	35	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6517	0.975	6	108.9339	0.196	35	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9455	0.012	4	108.9339	0.196	35	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9902	0.103	11	108.9339	0.196	35	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9980	0.000	1	108.9339	0.196	35	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[6]O[5]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[6]O[5]H)(H)2{2|H<1>,2|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.2650	0.000	1	109.2650	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]N[6,6]H)(C[5]C[5]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[6,6]H)(C[5]C[5]CH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1380	0.000	1	109.1380	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8058	0.092	12	108.8259	0.010	14	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9465	0.005	2	108.8259	0.010	14	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7620	0.000	1	107.2743	7.748	3	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5]HH)(H)2{2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9980	0.000	1	107.2743	7.748	3	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	104.0630	0.000	1	107.2743	7.748	3	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|N<3>,1|P<4>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7270	0.024	2	108.9448	0.036	13	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|N<3>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8972	0.113	8	108.9448	0.036	13	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]HH)(H)2{1|N<3>,2|C<3>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.2170	0.048	3	108.9448	0.036	13	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|S<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1650	0.000	1	109.1382	0.024	5	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.2640	0.000	1	109.1382	0.024	5	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,1|S<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9400	0.000	1	109.1382	0.024	5	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|S<2>,1|S<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.3000	0.000	1	109.1382	0.024	5	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0220	0.000	1	109.1382	0.024	5	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,2|S<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.2185	0.022	2	109.2185	0.000	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(C[5]O[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]O[5]HH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.2100	0.000	1	109.2100	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]O[5,6]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[5,6]C)(C[5]C[5,6]HH)(H)2{1|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0590	2.692	3	109.0590	7.247	3	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]O[5,6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[5,6]H)(C[5]C[5,6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1510	0.031	2	109.1510	0.001	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]O[5]O[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[5]O[6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1735	0.106	4	109.2142	0.017	5	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]O[5]O[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[5]O[6])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.3770	0.000	1	109.2142	0.017	5	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.3723	0.884	3	108.5667	0.672	4	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1500	0.000	1	108.5667	0.672	4	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]HO)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]HO)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8530	0.000	1	108.8530	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5,6]HO)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7170	0.000	1	108.7170	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	107.2730	0.000	1	108.7697	0.208	16	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.3010	0.000	1	108.7697	0.208	16	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.2410	0.000	1	108.7697	0.208	16	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9730	0.035	2	108.7697	0.208	16	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<2>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7530	0.000	1	108.7697	0.208	16	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8520	0.000	1	108.7697	0.208	16	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8650	0.064	2	108.7697	0.208	16	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7456	0.207	7	108.7697	0.208	16	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]O[5]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]O[5]H)(H)2{1|H<1>,2|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0180	0.000	1	109.0180	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9840	0.000	1	108.9840	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[6a]O[5]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[6a]O[5]H)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0790	0.000	1	109.0790	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0090	0.000	1	109.0287	0.006	3	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9630	0.000	1	109.0287	0.006	3	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1140	0.000	1	109.0287	0.006	3	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9240	0.000	1	108.9240	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HO)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HO)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.2655	0.170	2	109.2655	0.029	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]N)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]N)(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7540	0.000	1	108.7540	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]S[6]2)(C[5]C[5,6]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]S[6]2)(C[5]C[5,6]CH)(H)2{1|C<3>,1|H<1>,1|S<4>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9330	0.000	1	108.9330	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]S[6]2)(C[5]N[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]S[6]2)(C[5]N[5,6]HH)(H)2{1|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	118.0820	0.000	1	118.0820	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]S[6]H)(C[5]C[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]S[6]H)(C[5]C[5]CC)(H)2{1|C<3>,1|S<2>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8105	0.378	2	108.8105	0.143	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]S[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]S[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9010	0.000	1	108.9010	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]S[6]H)(C[5]N[6a]O[5]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]S[6]H)(C[5]N[6a]O[5]H)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.2010	0.000	1	109.2010	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a]H)(H)2{2|H<1>,7|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7440	0.000	1	108.7440	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]HH)(H)2{1|O<1>,5|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7280	0.000	1	108.7280	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6a]C[6,6a]O[6])(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6a]C[6,6a]O[6])(C[5]C[5,6a]HH)(H)2{5|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8110	0.000	1	108.8110	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]CH)(H)2{1|H<1>,5|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	110.8630	0.000	1	110.8630	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.4720	0.000	1	108.4720	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.3650	0.000	1	108.3698	0.032	5	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CC)(H)2{1|N<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6780	0.000	1	108.3698	0.032	5	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CC)(H)2{1|N<3>,2|C<3>,2|O<1>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.2687	0.037	3	108.3698	0.032	5	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)(H)2{1|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.5690	0.000	1	108.5053	0.023	4	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)(H)2{1|H<1>,2|O<1>,5|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.4700	0.250	2	108.5053	0.023	4	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.5120	0.000	1	108.5053	0.023	4	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,6|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7860	0.000	1	108.7163	0.015	34	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.5935	0.054	2	108.7163	0.015	34	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|O<1>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8260	0.154	2	108.7163	0.015	34	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,7|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6905	0.077	2	108.7163	0.015	34	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|O<1>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8520	0.000	1	108.7163	0.015	34	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,8|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8260	0.000	1	108.7163	0.015	34	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,6|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7370	0.000	1	108.7163	0.015	34	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6790	0.164	2	108.7163	0.015	34	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8130	0.000	1	108.7163	0.015	34	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<3>,4|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6490	0.000	1	108.7163	0.015	34	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,6|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8810	0.000	1	108.7163	0.015	34	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7990	0.000	2	108.7163	0.015	34	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6465	0.176	6	108.7163	0.015	34	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8485	0.030	2	108.7163	0.015	34	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|H<1>,2|O<1>,5|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6160	0.000	1	108.7163	0.015	34	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8460	0.000	1	108.7163	0.015	34	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6490	0.037	2	108.7163	0.015	34	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,2|S<2>,3|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6105	0.025	2	108.7163	0.015	34	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6780	0.000	1	108.7163	0.015	34	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6140	0.000	1	108.7163	0.015	34	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{2|C<3>,8|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7850	0.000	1	108.7163	0.015	34	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5]H)(H)2{1|C<4>,1|O<1>,3|C<3>,6|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6260	0.223	3	108.6260	0.050	3	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5]O)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5]O)(H)2{2|C<4>,2|H<1>,2|O<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.4680	0.000	1	108.4680	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|As<2>,1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.5215	0.030	2	108.4252	0.020	41	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|B<3>,1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.1810	0.000	1	108.4252	0.020	41	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|B<6>,1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6830	0.000	1	108.4252	0.020	41	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|Be<2>,1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.5190	0.000	1	108.4252	0.020	41	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|Be<3>,1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.5680	0.000	1	108.4252	0.020	41	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|C<2>,1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.1555	0.012	4	108.4252	0.020	41	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.2750	0.000	1	108.4252	0.020	41	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.3740	0.000	1	108.4252	0.020	41	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|C<3>,1|P<2>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.5120	0.040	3	108.4252	0.020	41	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|C<3>,1|P<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.3100	0.000	1	108.4252	0.020	41	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|C<3>,1|P<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.4240	0.018	2	108.4252	0.020	41	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|C<3>,1|S<1>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.4100	0.000	1	108.4252	0.020	41	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.4670	0.000	1	108.4252	0.020	41	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.4300	0.042	2	108.4252	0.020	41	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|Ga<4>,1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.4390	0.000	1	108.4252	0.020	41	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|Ga<4>,1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.1660	0.000	1	108.4252	0.020	41	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|Ge<2>,1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.4835	0.029	2	108.4252	0.020	41	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|Ni<3>,1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.5690	0.000	1	108.4252	0.020	41	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|Ni<4>,1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.4410	0.000	1	108.4252	0.020	41	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|Si<2>,1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.4420	0.000	1	108.4252	0.020	41	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|Si<3>,1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6530	0.000	1	108.4252	0.020	41	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|Si<4>,1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.5520	0.001	2	108.4252	0.020	41	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|Si<4>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6640	0.000	1	108.4252	0.020	41	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.4208	0.047	6	108.4252	0.020	41	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.4820	0.000	1	108.4252	0.020	41	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.2870	0.000	1	108.4252	0.020	41	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CH)(H)2{1|S<4>,2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.5900	0.000	1	108.5900	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|S<4>,2|O<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	110.5010	0.000	1	109.0392	0.915	13	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|O<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8033	0.025	3	109.0392	0.915	13	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	110.7190	0.000	1	109.0392	0.915	13	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	106.8230	0.000	1	109.0392	0.915	13	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2{1|C<3>,1|O<1>,1|S<4>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7780	0.000	1	109.0392	0.915	13	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9590	0.000	1	109.0392	0.915	13	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2{1|C<4>,1|N<3>,2|O<1>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8687	0.139	3	109.0392	0.915	13	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>,1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8390	0.000	1	109.0392	0.915	13	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.8740	0.000	1	109.0392	0.915	13	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]CH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.4480	0.037	2	109.4008	0.138	5	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]CH)(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.9700	0.000	1	109.4008	0.138	5	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]CH)(H)2{1|C<3>,2|N<3>,2|O<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0690	0.010	2	109.4008	0.138	5	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|S<2>,6|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6230	0.000	1	108.8735	0.019	6	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,2|O<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9330	0.093	2	108.8735	0.019	6	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9030	0.000	1	108.8735	0.019	6	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HH)(H)2{1|S<4>,2|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9245	0.108	2	108.8735	0.019	6	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]N[6])(C[5]N[5]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]N[6])(C[5]N[5]CH)(H)2{1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9410	0.000	1	108.9410	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]N[6])(C[5]N[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]N[6])(C[5]N[5]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	110.2060	0.000	1	109.4390	1.177	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]N[6])(C[5]N[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]N[6])(C[5]N[5]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6720	0.000	1	109.4390	1.177	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]N[6])(C[5]O[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]N[6])(C[5]O[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1250	0.000	1	109.1250	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8680	0.000	1	109.1853	1.202	9	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(H)2{2|C<4>,2|O<2>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8153	0.130	7	109.1853	1.202	9	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(H)2{3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	112.0930	0.000	1	109.1853	1.202	9	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]N[6]2)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]N[6]2)(C[5]C[5]HH)(H)2{2|C<3>,6|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8860	0.276	5	108.8860	0.076	5	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]O[6]2)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]O[6]2)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7610	0.000	1	108.5820	0.025	3	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]O[6]2)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]O[6]2)(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.4925	0.045	2	108.5820	0.025	3	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]S[6]2)(C[5]C[5]HO)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5]S[6]2)(C[5]C[5]HO)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6700	0.000	1	108.6700	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5a,6]C[5,6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5a,6]C[5,6]C)(C[5]C[5]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9340	0.126	2	108.9340	0.016	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5a,6]C[5,6]H)(C[5]C[5,6]C[6a]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5a,6]C[5,6]H)(C[5]C[5,6]C[6a]H)(H)2{1|H<1>,1|O<2>,2|C<4>,4|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8830	0.000	1	108.8830	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5a,6]C[5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5a,6]C[5,6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7410	0.000	1	108.7410	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5a,6]C[5,6]H)(C[5]N[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5a,6]C[5,6]H)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.3520	0.000	1	108.3520	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.2270	0.000	1	109.2270	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0705	0.071	2	109.0416	0.003	5	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0223	0.043	3	109.0416	0.003	5	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]S[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]S[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|O<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.9275	0.627	2	109.9275	0.393	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5a,6]N[5,6]C[6a])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5a,6]N[5,6]C[6a])(C[5]C[5]HH)(H)2{2|H<1>,5|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1730	0.000	1	109.1730	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5a,6]N[5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5a,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1429	0.107	9	109.0937	0.024	11	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5a,6]N[5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5a,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|N<3>,1|O<1>,2|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9890	0.000	1	109.0937	0.024	11	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5a,6]N[5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5a,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|O<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7560	0.000	1	109.0937	0.024	11	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5a,6]O[5,6]H)(C[5]C[5,6]C[6a]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5a,6]O[5,6]H)(C[5]C[5,6]C[6a]H)(H)2{1|C<4>,5|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0260	0.000	1	109.0260	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5a]O[5]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5a]O[5]H)(H)2{1|H<1>,1|O<1>,3|C<3>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6340	0.012	4	108.6470	0.001	6	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5a]O[5]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5a]O[5]H)(H)2{1|O<1>,2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6330	0.000	1	108.6470	0.001	6	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5a]O[5]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5a]O[5]H)(H)2{1|O<1>,2|H<1>,3|C<3>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7130	0.000	1	108.6470	0.001	6	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8880	0.000	1	108.8880	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HO)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HO)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1200	0.000	1	109.1200	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9183	0.114	3	108.9946	0.022	7	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.2730	0.000	1	108.9946	0.022	7	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9780	0.062	3	108.9946	0.022	7	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6]O[5,6]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6]O[5,6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,1|S<2>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.2100	0.000	1	108.2100	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6]O[5]O[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6]O[5]O[6])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1300	0.000	1	109.1300	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6a]2C[5,5])(C[5]N[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]2C[5,5])(C[5]N[5]HH)(H)2{1|C<4>,6|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.5635	0.033	2	108.5635	0.001	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.4770	0.000	1	108.7600	0.160	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0430	0.000	1	108.7600	0.160	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5]N[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5]N[5]HH)(H)2{1|C<2>,1|C<4>,3|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0140	0.000	1	109.0140	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[5,6]C[5])(C[5]N[5]HH)(H)2{1|O<1>,2|C<4>,4|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6270	0.000	1	108.8380	0.089	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[5,6]C[5])(C[5]N[5]HH)(H)2{1|O<1>,3|C<3>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0490	0.000	1	108.8380	0.089	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0530	0.000	1	108.9873	0.048	3	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,3|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1660	0.000	1	108.9873	0.048	3	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7430	0.000	1	108.9873	0.048	3	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5,6]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5,6]CH)(H)2{1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.5960	0.000	1	108.5960	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]O[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]O[5]HH)(H)2{1|C<4>,3|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1010	0.000	1	109.1010	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]O)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[5,6]O)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8880	0.000	1	108.8880	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]O)(C[5]N[5]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[5,6]O)(C[5]N[5]CH)(H)2{1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.4070	0.000	1	109.4070	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]S)(C[5]N[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[5,6]S)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|S<3>,2|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7860	0.000	1	108.7860	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HH)(H)2{1|Br<1>,1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.5070	0.000	1	108.7188	0.022	8	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|F<1>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7903	0.015	3	108.7188	0.022	8	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6465	0.063	2	108.7188	0.022	8	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HH)(H)2{2|C<3>,2|N<2>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7895	0.262	2	108.7188	0.022	8	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]N[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]N[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9230	0.000	1	108.9230	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5]N[6])(C[5]N[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[5]N[6])(C[5]N[5]HH)(H)2{1|C<4>,4|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.2410	0.000	1	109.2410	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1880	0.000	1	109.1880	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9450	0.000	1	109.2164	6.589	9	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HH)(H)2{2|O<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.2504	2.742	8	109.2164	6.589	9	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HO)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9820	0.000	1	109.0505	0.009	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HO)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HO)(H)2{1|O<1>,1|O<2>,3|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1190	0.000	1	109.0505	0.009	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]N[5,6]C)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0040	0.010	3	109.0040	0.000	3	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9445	0.169	2	108.9445	0.029	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HN)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HN)(H)2{2|C<2>,3|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.5240	0.000	1	108.5240	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]O[5]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]O[5]CH)(H)2{1|O<2>,2|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1795	0.101	2	109.1795	0.010	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]CC)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0420	0.000	1	109.0420	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1120	0.000	1	109.1120	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]C[6a]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]C[6a]H)(H)2{1|C<4>,5|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0840	0.000	1	109.0840	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]HO)(H)2{1|S<2>,3|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0450	0.352	2	109.0450	0.124	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[5,6]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5,6]CH)(H)2{1|O<1>,4|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7040	0.000	1	108.7040	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[5]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]CH)(H)2{1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8490	0.000	1	108.8490	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,2|N<3>,2|O<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	110.6960	0.000	1	108.9608	0.813	24	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6452	0.700	12	108.9608	0.813	24	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{1|C<4>,1|S<4>,8|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.4310	0.000	1	108.9608	0.813	24	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{1|C<4>,2|O<1>,2|O<2>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	110.5475	1.873	2	108.9608	0.813	24	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0530	0.000	1	108.9608	0.813	24	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{1|O<1>,3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8750	0.063	3	108.9608	0.813	24	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{1|O<1>,3|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7800	0.000	1	108.9608	0.813	24	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{1|O<2>,1|S<4>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.5780	0.000	1	108.9608	0.813	24	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{2|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8750	0.000	1	108.9608	0.813	24	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{3|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1830	0.000	1	108.9608	0.813	24	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6]2N[5])(C[5]C[5]N[5]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]N[5]H)(H)2{1|C<4>,1|O<1>,4|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.5580	0.081	2	108.5580	0.006	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[5]C[5,5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2O[5])(C[5]C[5,5]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.5130	0.000	1	108.5130	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[5]C[5]2H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]2H)(H)2{2|C<3>,3|C<4>,6|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.0930	0.000	1	108.0930	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)(H)2{1|O<2>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8010	0.000	1	108.9235	0.030	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)(H)2{2|C<3>,2|H<1>,2|O<2>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0460	0.000	1	108.9235	0.030	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,2|O<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.2030	0.000	1	109.3136	0.528	9	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0870	0.074	2	109.3136	0.528	9	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9755	0.189	2	109.3136	0.528	9	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7050	0.000	1	109.3136	0.528	9	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|O<2>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	110.8250	0.000	1	109.3136	0.528	9	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7310	0.000	1	109.3136	0.528	9	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2{2|O<2>,6|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	110.2330	0.000	1	109.3136	0.528	9	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HO)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HO)(H)2{1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9645	0.005	6	108.9645	0.000	6	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5]H)(H)2{1|C<4>,1|N<3>,3|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8870	0.000	1	108.8870	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6]2O[5])(C[5]O[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]2O[5])(C[5]O[5]CC)(H)2{2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8460	0.000	1	108.8460	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0150	0.000	1	109.0150	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6]N[6]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]N[6]O[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9601	0.239	8	108.9601	0.057	8	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6]N[6]O[5])(C[5]N[5]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]N[6]O[5])(C[5]N[5]CH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9480	0.000	1	108.9480	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5,6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.4380	0.000	1	109.4380	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9760	0.000	1	109.0846	0.503	9	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	110.5340	0.000	1	109.0846	0.503	9	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1450	0.000	1	109.0846	0.503	9	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2{1|Fe<7>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0510	0.000	1	109.0846	0.503	9	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9765	0.045	2	109.0846	0.503	9	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1830	0.000	1	109.0846	0.503	9	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2{3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.4595	1.044	2	109.0846	0.503	9	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HO)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HO)(H)2{1|N<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9240	0.000	1	108.9240	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,5,6]C[6]H)(C[5]C[5,6]HH)(H)2{3|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.9656	1.330	10	109.9656	1.768	10	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,5,6]C[6]O)(C[5]C[5,5]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,5,6]C[6]O)(C[5]C[5,5]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6170	0.000	1	108.6170	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	111.4260	0.000	1	108.6520	3.829	6	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	105.2830	0.000	1	108.6520	3.829	6	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7140	0.000	1	108.6520	3.829	6	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2{3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8297	0.002	3	108.6520	3.829	6	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]2H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]2H)(C[5]C[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9570	0.000	1	108.9570	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[5]C[6])(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8470	0.163	2	108.8470	0.026	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]2)(C[5]C[5,6]C[6a]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]2)(C[5]C[5,6]C[6a]H)(H)2{1|S<4>,2|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.4890	0.000	1	108.4890	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5,6]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5,6]CC)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0640	0.000	1	109.0640	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8410	0.000	1	107.7903	0.491	4	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	107.4400	0.000	3	107.7903	0.491	4	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]CH)(H)2{1|C<4>,1|O<2>,5|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.3890	0.000	1	108.3890	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9740	0.000	1	109.0807	0.464	15	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	110.6940	0.000	1	109.0807	0.464	15	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|C<2>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.4310	0.030	3	109.0807	0.464	15	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9010	0.159	3	109.0807	0.464	15	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.4840	0.000	1	109.0807	0.464	15	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0585	0.008	2	109.0807	0.464	15	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.3780	0.000	1	109.0807	0.464	15	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|O<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	107.4450	0.000	1	109.0807	0.464	15	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1810	0.000	1	109.0807	0.464	15	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9410	0.000	1	109.0807	0.464	15	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[6a]O[5]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[6a]O[5]H)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8475	0.090	2	108.8475	0.008	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]CC)(H)2{1|H<1>,1|S<4>,3|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8830	0.000	1	108.8830	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]CH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6050	0.515	2	108.6757	0.147	3	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]CH)(H)2{2|C<3>,2|H<1>,2|O<2>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8170	0.000	1	108.6757	0.147	3	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8065	0.063	2	108.8065	0.004	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|B<4>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8565	0.088	2	109.5898	7.361	65	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0165	0.050	2	109.5898	7.361	65	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0500	0.000	1	109.5898	7.361	65	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	110.5430	0.000	3	109.5898	7.361	65	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0430	1.574	11	109.5898	7.361	65	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.9365	1.783	8	109.5898	7.361	65	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0143	0.432	7	109.5898	7.361	65	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<4>,1|F<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8110	0.000	1	109.5898	7.361	65	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9060	0.000	1	109.5898	7.361	65	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6450	0.000	1	109.5898	7.361	65	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|I<1>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.3330	0.000	1	109.5898	7.361	65	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|I<1>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.9760	0.000	1	109.5898	7.361	65	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9043	0.079	3	109.5898	7.361	65	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{2|C<3>,5|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6810	0.000	1	109.5898	7.361	65	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9710	0.013	2	109.5898	7.361	65	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	112.8738	6.181	8	109.5898	7.361	65	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.1048	1.693	10	109.5898	7.361	65	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{3|H<1>,4|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	110.8995	1.190	2	109.5898	7.361	65	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HO)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8680	0.000	1	108.7983	0.021	7	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HO)(H)2{2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6770	0.000	1	108.7983	0.021	7	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HO)(H)2{3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9325	0.081	2	108.7983	0.021	7	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HO)(H)2{3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7260	0.151	3	108.7983	0.021	7	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|C<3>,1|S<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9090	0.056	4	109.1446	0.280	5	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]CC)(H)2{2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	110.0870	0.000	1	109.1446	0.280	5	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]CH)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	111.0685	2.848	2	111.0685	8.108	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7818	0.097	5	108.9523	0.684	90	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7783	0.180	3	108.9523	0.684	90	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|O<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.4217	1.488	6	108.9523	0.684	90	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	104.0360	0.000	1	108.9523	0.684	90	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1933	1.156	16	108.9523	0.684	90	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.2070	0.000	1	108.9523	0.684	90	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0970	0.000	1	108.9523	0.684	90	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.2075	0.039	2	108.9523	0.684	90	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|S<4>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8347	0.043	3	108.9523	0.684	90	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|I<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9369	0.225	7	108.9523	0.684	90	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9390	0.000	1	108.9523	0.684	90	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8730	0.000	1	108.9523	0.684	90	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,5|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9460	0.000	1	108.9523	0.684	90	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7867	0.582	4	108.9523	0.684	90	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8720	0.000	1	108.9523	0.684	90	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8489	0.291	9	108.9523	0.684	90	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9890	0.093	5	108.9523	0.684	90	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9292	0.250	4	108.9523	0.684	90	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1830	0.065	2	108.9523	0.684	90	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0110	0.018	2	108.9523	0.684	90	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9030	0.000	1	108.9523	0.684	90	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0216	0.065	7	108.9523	0.684	90	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8540	0.008	2	108.9523	0.684	90	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8670	0.055	2	108.9523	0.684	90	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1630	0.000	1	108.9523	0.684	90	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9475	0.011	2	108.9523	0.684	90	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HN)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HN)(H)2{1|H<1>,1|I<1>,1|O<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.6920	0.000	1	108.6920	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0020	0.080	4	108.9652	0.012	5	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8180	0.000	1	108.9652	0.012	5	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]N[5]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]N[5]H)(H)2{1|H<1>,1|I<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7570	0.000	1	108.7570	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[6a]C[5]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[6a]C[5]H)(H)2{1|S<4>,3|C<3>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8105	0.087	2	108.8105	0.008	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[6a]O[5]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[6a]O[5]H)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1560	0.017	2	109.1560	0.000	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]O[5]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]O[5]CH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.2260	0.000	1	109.2260	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]N)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]N)(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1720	0.000	1	109.1720	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]S)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]S)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0535	0.122	2	109.0535	0.015	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6a]O[6])(C[5]C[5]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6a]O[6])(C[5]C[5]CH)(H)2{1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.4813	4.725	4	108.4813	22.322	4	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]N[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]N[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8560	0.000	1	108.9342	0.025	5	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]N[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]N[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8135	0.104	2	108.9342	0.025	5	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]N[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]N[6]C)(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1270	0.000	1	108.9342	0.025	5	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]N[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]N[6]C)(C[5]C[5]HH)(H)2{2|C<3>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0610	0.000	1	108.9342	0.025	5	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]N[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]N[6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0020	0.132	2	109.0640	0.044	4	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]N[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]N[6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1260	0.317	2	109.0640	0.044	4	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]O[5,6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]O[5,6]H)(C[5]C[5,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1450	0.000	1	109.1450	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]O[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]O[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9010	0.000	1	109.1457	0.289	4	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]O[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]O[6]H)(C[5]C[5]HH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.9500	0.000	1	109.1457	0.289	4	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]O[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]O[6]H)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8660	0.068	2	109.1457	0.289	4	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5a,6]C[5,6]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5a,6]C[5,6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8750	0.000	1	108.8750	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5a,6]N[5,6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5a,6]N[5,6]C)(C[5]C[5]HH)(H)2{1|O<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8620	0.000	1	108.8620	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[6,6a]O[5,6]H)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[6,6a]O[5,6]H)(C[5]C[5,6]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1693	0.098	3	109.1693	0.010	3	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7480	0.000	1	108.7480	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0940	0.000	1	108.9587	2.392	4	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8560	0.000	1	108.9587	2.392	4	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9425	2.674	2	108.9587	2.392	4	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HO)(H)2{1|O<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.4260	0.000	1	109.4260	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,5,6]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,5,6]CC)(H)2{2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8100	0.000	1	108.8100	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6,6]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6,6]CH)(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0740	0.000	1	109.0740	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.4380	0.000	1	108.4380	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]CC)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]CC)(H)2{2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9160	0.000	1	108.9160	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]CH)(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9500	0.000	1	109.0135	0.008	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]CH)(H)2{2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0770	0.000	1	109.0135	0.008	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C[6a]C)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C[6a]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0940	0.000	1	109.0940	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9560	0.000	1	108.8957	0.008	3	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8655	0.104	2	108.8957	0.008	3	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|N<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1430	0.000	1	108.9308	0.116	6	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0420	0.000	1	108.9308	0.116	6	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9960	0.000	1	108.9308	0.116	6	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1960	0.000	1	108.9308	0.116	6	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9450	0.000	1	108.9308	0.116	6	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{2|O<2>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.2630	0.000	1	108.9308	0.116	6	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]N[5]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]N[5]H)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9500	0.000	1	108.9500	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]CH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]CH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0312	0.051	13	109.0312	0.003	13	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[5a]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[5a]H)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0740	0.000	1	109.0296	0.003	17	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[5a]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[5a]H)(H)2{1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0248	0.042	5	109.0296	0.003	17	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[5a]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[5a]H)(H)2{1|S<2>,2|H<1>,3|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0278	0.064	11	109.0296	0.003	17	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[6a]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[6a]H)(H)2{2|H<1>,4|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.0532	0.085	27	109.0532	0.007	27	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]HO)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]HO)(H)2{1|O<1>,2|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.1410	0.000	1	109.1410	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]N)(C[5]C[5,6]C[5]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]N)(C[5]C[5,6]C[5]H)(H)2{1|C<2>,1|C<3>,1|O<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8780	0.017	2	108.8780	0.000	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]N)(C[5]C[5,6]C[5a]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]N)(C[5]C[5,6]C[5a]H)(H)2{1|C<2>,1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9350	0.000	1	108.9350	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]N)(C[5]C[5,6]C[6a]H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]N)(C[5]C[5,6]C[6a]H)(H)2{1|C<2>,1|O<1>,4|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.8255	0.127	2	108.8255	0.016	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6]HO)(H)2{1|C<3>,1|N<3>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7940	0.000	1	108.7940	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]S)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6]S)(C[5]C[5,6]HH)(H)2{1|H<1>,1|S<2>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.9360	0.000	1	109.9360	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]O[5,6]C[6a]C[6])(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]C[6a]C[6])(C[5]C[5,6]HO)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9175	0.030	2	108.9175	0.001	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]O[5,6]O[6]C)(C[5]C[5,6,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]O[6]C)(C[5]C[5,6,6]HH)(H)2{1|O<2>,2|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	107.2010	0.000	1	107.2010	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]O[5,6]O[6]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]O[6]C)(C[5]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.3660	0.000	1	108.6500	0.161	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]O[5,6]O[6]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]O[6]C)(C[5]C[5,6]HH)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.9340	0.000	1	108.6500	0.161	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]O[5,6]O[6]C)(C[5]C[5,6]HO)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]O[6]C)(C[5]C[5,6]HO)(H)2{3|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7880	0.000	1	108.7880	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]O[5,6]O[6]H)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]O[5,6]O[6]H)(C[5]C[5,5,6]HH)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	109.5770	0.000	1	109.5770	0.000	1	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]P[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]P[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|S<1>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	105.3215	0.614	2	105.3215	0.378	2	108.8655	1.661	2219	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:N[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6,6]C[6]H)(N[5,6]C[5,3x6]C[6]H)(H)2	H(C[5]C[5,6]N[5,6]H)	H(C[5]C[5,6]N[5,6]H)	C[5](C[5,6]C[5,5,6,6]C[6]H)(N[5,6]C[5,3x6]C[6]H)(H)2{1|C<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[5]C[5,6]N[5,6]H)	H(C[5]C[5,6]N[5,6]H)	108.7810	0.000	1	108.7810	0.000	1	108.7810	0.000	1	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6,6]O[6]O)(N[5]C[5,6]CH)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6,6]O[6]O)(N[5]C[5,6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	110.6470	0.000	1	110.6470	0.000	1	109.3430	0.480	6	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]CC)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]CC)(H)2{3|C<4>,4|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	109.4640	0.000	1	109.4640	0.000	1	109.3430	0.480	6	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]N[5,6]H)(N[5]C[5]HH)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6]N[5,6]H)(N[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|O<2>,3|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	109.3180	0.000	1	109.3180	0.000	1	109.3430	0.480	6	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]HH)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	108.7500	0.000	1	108.7500	0.000	1	109.3430	0.480	6	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(N[5]C[5]AlC)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]N[5,6]C[6]H)(N[5]C[5]AlC)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	108.9395	0.095	2	108.9395	0.009	2	109.3430	0.480	6	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:P[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(P[5]C[6a]2C[5])(H)2	H(C[5]C[5,6]P[5]H)	H(C[5]C[5,6]P[5]H)	C[5](C[5,6]C[5,6]C[6]H)(P[5]C[6a]2C[5])(H)2{1|B<4>,3|H<1>,6|C<3>}	H(C[5]C[5,6]P[5]H)	H(C[5]C[5,6]P[5]H)	108.9970	0.000	1	108.9970	0.000	1	109.1155	1.486	4	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:P[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(P[5]C[6a]C[5]O)(H)2	H(C[5]C[5,6]P[5]H)	H(C[5]C[5,6]P[5]H)	C[5](C[5,6]C[5,6]C[6]H)(P[5]C[6a]C[5]O)(H)2{1|C<4>,3|C<3>,5|H<1>}	H(C[5]C[5,6]P[5]H)	H(C[5]C[5,6]P[5]H)	109.9760	0.629	2	109.9760	0.396	2	109.1155	1.486	4	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:P[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6a]C[6]2)(P[5]C[5,6a]C[6a]B)(H)2	H(C[5]C[5,6]P[5]H)	H(C[5]C[5,6]P[5]H)	C[5](C[5,6]C[5,6a]C[6]2)(P[5]C[5,6a]C[6a]B)(H)2{2|O<2>,6|C<3>}	H(C[5]C[5,6]P[5]H)	H(C[5]C[5,6]P[5]H)	107.5130	0.000	1	107.5130	0.000	1	109.1155	1.486	4	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]N[6]C)(S[5]C[5]OO)(H)2	H(C[5]C[5,6]S[5]H)	H(C[5]C[5,6]S[5]H)	C[5](C[5,6]N[5,6]N[6]C)(S[5]C[5]OO)(H)2{1|C<3>,1|N<2>,2|H<1>}	H(C[5]C[5,6]S[5]H)	H(C[5]C[5,6]S[5]H)	109.2610	0.000	1	109.0500	0.089	2	109.0500	0.089	2	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]N[6]C)(S[5]C[5]OO)(H)2	H(C[5]C[5,6]S[5]H)	H(C[5]C[5,6]S[5]H)	C[5](C[5,6]N[5,6]N[6]C)(S[5]C[5]OO)(H)2{1|C<3>,1|N<2>,3|H<1>}	H(C[5]C[5,6]S[5]H)	H(C[5]C[5,6]S[5]H)	108.8390	0.000	1	109.0500	0.089	2	109.0500	0.089	2	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:Si[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6a]C[6])(Si[5]C[5]Si2)(H)2	H(C[5]C[5,6]Si[5]H)	H(C[5]C[5,6]Si[5]H)	C[5](C[5,6]C[5,6]C[6a]C[6])(Si[5]C[5]Si2)(H)2{1|N<3>,1|O<1>,4|C<3>}	H(C[5]C[5,6]Si[5]H)	H(C[5]C[5,6]Si[5]H)	108.6910	0.000	1	108.6910	0.000	1	108.6910	0.000	1	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5,5]C[5]3)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5]C[5,5]HH)(C[5,5]C[5]3)(H)2{1|N<3>,1|O<1>,3|H<1>,4|C<3>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	108.5940	0.000	1	108.5940	0.000	1	108.8390	0.120	2	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5,5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(C[5,5]C[5]3)(H)2	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	C[5](C[5]C[6a]N[5]C)(C[5,5]C[5]3)(H)2{1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]H)	109.0840	0.000	1	109.0840	0.000	1	108.8390	0.120	2	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3,3,6]N[5]C)(C[5,6]C[5,6]2H)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5]C[3,3,6]N[5]C)(C[5,6]C[5,6]2H)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<2>,2|O<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	108.7550	0.000	2	108.7550	0.000	2	109.4843	1.596	3	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5,6]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(C[5,6]C[5,6]2C)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5]C[5,6]C[6a]H)(C[5,6]C[5,6]2C)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	110.9430	0.000	1	110.9430	0.000	1	109.4843	1.596	3	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]B[5,5]CH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]B[5,5]CH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.3870	0.000	1	108.3870	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]B[5,5]O[5]H)(C[5]C[5]BrH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]B[5,5]O[5]H)(C[5]C[5]BrH)(H)2{1|C<3>,1|H<1>,1|N<4>,2|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.3220	0.058	3	109.3220	0.003	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]B[5,6,6]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]B[5,6,6]HH)(C[5]N[5]HH)(H)2{4|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	105.7990	0.000	1	105.7990	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]B[5]BH)(C[5]C[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]B[5]BH)(C[5]C[5]CH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6260	0.000	1	108.6260	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]B[5]BH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]B[5]BH)(C[5]C[5]HH)(H)2{1|N<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.3750	0.000	1	108.3750	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]B[5]CH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]B[5]CH)(C[5]N[5]HH)(H)2{2|H<1>,2|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.3615	1.528	2	109.3615	2.335	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]B[5]CH)(C[5]O[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]B[5]CH)(C[5]O[5]CC)(H)2{2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1230	0.000	1	109.1230	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]B[5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]B[5]HH)(C[5]C[5]HH)(H)2{1|B<4>,1|H<1>,1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7340	0.000	1	108.7340	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]B[5]HH)(C[5]C[5]HP)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]B[5]HH)(C[5]C[5]HP)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6350	0.000	1	108.6350	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]B[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]B[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7570	0.000	1	108.7570	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]B[5]HH)(C[5]P[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]B[5]HH)(C[5]P[5]HH)(H)2{1|C<4>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4520	0.000	1	108.3455	0.023	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]B[5]HH)(C[5]P[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]B[5]HH)(C[5]P[5]HH)(H)2{2|C<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.2390	0.000	1	108.3455	0.023	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]B[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]B[5]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,2|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	111.9760	0.000	1	111.9760	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3,3,4,4,3x5,10x6]HH)(C[5]C[3,4,4,5,4x6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3,3,4,4,3x5,10x6]HH)(C[5]C[3,4,4,5,4x6]HH)(H)2{5|B<6>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.3770	0.000	1	109.3770	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3,3x5,3x6]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3,3x5,3x6]HH)2(H)2{1|Ni<7>,4|B<6>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9400	0.000	1	108.6425	0.177	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3,3x5,3x6]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3,3x5,3x6]HH)2(H)2{2|B<5>,2|B<6>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.3450	0.000	1	108.6425	0.177	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3,4,5,3x6]HH)(C[5]C[4,4,5,4x6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3,4,5,3x6]HH)(C[5]C[4,4,5,4x6]HH)(H)2{1|Ni<8>,2|B<5>,2|B<6>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8850	0.000	1	108.8850	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3,4,5,3x6]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3,4,5,3x6]HH)2(H)2{1|B<5>,3|B<6>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0470	0.000	1	108.8907	0.013	4	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3,4,5,3x6]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3,4,5,3x6]HH)2(H)2{1|Co<11>,4|B<6>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8185	0.050	2	108.8907	0.013	4	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3,4,5,3x6]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3,4,5,3x6]HH)2(H)2{1|Ru<12>,4|B<6>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8790	0.000	1	108.8907	0.013	4	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3,5,5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5,5]HH)2(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.3070	0.144	2	108.3070	0.021	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3,5,6,6]CH)(C[5]C[3,5,6]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5,6,6]CH)(C[5]C[3,5,6]HO)(H)2{3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8550	0.000	1	108.8550	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3,5,6]CC)(C[5]C[5,6]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5,6]CC)(C[5]C[5,6]CC)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.3510	0.000	1	108.3510	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3,5,6]CO)(C[5]C[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5,6]CO)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4090	0.000	1	108.4090	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3,5,6]C[5]H)(C[5]C[3,5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5,6]C[5]H)(C[5]C[3,5,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0080	0.000	1	109.0080	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3,5,6]HH)(C[5]C[3,5,6]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5,6]HH)(C[5]C[3,5,6]HO)(H)2{1|O<2>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7280	0.000	1	108.7280	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3,5,6]HH)(C[5]C[3,5]CO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5,6]HH)(C[5]C[3,5]CO)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.5670	0.123	3	109.5670	0.015	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3,5,6]HH)(C[5]C[3,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5,6]HH)(C[5]C[3,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	110.0970	0.000	1	110.0970	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3,5,6]HH)(C[5]C[3,5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5,6]HH)(C[5]C[3,5]HO)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8720	0.000	1	108.8720	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3,5,6]HH)(C[5]C[5,6]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5,6]HH)(C[5]C[5,6]CH)(H)2{1|C<3>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9030	0.000	1	108.9030	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3,5,6]HH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5,6]HH)(C[5]C[5,6]HH)(H)2{2|C<4>,2|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1350	0.000	1	109.1350	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3,5,6]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5,6]HH)2(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.3360	0.386	2	108.5093	0.165	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3,5,6]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5,6]HH)2(H)2{1|O<2>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8560	0.000	1	108.5093	0.165	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3,5,6]HO)(C[5]C[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5,6]HO)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0505	0.146	2	109.0505	0.021	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3,5]CC)(C[5]C[3,5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5]CC)(C[5]C[3,5]CH)(H)2{1|C<3>,1|H<1>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7730	0.000	1	108.7730	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3,5]CC)(C[5]C[3,5]CO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5]CC)(C[5]C[3,5]CO)(H)2{1|C<3>,1|H<1>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.0840	0.000	1	108.0840	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3,5]CC)(C[5]N[3,5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5]CC)(C[5]N[3,5]CC)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.2580	0.028	2	108.2610	0.000	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3,5]CC)(C[5]N[3,5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5]CC)(C[5]N[3,5]CC)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.2670	0.000	1	108.2610	0.000	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6450	0.341	2	108.6662	0.031	12	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(H)2{1|O<2>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6704	0.158	10	108.6662	0.031	12	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3,5]CH)(C[5]C[3,5]HN)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5]CH)(C[5]C[3,5]HN)(H)2{1|O<2>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.8370	0.000	1	109.8370	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3,5]CH)(C[5]C[3,5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5]CH)(C[5]C[3,5]HO)(H)2{1|O<2>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6640	0.000	1	108.6640	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3,5]CN)(C[5]C[3,5]FH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5]CN)(C[5]C[3,5]FH)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8280	0.000	1	108.8280	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3,5]CO)(C[5]C[3,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5]CO)(C[5]C[3,5]HH)(H)2{1|O<2>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6855	0.245	2	108.6855	0.060	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3,5]C[6a]C)(C[5]C[3,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5]C[6a]C)(C[5]C[3,5]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	111.2900	3.618	2	111.2900	13.087	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3,5]HH)(C[5]C[3,5]HN)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5]HH)(C[5]C[3,5]HN)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7890	0.137	4	109.4150	1.045	9	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3,5]HH)(C[5]C[3,5]HN)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5]HH)(C[5]C[3,5]HN)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.4810	0.025	2	109.4150	1.045	9	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3,5]HH)(C[5]C[3,5]HN)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5]HH)(C[5]C[3,5]HN)(H)2{1|O<2>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	110.2057	1.557	3	109.4150	1.045	9	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3,5]HH)(C[5]C[5]CO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5]HH)(C[5]C[5]CO)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7840	0.000	1	108.7840	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5]HH)(C[5]C[5]HH)(H)2{1|O<2>,1|P<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9850	0.160	4	109.0078	0.017	6	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5]HH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0535	0.046	2	109.0078	0.017	6	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3,5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5]HH)2(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	104.6380	1.430	2	104.1907	1.622	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3,5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5]HH)2(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	103.2960	0.000	1	104.1907	1.622	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3,5]HN)(C[5]C[3,5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5]HN)(C[5]C[3,5]HO)(H)2{1|O<2>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	110.2340	0.000	1	110.2340	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3,5]N[5a]H)(C[5]C[3,5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3,5]N[5a]H)(C[5]C[3,5]HO)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7870	0.000	1	108.7870	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3]C[5]O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3]C[5]O)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0590	0.060	3	109.0590	0.004	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3]N[5]O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3]N[5]O)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7690	0.000	1	108.7690	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3]O[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3]O[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0770	0.000	1	109.0770	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3]O[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3]O[5]H)(C[5]C[5]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0780	0.000	1	109.0780	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3]O[5]O)(C[5]C[5]2H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3]O[5]O)(C[5]C[5]2H)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0750	0.000	1	109.0750	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3x3,3x5,11x6]HH)(C[5]C[3x3,5,5,8x6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3x3,3x5,11x6]HH)(C[5]C[3x3,5,5,8x6]HH)(H)2{1|B<7>,2|B<5>,2|B<6>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7570	0.000	1	108.7570	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3x3,3x5,4x6]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3x3,3x5,4x6]HH)2(H)2{5|B<6>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5210	0.000	1	108.5210	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3x3,4x5,12x6]HH)(C[5]C[5x3,4x5,11x6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3x3,4x5,12x6]HH)(C[5]C[5x3,4x5,11x6]HH)(H)2{1|Ir<9>,5|B<6>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5195	0.011	2	108.5195	0.000	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3x3,4x5,5x6]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3x3,4x5,5x6]HH)2(H)2{5|B<6>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.3650	0.000	1	108.3650	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3x3,5x5,13x6]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3x3,5x5,13x6]HH)2(H)2{5|B<6>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6700	0.000	1	108.6700	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3x5,6]CH)(C[5]C[3x5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3x5,6]CH)(C[5]C[3x5,6]HH)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9290	0.000	1	108.9290	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3x5,6]CH)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3x5,6]CH)(C[5]C[5,5,6]HH)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.3335	0.327	2	109.3335	0.107	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3x5,6]CO)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3x5,6]CO)(C[5]C[5,5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4820	0.197	2	108.4820	0.039	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3x5,6]HH)(C[5]C[3x5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3x5,6]HH)(C[5]C[3x5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.3830	0.000	1	108.3830	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.3985	0.033	2	108.7022	0.248	5	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.5700	0.000	1	108.7022	0.248	5	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6740	0.000	1	108.7022	0.248	5	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4700	0.000	1	108.7022	0.248	5	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3x5,6]HH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3x5,6]HH)(C[5]C[5,5]HH)(H)2{1|N<2>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5510	0.000	1	108.5510	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3x5,6]HH)(C[5]N[5,5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3x5,6]HH)(C[5]N[5,5,6]HH)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5750	0.085	2	108.5750	0.007	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3x5]CC)(C[5]N[5,5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3x5]CC)(C[5]N[5,5]CH)(H)2{1|O<2>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9100	0.000	1	108.9100	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3x5]CH)(C[5]C[3x5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3x5]CH)(C[5]C[3x5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0280	0.000	1	109.8980	1.514	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3x5]CH)(C[5]C[3x5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3x5]CH)(C[5]C[3x5]HH)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	110.7680	0.000	1	109.8980	1.514	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3x5]CH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3x5]CH)(C[5]C[5,5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0180	0.000	1	109.1630	0.042	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3x5]CH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3x5]CH)(C[5]C[5,5]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.3080	0.000	1	109.1630	0.042	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3x5]CH)(C[5]C[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3x5]CH)(C[5]C[5]CC)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8360	0.129	2	108.8360	0.017	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3x5]HH)(C[5]C[3x5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3x5]HH)(C[5]C[3x5]HO)(H)2{2|C<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9730	0.000	1	108.9730	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(H)2{1|C<2>,1|N<3>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1450	0.000	1	109.8076	6.288	5	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.6210	0.000	1	109.8076	6.288	5	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0630	0.011	2	109.8076	6.288	5	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(H)2{4|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	114.1460	0.000	1	109.8076	6.288	5	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	106.4630	0.000	1	107.7160	3.140	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HO)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9690	0.000	1	107.7160	3.140	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3x5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3x5]HH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1100	0.028	3	109.1100	0.001	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3x5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3x5]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7200	0.000	1	108.7200	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3x5]HH)(C[5]O[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3x5]HH)(C[5]O[5]HO)(H)2{2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	110.1840	0.000	1	110.1840	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3x5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3x5]HH)2(H)2{1|C<3>,3|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7680	0.000	1	108.4717	0.521	7	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3x5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3x5]HH)2(H)2{4|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1620	0.000	1	108.4717	0.521	7	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3x5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[3x5]HH)2(H)2{4|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.2744	0.769	5	108.4717	0.521	7	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[4,4,5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[4,4,5]HH)2(H)2{2|C<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	104.9190	0.000	1	104.9190	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[4,5,5]CH)(C[5]C[4,5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[4,5,5]CH)(C[5]C[4,5,5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8750	0.000	1	108.8750	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[4,5,5]HH)(C[5]C[4,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[4,5,5]HH)(C[5]C[4,5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0650	0.000	1	109.0650	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[4,5,5]HH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[4,5,5]HH)(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0580	0.000	1	109.0580	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[4,5,5]HO)(C[5]C[4,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[4,5,5]HO)(C[5]C[4,5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9540	0.000	1	108.9540	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[4,5,6,6]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[4,5,6,6]HH)2(H)2{2|C<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.3630	0.000	1	108.3630	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[4,5,6]HH)(C[5]C[5,6]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[4,5,6]HH)(C[5]C[5,6]CH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9920	0.203	3	108.9920	0.041	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[4,5,6]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[4,5,6]HH)2(H)2{4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	110.0740	0.810	2	110.0740	0.657	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[4,5,6]HO)(C[5]C[4,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[4,5,6]HO)(C[5]C[4,5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1765	0.100	2	109.1765	0.010	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[4,5]CC)(C[5]C[4,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[4,5]CC)(C[5]C[4,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9680	0.000	1	108.9680	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[4,5]CH)(C[5]C[4,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[4,5]CH)(C[5]C[4,5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8173	0.116	3	108.8418	0.011	4	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[4,5]CH)(C[5]C[4,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[4,5]CH)(C[5]C[4,5]HH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9150	0.000	1	108.8418	0.011	4	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[4,5]CO)(C[5]C[4,5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[4,5]CO)(C[5]C[4,5]HO)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1530	0.000	1	109.1530	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[4,5]HH)(C[5]C[4,5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[4,5]HH)(C[5]C[4,5]HO)(H)2{1|Si<4>,1|C<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2240	0.000	1	109.2240	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[4,5]HH)(C[5]C[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[4,5]HH)(C[5]C[5]CH)(H)2{1|O<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8020	0.000	1	108.8020	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[4,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[4,5]HH)(C[5]C[5]HH)(H)2{1|C<4>,1|O<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8950	0.000	1	108.8950	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[4,5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[4,5]HH)(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9267	0.133	3	108.9267	0.018	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[4,5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[4,5]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	111.5530	0.078	2	109.9586	2.124	5	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[4,5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[4,5]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9590	0.000	1	109.9586	2.124	5	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[4,5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[4,5]HH)2(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8640	0.100	2	109.9586	2.124	5	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[4,5]HO)(C[5]N[4,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[4,5]HO)(C[5]N[4,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6220	0.000	1	108.6220	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[4]C[5]H)(C[5]C[5]HN)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[4]C[5]H)(C[5]C[5]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8870	0.000	1	108.8870	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[4]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[4]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8240	0.106	2	108.8240	0.011	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[4]O[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[4]O[5]C)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8565	0.083	4	108.8565	0.007	4	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[4x5,6]HH)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[4x5,6]HH)(C[5]C[5,5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5630	0.000	1	108.5630	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,3x6]CH)(C[5]C[5,6,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,3x6]CH)(C[5]C[5,6,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4960	0.000	1	108.5505	0.006	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,3x6]CH)(C[5]C[5,6,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,3x6]CH)(C[5]C[5,6,6]HH)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6050	0.000	1	108.5505	0.006	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,3x6]CH)(C[5]C[5,6,6]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,3x6]CH)(C[5]C[5,6,6]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.6200	0.000	1	107.6200	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,3x6]CH)(C[5]N[5,6,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,3x6]CH)(C[5]N[5,6,6]HH)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6450	0.000	1	108.6450	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2550	0.083	2	109.2550	0.007	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4670	0.000	1	108.5200	0.002	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5370	0.000	1	108.5200	0.002	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5560	0.000	1	108.5200	0.002	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1160	0.421	2	109.1160	0.178	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,3x6]HH)(C[5]N[5,6,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,3x6]HH)(C[5]N[5,6,6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.5880	0.000	1	109.0174	0.104	13	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,3x6]HH)(C[5]N[5,6,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,3x6]HH)(C[5]N[5,6,6]HH)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9698	0.286	12	109.0174	0.104	13	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6,6]CH)(C[5]C[5,6,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6,6]CH)(C[5]C[5,6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4410	0.000	1	108.4410	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6,6]HH)(C[5]C[5,6]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6,6]HH)(C[5]C[5,6]CH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7960	0.000	1	108.7960	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6,6]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6,6]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,1|S<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1475	0.039	2	109.1475	0.002	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6,6]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6,6]HH)2(H)2{2|C<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0460	0.000	1	109.0460	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1430	0.091	3	108.8032	1.480	12	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	104.9570	0.000	1	108.8032	1.480	12	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HH)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1565	0.136	8	108.8032	1.480	12	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HO)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9130	0.000	1	108.9130	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9780	0.000	1	109.9194	8.480	8	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	116.2530	0.000	1	109.9194	8.480	8	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0207	1.644	6	109.9194	8.480	8	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.3413	1.441	3	107.4231	1.515	7	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5850	0.000	1	107.4231	1.515	7	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	105.8180	0.000	1	107.4231	1.515	7	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.7675	0.869	2	107.4231	1.515	7	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6940	0.000	1	108.6940	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]CH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]CH)(C[5]N[5,5]HH)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7680	0.000	1	108.7680	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]CH)(C[5]S[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]CH)(C[5]S[5]HH)(H)2{2|C<4>,2|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7030	0.000	1	108.7030	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]HO)(H)2{1|C<3>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0850	0.000	1	109.0163	0.004	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]HO)(H)2{2|C<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9820	0.016	2	109.0163	0.004	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1050	3.060	2	108.8691	0.837	24	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8732	0.192	8	108.8691	0.837	24	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9890	0.000	1	108.8691	0.837	24	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9270	0.000	1	108.8691	0.837	24	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2{1|C<4>,3|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0070	0.000	2	108.8691	0.837	24	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.0175	1.283	4	108.8691	0.837	24	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.3184	0.381	5	108.8691	0.837	24	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0700	0.000	1	108.8691	0.837	24	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]CC)(H)2{1|C<4>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6195	0.009	2	108.6195	0.000	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]CH)(H)2{1|C<3>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5165	0.142	2	108.5165	0.020	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]CO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]CO)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.3410	0.000	1	108.3410	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	110.5110	3.116	5	108.8917	4.408	19	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5590	0.000	1	108.8917	4.408	19	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6678	0.167	6	108.8917	4.408	19	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0790	0.000	1	108.8917	4.408	19	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2{1|O<2>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5320	0.031	2	108.8917	4.408	19	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)2{4|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.4198	2.443	4	108.8917	4.408	19	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]C[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5]CH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7375	0.146	2	108.7375	0.021	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]N[5,5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]N[5,5]CH)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	106.6020	0.000	1	106.6020	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]N[5,5]HH)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9570	0.000	1	108.9570	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8660	0.000	1	108.8660	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)2(H)2{1|C<3>,1|C<4>,2|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6830	0.000	1	108.8430	0.019	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HH)2(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9230	0.000	2	108.8430	0.019	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5,6]HO)(C[5]C[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5,6]HO)(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	103.6900	0.000	1	103.6900	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]BrH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]BrH)(C[5]N[5,5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0820	0.000	1	109.0820	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]BrH)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]BrH)(C[5]O[5]CH)(H)2{1|C<4>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7570	0.000	1	108.7570	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[5]C[5,5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]CH)(H)2{1|C<2>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6690	0.000	1	108.9253	0.025	7	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[5]C[5,5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]CH)(H)2{1|C<3>,1|H<1>,2|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9680	0.122	6	108.9253	0.025	7	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[5]C[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7890	0.000	1	108.1606	2.098	5	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[5]C[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.0035	1.623	4	108.1606	2.098	5	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[5]C[5]HH)(H)2{2|H<1>,2|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9550	0.000	1	108.9550	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[5]N[5,5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[5]N[5,5]CC)(H)2{1|B<3>,1|C<3>,1|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.3430	0.000	1	108.3430	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[5]N[5,5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[5]N[5,5]CH)(H)2{1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9170	0.000	1	108.9170	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[5]N[5,5]HN)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[5]N[5,5]HN)(H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7970	0.000	1	108.7970	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[5]N[5]CC)(H)2{1|O<2>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5260	0.000	1	108.5260	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6678	0.092	6	108.6678	0.008	6	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CC)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[5]O[5]CH)(H)2{2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7100	0.000	1	108.7100	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CC)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)2(H)2{1|Sc<9>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.1470	0.000	1	108.1470	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]CO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]CO)(H)2{1|C<3>,1|S<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0680	0.000	1	109.0680	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	106.8980	0.000	1	108.8022	0.532	9	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8310	0.000	1	108.8022	0.532	9	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1700	0.000	1	108.8022	0.532	9	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2{1|N<2>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0250	0.059	2	108.8022	0.532	9	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0730	0.202	2	108.8022	0.532	9	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8830	0.000	1	108.8022	0.532	9	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)2{2|H<1>,2|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2420	0.000	1	108.8022	0.532	9	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]C[5]CC)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6593	0.069	6	108.6975	0.010	8	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]C[5]CC)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8120	0.100	2	108.6975	0.010	8	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]C[5]CH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6195	0.057	2	108.6195	0.003	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8045	0.257	2	109.1178	0.187	10	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9250	0.122	3	109.1178	0.187	10	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9380	0.000	1	109.1178	0.187	10	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1060	0.126	2	109.1178	0.187	10	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(H)2{2|H<1>,2|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.8220	0.485	2	109.1178	0.187	10	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]N[5,5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]N[5,5]CH)(H)2{1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8980	0.000	1	108.8980	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.7700	0.000	1	108.8628	0.300	5	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.2900	0.000	1	108.8628	0.300	5	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]N[5,5]HH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7980	0.000	1	108.8628	0.300	5	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]N[5,5]HH)(H)2{1|O<2>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6570	0.000	1	108.8628	0.300	5	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]N[5,5]HH)(H)2{3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7990	0.000	1	108.8628	0.300	5	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9410	0.000	1	108.9410	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]O[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]O[5]CC)(H)2{1|C<4>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1240	0.000	1	109.1240	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]O[5]CH)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7350	0.000	1	110.0300	5.776	4	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]O[5]CH)(H)2{2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	110.4617	2.747	3	110.0300	5.776	4	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]O[5]HH)(H)2{1|C<4>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1285	0.101	2	109.1285	0.010	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)2(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2380	0.000	1	109.2380	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CN)(C[5]N[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CN)(C[5]N[5,5]HH)(H)2{1|O<2>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7335	0.052	2	108.7335	0.003	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4280	0.000	1	108.4280	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HN)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HN)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2480	0.000	1	109.2480	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HO)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2330	0.000	1	109.2330	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CO)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CO)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7722	0.087	5	108.7722	0.008	5	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CO)(C[5]C[5]HN)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CO)(C[5]C[5]HN)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7610	0.000	1	108.7610	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CO)(C[5]N[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]CO)(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0100	0.000	1	109.0100	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>,3|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4880	0.025	2	108.4880	0.001	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9960	0.000	1	108.9960	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C[5]N)(C[5]C[5,5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[5]N)(C[5]C[5,5]CH)(H)2{1|Zr<12>,1|C<3>,1|H<1>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.0970	0.000	1	108.0970	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C[5]O)(C[5]N[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[5]O)(C[5]N[5,5]HH)(H)2{1|C<3>,3|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7010	0.000	1	108.7010	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C[5a]H)(C[5]C[6a]N[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[5a]H)(C[5]C[6a]N[5]O)(H)2{1|N<2>,1|S<2>,5|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0710	0.000	1	109.0710	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C[6]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6]H)(C[5]C[5]CH)(H)2{1|H<1>,3|C<4>,3|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5335	0.070	2	108.5335	0.005	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0790	0.013	2	109.0790	0.000	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CO)(H)2{1|S<4>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0080	0.000	1	109.0080	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.3320	0.000	1	109.2080	0.012	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1460	0.028	2	109.2080	0.012	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HN)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HN)(H)2{2|O<2>,4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0030	0.000	1	109.0030	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CC)(H)2{1|H<1>,1|O<2>,4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7730	0.000	1	108.7730	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]C[6a]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]C[6a]H)(H)2{1|H<1>,2|C<4>,5|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.9390	0.000	1	107.9390	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5]HH)(H)2{5|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	104.7470	0.000	1	104.7470	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]O[5]HH)(H)2{1|O<2>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2350	0.000	1	109.2350	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]O[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]O[5]HO)(H)2{1|C<4>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.3090	0.000	1	109.3090	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a]O)(C[5]N[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]O)(C[5]N[5,5]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1030	0.000	1	109.1030	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]Cl2)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]Cl2)(C[5]O[5]HH)(H)2{1|C<3>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.3020	0.000	1	109.3020	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]FH)(C[5]N[5,5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]FH)(C[5]N[5,5]CH)(H)2{1|C<3>,1|N<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4010	0.136	2	108.4010	0.018	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]FH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]FH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|N<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6860	0.000	1	108.6860	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5620	0.000	1	108.8541	0.085	11	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6750	0.000	1	108.8541	0.085	11	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2{1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9795	0.054	2	108.8541	0.085	11	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2{1|Fe<8>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5907	0.049	3	108.8541	0.085	11	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2{1|H<1>,1|S<2>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8340	0.000	1	108.8541	0.085	11	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.4260	0.000	1	108.8541	0.085	11	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(H)2{4|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0835	0.231	2	108.8541	0.085	11	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,6]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,6]CH)(H)2{1|O<2>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9420	0.025	2	108.9420	0.001	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]CC)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7670	0.170	2	108.7670	0.029	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(H)2{1|H<1>,1|N<2>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6870	0.000	1	108.8008	0.036	5	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1160	0.000	1	108.8008	0.036	5	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(H)2{1|O<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6570	0.000	1	108.8008	0.036	5	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(H)2{2|H<1>,2|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7720	0.098	2	108.8008	0.036	5	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6885	0.013	2	108.5685	2.487	95	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9320	0.000	1	108.5685	2.487	95	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4908	0.295	4	108.5685	2.487	95	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	103.0408	9.136	2	108.5685	2.487	95	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6832	2.038	10	108.5685	2.487	95	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7128	0.037	5	108.5685	2.487	95	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0208	0.334	12	108.5685	2.487	95	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7400	0.000	1	108.5685	2.487	95	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7510	0.000	1	108.5685	2.487	95	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6733	0.270	10	108.5685	2.487	95	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6845	0.057	2	108.5685	2.487	95	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7528	0.276	5	108.5685	2.487	95	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6300	0.000	1	108.5685	2.487	95	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7010	0.088	6	108.5685	2.487	95	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.3240	0.221	2	108.5685	2.487	95	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|N<3>,1|S<2>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	105.7970	0.728	2	108.5685	2.487	95	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8200	0.000	1	108.5685	2.487	95	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9990	0.000	1	108.5685	2.487	95	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.3663	0.227	4	108.5685	2.487	95	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7900	0.053	4	108.5685	2.487	95	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{2|C<4>,2|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.4170	2.919	3	108.5685	2.487	95	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{2|H<1>,2|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1596	0.475	14	108.5685	2.487	95	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8210	0.386	2	108.5685	2.487	95	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HO)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7590	0.000	1	108.7590	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CC)(H)2{1|H<1>,1|N<3>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9325	0.125	2	108.9325	0.016	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7951	0.163	10	108.7873	0.079	18	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2{1|C<3>,1|N<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.3617	0.086	3	108.7873	0.079	18	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2{1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7720	0.000	1	108.7873	0.079	18	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2060	0.100	3	108.7873	0.079	18	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(H)2{1|O<2>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7460	0.000	1	108.7873	0.079	18	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|B<4>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6820	0.000	1	108.8414	2.202	167	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4546	1.100	14	108.8414	2.202	167	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	115.4220	0.000	1	108.8414	2.202	167	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|H<1>,1|P<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4950	0.509	2	108.8414	2.202	167	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.2190	0.000	1	108.8414	2.202	167	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|N<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4575	0.153	6	108.8414	2.202	167	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7122	0.188	4	108.8414	2.202	167	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2964	0.849	5	108.8414	2.202	167	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<4>,1|H<1>,1|P<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9573	1.163	28	108.8414	2.202	167	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5060	0.000	1	108.8414	2.202	167	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8310	0.081	3	108.8414	2.202	167	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6630	1.589	82	108.8414	2.202	167	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.3636	0.831	10	108.8414	2.202	167	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|O<2>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0060	0.000	1	108.8414	2.202	167	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|Pd<4>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.4390	0.064	2	108.8414	2.202	167	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{1|Pd<4>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	112.3570	4.347	2	108.8414	2.202	167	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.2145	0.313	2	108.8414	2.202	167	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(H)2{3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9620	0.083	2	108.8414	2.202	167	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5]CH)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8703	0.176	3	108.9790	0.039	5	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5]CH)(H)2{3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1420	0.086	2	108.9790	0.039	5	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7470	0.000	1	108.9620	0.044	22	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2975	0.016	2	108.9620	0.044	22	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7535	0.227	2	108.9620	0.044	22	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|S<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9614	0.184	5	108.9620	0.044	22	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1200	0.042	2	108.9620	0.044	22	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8190	0.000	1	108.9620	0.044	22	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6740	0.000	1	108.9620	0.044	22	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2{1|O<2>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1187	0.074	3	108.9620	0.044	22	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2{1|S<4>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8437	0.170	3	108.9620	0.044	22	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]N[5]HH)(H)2{3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9435	0.179	2	108.9620	0.044	22	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]O[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]O[5]CC)(H)2{1|C<3>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8770	0.000	1	108.9347	0.003	4	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]O[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]O[5]CC)(H)2{1|C<4>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9540	0.050	3	108.9347	0.003	4	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]O[5]CH)(H)2{1|C<3>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0790	0.000	1	109.0727	0.032	6	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]O[5]CH)(H)2{1|C<4>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0012	0.142	4	109.0727	0.032	6	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]O[5]CH)(H)2{2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.3520	0.000	1	109.0727	0.032	6	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]O[5]HH)(H)2{2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9170	0.000	1	108.9170	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]O[5]HN)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]O[5]HN)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.8250	0.000	1	109.8250	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8450	0.327	4	108.6858	1.995	104	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	104.5325	3.013	2	108.6858	1.995	104	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6270	0.266	2	108.6858	1.995	104	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.4000	2.547	2	108.6858	1.995	104	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|C<3>,1|C<4>,2|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7160	0.000	1	108.6858	1.995	104	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5687	0.167	3	108.6858	1.995	104	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2650	0.000	1	108.6858	1.995	104	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	106.4360	1.144	3	108.6858	1.995	104	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|C<3>,1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.2340	0.000	1	108.6858	1.995	104	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8193	0.551	6	108.6858	1.995	104	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|C<4>,1|N<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.1530	0.000	1	108.6858	1.995	104	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|C<4>,1|O<2>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0395	0.148	2	108.6858	1.995	104	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|H<1>,1|N<4>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7110	0.000	1	108.6858	1.995	104	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1910	0.000	1	108.6858	1.995	104	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	110.1250	2.165	2	108.6858	1.995	104	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6860	0.115	2	108.6858	1.995	104	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|N<3>,1|S<2>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.4370	0.000	1	108.6858	1.995	104	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|O<2>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0075	0.032	2	108.6858	1.995	104	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|Rh<8>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4910	0.000	1	108.6858	1.995	104	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|Ru<8>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6420	0.069	2	108.6858	1.995	104	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{1|Se<2>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1510	0.000	1	108.6858	1.995	104	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{2|C<3>,2|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1170	0.046	4	108.6858	1.995	104	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6759	0.176	18	108.6858	1.995	104	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4597	1.140	7	108.6858	1.995	104	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{2|S<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0932	1.950	29	108.6858	1.995	104	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)2(H)2{3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5974	0.200	5	108.6858	1.995	104	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HI)(C[5]N[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HI)(C[5]N[5,5]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.8610	0.000	1	109.5750	0.164	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HI)(C[5]N[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HI)(C[5]N[5,5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2890	0.000	1	109.5750	0.164	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HN)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HN)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0053	0.171	7	109.0053	0.029	7	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HO)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HO)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7030	0.000	1	108.7237	0.001	6	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HO)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HO)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7278	0.040	5	108.7237	0.001	6	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(H)2{1|B<4>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2050	0.000	1	109.4442	0.232	8	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.5455	0.080	2	109.4442	0.232	8	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2910	0.000	1	109.4442	0.232	8	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.4917	0.709	4	109.4442	0.232	8	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HO)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HO)(C[5]O[5]CH)(H)2{1|C<3>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0840	0.000	1	109.0840	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HO)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]HO)2(H)2{1|O<2>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.4560	0.000	1	109.4560	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]N[5a]H)(C[5]C[5,5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5]N[5a]H)(C[5]C[5,5]HO)(H)2{2|C<3>,2|H<1>,2|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8215	0.042	2	108.8215	0.002	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5a]CH)(C[5]N[5,5a]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5a]CH)(C[5]N[5,5a]HH)(H)2{1|C<3>,1|N<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4550	0.000	1	108.4605	0.000	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5a]CH)(C[5]N[5,5a]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5a]CH)(C[5]N[5,5a]HH)(H)2{2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4660	0.000	1	108.4605	0.000	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5a]C[5a]C)(C[5]C[5,5a]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5a]C[5a]C)(C[5]C[5,5a]CC)(H)2{1|N<3>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.2180	1.979	4	107.2180	3.915	4	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]HH)(H)2{1|N<3>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5530	0.000	1	108.5530	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]HN)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]HN)(H)2{1|C<3>,1|S<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4800	0.000	1	108.4800	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(H)2{1|C<3>,1|N<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5194	0.195	10	108.5113	0.035	18	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(H)2{2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5012	0.187	8	108.5113	0.035	18	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5a]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5a]HH)2(H)2{1|C<3>,1|N<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.3930	0.000	1	108.7000	0.377	6	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5a]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5a]HH)2(H)2{1|C<3>,1|S<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7695	0.768	4	108.7000	0.377	6	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5a]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,5a]HH)2(H)2{2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7290	0.000	1	108.7000	0.377	6	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1330	0.000	1	109.1330	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6410	0.000	1	108.6410	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6]HO)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1675	0.006	2	108.8315	0.153	4	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6]HO)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4955	0.090	2	108.8315	0.153	4	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6,6]CH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]CH)2(H)2{4|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.4590	0.000	1	109.4590	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6,6]C[6a]H)(C[5]N[5,3x6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]C[6a]H)(C[5]N[5,3x6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8340	0.000	1	108.8340	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6]HH)(H)2{1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8610	0.000	1	108.8617	0.021	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8620	0.206	2	108.8617	0.021	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]HH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6265	0.057	4	108.6265	0.003	4	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6,6]HH)(C[5]N[5,6]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]HH)(C[5]N[5,6]CH)(H)2{3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7780	0.000	1	108.7780	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6,6]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]HH)2(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5663	0.071	6	108.6936	0.059	8	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6,6]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]HH)2(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0755	0.005	2	108.6936	0.059	8	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6,6]HO)(C[5]C[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]HO)(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.4680	0.000	1	109.0750	0.309	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6,6]HO)(C[5]C[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]HO)(C[5]C[5,6]HH)(H)2{4|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6820	0.000	1	109.0750	0.309	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6,6]O[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6,6]O[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2790	0.000	1	109.2790	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(H)2{1|C<4>,1|N<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5010	0.000	1	108.6019	0.025	9	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4620	0.000	1	108.6019	0.025	9	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8545	0.088	2	108.6019	0.025	9	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6320	0.000	1	108.6019	0.025	9	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5073	0.056	3	108.6019	0.025	9	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(H)2{2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5910	0.000	1	108.6019	0.025	9	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CC)(C[5]N[5,6]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CC)(C[5]N[5,6]CC)(H)2{1|Si<3>,1|C<3>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.3440	0.000	1	108.3535	0.000	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CC)(C[5]N[5,6]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CC)(C[5]N[5,6]CC)(H)2{2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.3630	0.000	1	108.3535	0.000	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CC)(C[5]N[5,6]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CC)(C[5]N[5,6]CH)(H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8910	0.000	1	108.8910	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CC)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CC)2(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.1820	0.106	2	108.2744	0.013	7	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CC)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CC)2(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4860	0.000	1	108.2744	0.013	7	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CC)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CC)2(H)2{2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.2678	0.042	4	108.2744	0.013	7	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]FH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]FH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6248	0.080	4	108.6248	0.006	4	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.3280	0.229	2	108.4396	1.943	359	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8480	0.330	7	108.4396	1.943	359	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1575	0.009	2	108.4396	1.943	359	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4109	1.007	27	108.4396	1.943	359	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.2448	2.842	5	108.4396	1.943	359	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5875	0.067	2	108.4396	1.943	359	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.5989	1.925	7	108.4396	1.943	359	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<3>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6284	0.313	18	108.4396	1.943	359	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6615	0.049	2	108.4396	1.943	359	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<4>,1|N<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.3040	0.000	1	108.4396	1.943	359	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.0735	0.729	2	108.4396	1.943	359	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8840	0.016	2	108.4396	1.943	359	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7935	0.255	4	108.4396	1.943	359	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4624	1.457	247	108.4396	1.943	359	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6153	0.395	4	108.4396	1.943	359	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{2|C<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5560	0.023	2	108.4396	1.943	359	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{2|C<3>,2|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4840	0.000	1	108.4396	1.943	359	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7190	0.000	1	108.4396	1.943	359	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.0001	2.528	11	108.4396	1.943	359	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{2|C<4>,2|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0320	0.000	1	108.4396	1.943	359	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(H)2{4|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.2889	0.666	11	108.4396	1.943	359	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1970	0.000	1	108.7340	0.429	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(H)2{4|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.2710	0.000	1	108.7340	0.429	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5]CC)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7585	0.054	2	108.7585	0.003	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6905	0.062	2	108.8240	0.029	5	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|N<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8920	0.000	1	108.8240	0.029	5	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0840	0.000	1	108.8240	0.029	5	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5]HH)(H)2{2|C<4>,2|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7630	0.000	1	108.8240	0.029	5	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]N[5,6]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]N[5,6]CH)(H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8130	0.000	1	108.8130	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9565	0.114	2	108.8884	0.035	10	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2340	0.000	1	108.8884	0.035	10	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8455	0.078	2	108.8884	0.035	10	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2{1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1290	0.000	1	108.8884	0.035	10	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2{1|C<4>,1|N<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7350	0.000	1	108.8884	0.035	10	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2{1|C<4>,1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7990	0.000	1	108.8884	0.035	10	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7040	0.000	1	108.8884	0.035	10	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6790	0.000	1	108.8884	0.035	10	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]O[5]CH)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	106.7740	3.879	2	107.5150	9.171	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]O[5]CH)(H)2{1|C<4>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9970	0.000	1	107.5150	9.171	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)2(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.3930	0.068	2	108.3930	0.005	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5614	0.067	7	108.5646	1.408	103	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{1|C<3>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.3100	0.000	1	108.5646	1.408	103	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8820	0.000	1	108.5646	1.408	103	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5530	1.280	88	108.5646	1.408	103	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8160	0.437	4	108.5646	1.408	103	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5535	0.252	2	108.5646	1.408	103	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]C[3]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[3]H)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.4370	0.000	1	109.4370	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]C[3]O)(C[5]C[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[3]O)(C[5]C[5,6]HH)(H)2{1|S<2>,2|H<1>,4|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5800	0.000	1	108.5800	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]C[5]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[5]C)(C[5]C[5,6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6030	0.000	1	108.6030	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6305	0.046	4	108.6805	0.026	39	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6485	0.087	2	108.6805	0.026	39	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<2>,4|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7590	0.287	9	108.6805	0.026	39	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<2>,5|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4640	0.000	1	108.6805	0.026	39	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7870	0.000	1	108.6805	0.026	39	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6708	0.095	18	108.6805	0.026	39	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7100	0.000	1	108.6805	0.026	39	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6390	0.107	2	108.6805	0.026	39	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(H)2{3|C<3>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5770	0.000	1	108.6805	0.026	39	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]HO)(H)2{2|C<4>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5560	0.000	1	108.5560	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4940	0.000	1	108.5700	0.005	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|H<1>,6|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5770	0.000	1	108.5700	0.005	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{2|H<1>,5|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6390	0.000	1	108.5700	0.005	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CO)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5910	0.008	2	108.5910	0.000	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0220	0.502	2	108.8957	0.199	6	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2{1|N<3>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.3890	0.000	1	108.8957	0.199	6	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9790	0.656	2	108.8957	0.199	6	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2{1|O<2>,2|C<4>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9830	0.000	1	108.8957	0.199	6	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6440	0.000	1	108.6440	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]C[6a]H)(C[5]O[5]HH)(H)2{2|C<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	106.7350	0.000	1	106.7350	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HI)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HI)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8007	0.074	3	108.8007	0.005	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HN)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HN)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7630	0.024	2	108.7630	0.001	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9205	0.173	2	108.5042	2.818	85	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7740	0.000	1	108.5042	2.818	85	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5950	0.000	1	108.5042	2.818	85	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5651	0.276	7	108.5042	2.818	85	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|C<3>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4520	0.000	1	108.5042	2.818	85	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5229	1.808	69	108.5042	2.818	85	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.3977	2.180	3	108.5042	2.818	85	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(H)2{2|C<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9650	0.000	1	108.5042	2.818	85	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]CC)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6890	0.000	1	108.6890	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2470	0.000	1	108.9597	0.062	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]CH)(H)2{1|C<3>,1|C<4>,2|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8100	0.000	1	108.9597	0.062	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]CH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8220	0.000	1	108.9597	0.062	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]CS)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]CS)(H)2{1|O<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9440	0.027	2	108.9440	0.001	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8295	0.152	8	108.7252	1.369	62	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4300	0.753	3	108.7252	1.369	62	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7476	0.341	5	108.7252	1.369	62	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4657	0.130	3	108.7252	1.369	62	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.9724	0.681	5	108.7252	1.369	62	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9180	0.000	1	108.7252	1.369	62	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7137	0.167	3	108.7252	1.369	62	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8865	0.022	2	108.7252	1.369	62	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8407	0.292	3	108.7252	1.369	62	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7630	0.315	2	108.7252	1.369	62	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9686	0.085	5	108.7252	1.369	62	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6284	0.433	5	108.7252	1.369	62	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2090	3.483	7	108.7252	1.369	62	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{2|H<1>,2|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7311	0.211	8	108.7252	1.369	62	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(H)2{2|H<1>,2|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4310	0.093	2	108.7252	1.369	62	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8680	0.070	4	108.8680	0.005	4	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0606	0.275	7	109.1783	0.249	10	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	110.3060	0.000	1	109.1783	0.249	10	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.4580	0.000	1	109.1783	0.249	10	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5950	0.000	1	109.1783	0.249	10	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8982	0.256	30	109.0105	2.634	99	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8495	0.139	2	109.0105	2.634	99	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6250	0.000	1	109.0105	2.634	99	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8835	0.043	2	109.0105	2.634	99	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,1|N<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6520	0.000	1	109.0105	2.634	99	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1937	0.366	7	109.0105	2.634	99	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9030	0.000	1	109.0105	2.634	99	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5120	0.000	1	109.0105	2.634	99	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<4>,1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1936	0.889	5	109.0105	2.634	99	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7610	0.150	5	109.0105	2.634	99	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7389	0.414	20	109.0105	2.634	99	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.5581	3.549	20	109.0105	2.634	99	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5430	0.000	1	109.0105	2.634	99	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{1|S<2>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9960	0.000	1	109.0105	2.634	99	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6635	0.050	2	109.0105	2.634	99	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5]CH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9800	0.000	1	108.9580	0.001	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5]CH)(H)2{3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9360	0.000	1	108.9580	0.001	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9111	1.098	14	108.9343	0.879	19	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9110	0.000	1	108.9343	0.879	19	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5]HH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7360	0.000	1	108.9343	0.879	19	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5]HH)(H)2{1|S<4>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0740	0.000	1	108.9343	0.879	19	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5]HH)(H)2{3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0500	0.000	1	108.9343	0.879	19	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5]HH)(H)2{3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2240	0.000	1	108.9343	0.879	19	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]O[5]CH)(H)2{1|C<4>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.2170	1.379	2	108.2170	1.901	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]O[5]CO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]O[5]CO)(H)2{2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0260	0.000	1	109.0260	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]O[5]HH)(H)2{1|C<3>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0050	0.000	1	108.4829	1.517	14	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]O[5]HH)(H)2{1|C<4>,1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9553	0.271	8	108.4829	1.517	14	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]O[5]HH)(H)2{1|C<4>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.5160	2.099	4	108.4829	1.517	14	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]O[5]HH)(H)2{2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.0490	0.000	1	108.4829	1.517	14	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]P[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]P[5,6]HH)(H)2{1|H<1>,1|S<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.4550	2.731	2	107.4550	7.458	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|B<3>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9960	0.000	1	108.9184	5.240	67	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|C<2>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8670	0.064	2	108.9184	5.240	67	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5500	0.000	1	108.9184	5.240	67	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8825	0.138	2	108.9184	5.240	67	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|C<4>,1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9400	0.000	1	108.9184	5.240	67	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|C<4>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9030	0.000	1	108.9184	5.240	67	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5923	0.344	4	108.9184	5.240	67	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.3050	0.000	1	108.9184	5.240	67	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|H<1>,1|N<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8950	0.000	1	108.9184	5.240	67	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7240	0.000	1	108.9184	5.240	67	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6200	0.129	3	108.9184	5.240	67	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7725	0.039	2	108.9184	5.240	67	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0445	0.648	2	108.9184	5.240	67	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|C<3>,1|O<2>,2|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5220	0.000	1	108.9184	5.240	67	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	114.0410	0.000	1	108.9184	5.240	67	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6020	0.007	2	108.9184	5.240	67	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7600	0.000	1	108.9184	5.240	67	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5660	0.000	1	108.9184	5.240	67	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|H<1>,1|N<4>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	114.2000	0.000	1	108.9184	5.240	67	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5820	0.000	1	108.9184	5.240	67	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	100.3520	0.000	1	108.9184	5.240	67	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.9063	2.333	3	108.9184	5.240	67	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6150	0.000	1	108.9184	5.240	67	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|N<3>,1|S<2>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6570	0.000	1	108.9184	5.240	67	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{1|Ru<9>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6902	0.161	5	108.9184	5.240	67	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{2|C<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5965	0.013	2	108.9184	5.240	67	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6593	0.159	15	108.9184	5.240	67	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.8847	1.043	6	108.9184	5.240	67	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{2|C<4>,2|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5720	0.000	1	108.9184	5.240	67	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6130	0.000	1	108.9184	5.240	67	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(H)2{2|Cr<11>,2|B<5>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	122.6150	0.000	1	108.9184	5.240	67	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HO)(C[5]C[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HO)(C[5]C[5]CH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7100	0.000	1	108.7100	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HO)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HO)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7303	0.184	3	108.7210	0.023	4	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HO)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HO)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6930	0.000	1	108.7210	0.023	4	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HO)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HO)(C[5]C[5]HO)(H)2{1|C<3>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.3680	0.000	1	108.3680	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HO)(C[5]C[5]OO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HO)(C[5]C[5]OO)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6700	0.000	1	108.6700	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HO)(C[5]N[5,6]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0180	0.000	1	108.8100	0.033	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HO)(C[5]N[5,6]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]CH)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7060	0.025	2	108.8100	0.033	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9215	0.084	2	107.5971	6.358	7	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(H)2{1|C<4>,1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.3360	0.000	1	107.5971	6.358	7	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5130	0.158	2	107.5971	6.358	7	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	102.0260	0.000	1	107.5971	6.358	7	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(H)2{1|S<2>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9490	0.000	1	107.5971	6.358	7	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HP)(C[5]N[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HP)(C[5]N[5,6]HH)(H)2{1|C<4>,1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8530	0.000	1	108.8530	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HS)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]HS)(C[5]O[5]CH)(H)2{1|C<3>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.3420	0.000	1	109.3420	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7720	0.068	2	108.7720	0.005	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]O[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]O[5]H)(C[5]C[5,5]HH)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0700	0.000	1	109.0700	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]SiH)(C[5]C[5,6]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6]SiH)(C[5]C[5,6]CH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6370	0.000	1	108.6370	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]BrH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]BrH)2(H)2{2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6607	0.044	3	108.6607	0.002	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HH)(H)2{2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5900	0.020	2	108.5900	0.000	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HP)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HP)(H)2{2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6100	0.000	1	108.6100	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]CC)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]CC)2(H)2{2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.2686	0.144	59	108.2686	0.021	59	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(H)2{2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6213	0.127	4	108.6213	0.016	4	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HO)(H)2{2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8340	0.000	1	108.8340	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]CH)(C[5]N[5,6a]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]CH)(C[5]N[5,6a]HH)(H)2{1|C<3>,1|N<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5490	0.055	2	108.5490	0.003	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]CH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]CH)2(H)2{2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5410	0.000	1	108.5410	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]HH)(H)2{2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7750	0.318	3	108.7750	0.101	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]HO)(H)2{2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5390	0.000	1	108.5390	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6852	0.257	4	108.6935	0.047	6	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8470	0.000	1	108.6935	0.047	6	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H)2{1|C<4>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5730	0.000	1	108.6935	0.047	6	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]C[5]O)(C[5]N[5,6a]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[5]O)(C[5]N[5,6a]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0460	0.000	1	109.0460	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]C[6]C)(C[5]C[5,6a]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[6]C)(C[5]C[5,6a]HH)(H)2{1|H<1>,4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5430	0.000	1	108.5430	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]C[6]O)(C[5]C[5,6a]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[6]O)(C[5]C[5,6a]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7410	0.293	3	108.7410	0.086	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]CC)(H)2{6|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5025	0.080	2	108.5025	0.006	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]CH)(H)2{6|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	113.3100	0.000	1	113.3100	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[6a]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[6a]C)(H)2{8|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4390	0.000	1	108.4390	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]HH)(H)2{6|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7560	0.020	3	108.7560	0.000	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]CC)(H)2{4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4348	0.122	6	108.4348	0.015	6	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[6a]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[6a]H)(H)2{6|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8851	0.149	23	108.8851	0.022	23	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]HH)(H)2{4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6940	0.000	1	108.6940	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]B[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]B[5]H)(H)2{2|O<2>,4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8350	0.000	1	108.8350	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(H)2{4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5960	0.000	1	108.5960	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(H)2{4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7910	0.121	5	108.7910	0.015	5	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]CC)(H)2{4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.7495	0.322	2	107.7495	0.104	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]CH)(H)2{4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.4660	0.000	1	109.4660	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)2{1|C<3>,1|N<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5405	0.202	2	108.7954	0.288	9	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)2{2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8683	0.591	7	108.7954	0.288	9	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2{1|C<3>,1|N<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.3553	0.724	14	108.6052	0.920	21	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2{1|C<3>,1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	111.8630	0.000	1	108.6052	0.920	21	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2{2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6453	0.137	6	108.6052	0.920	21	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]N[5,6a]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)(C[5]N[5,6a]HH)(H)2{2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6897	0.444	6	108.6897	0.197	6	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)2(H)2{1|C<3>,1|N<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5433	0.185	6	108.4529	0.691	34	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)2(H)2{1|C<3>,1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.3995	0.065	8	108.4529	0.691	34	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)2(H)2{1|C<3>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4520	0.000	1	108.4529	0.691	34	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)2(H)2{2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4468	1.118	19	108.4529	0.691	34	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]HO)(C[5]N[5,6a]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]HO)(C[5]N[5,6a]HH)(H)2{1|C<3>,1|N<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	103.5550	0.000	1	103.5550	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]N[4]H)(C[5]C[5,6a]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]N[4]H)(C[5]C[5,6a]HH)(H)2{2|C<3>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6255	0.073	2	108.6255	0.005	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(H)2{4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9500	0.000	1	108.9500	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]N[5a]H)(C[5]C[5,6a]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]N[5a]H)(C[5]C[5,6a]HH)(H)2{4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5295	0.179	2	108.5295	0.032	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]N[6,6]H)(C[5]C[5,6a]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5,6a]N[6,6]H)(C[5]C[5,6a]HH)(H)2{1|C<4>,1|P<3>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8680	0.000	1	108.8680	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]2C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7210	0.000	1	108.5577	0.042	4	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]2C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2C)(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4505	0.272	2	108.5577	0.042	4	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]2C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2C)(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,2|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6090	0.000	1	108.5577	0.042	4	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]C[5]CC)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7690	0.182	2	108.8298	0.012	5	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]C[5]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8703	0.043	3	108.8298	0.012	5	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.6715	0.569	2	108.8133	0.659	24	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|C<2>,1|C<4>,1|N<3>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9440	0.000	1	108.8133	0.659	24	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9650	0.000	1	108.8133	0.659	24	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6650	0.000	1	108.8133	0.659	24	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5460	0.000	1	108.8133	0.659	24	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2210	0.000	1	108.8133	0.659	24	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5950	0.000	1	108.8133	0.659	24	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5210	0.000	1	108.8133	0.659	24	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5700	0.000	1	108.8133	0.659	24	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.8200	2.097	3	108.8133	0.659	24	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|Ir<8>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8180	0.000	1	108.8133	0.659	24	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1150	0.000	1	108.8133	0.659	24	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9490	0.000	1	108.8133	0.659	24	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4840	0.000	1	108.8133	0.659	24	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|Rh<8>,1|N<4>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.4425	0.050	2	108.8133	0.659	24	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{1|Rh<8>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8440	0.014	2	108.8133	0.659	24	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{2|C<3>,5|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8240	0.174	2	108.8133	0.659	24	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{2|N<3>,5|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1030	0.000	1	108.8133	0.659	24	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]C[5]HN)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]C[5]HN)(H)2{1|Rh<8>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.4760	0.000	1	109.4760	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]N[5]CH)(H)2{2|C<4>,5|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1000	0.130	2	109.1000	0.017	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|S<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6980	0.000	1	108.6213	0.006	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]N[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5830	0.058	2	108.6213	0.006	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]O[5]CO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]O[5]CO)(H)2{2|C<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1850	0.000	1	109.1850	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]2H)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2H)(C[5]O[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2390	0.000	1	109.2390	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]2O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2O)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,5|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8157	0.187	3	108.8665	0.034	4	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]2O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2O)(C[5]C[5]HH)(H)2{2|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0190	0.000	1	108.8665	0.034	4	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]2O)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2O)(C[5]O[5]CH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8107	0.177	3	108.8107	0.031	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]2O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2O[5])(C[5]C[5]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7640	0.085	3	108.7970	0.005	8	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]2O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2O[5])(C[5]C[5]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8168	0.055	5	108.7970	0.005	8	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]2Ru)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2Ru)(C[5]C[5]HH)(H)2{1|Ru<7>,2|H<1>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0505	0.193	2	109.0505	0.037	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]2Ru)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]2Ru)(C[5]O[5]HH)(H)2{1|Ru<7>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.6100	0.000	1	109.6100	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]BH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]BH)(C[5]C[5]HH)(H)2{1|N<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9430	0.000	1	108.9558	0.006	6	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]BH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]BH)(C[5]C[5]HH)(H)2{1|N<3>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8970	0.042	2	108.9558	0.006	6	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]BH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]BH)(C[5]C[5]HH)(H)2{1|N<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9993	0.085	3	108.9558	0.006	6	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]BH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]BH)(C[5]O[5]HH)(H)2{1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.2950	0.000	1	108.2950	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]BH)(C[5]P[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]BH)(C[5]P[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.1970	0.000	1	108.2845	0.015	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]BH)(C[5]P[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]BH)(C[5]P[5]HH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.3720	0.000	1	108.2845	0.015	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]Br2)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]Br2)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2090	0.000	1	109.2090	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]Br2)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]Br2)(C[5]O[5]HH)(H)2{1|C<3>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0390	0.000	1	109.0390	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]BrC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]BrC)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0430	0.000	1	109.0430	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]BrH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]BrH)(C[5]C[5]HH)(H)2{1|N<3>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0130	0.000	1	109.2015	0.071	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]BrH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]BrH)(C[5]C[5]HH)(H)2{1|Se<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.3900	0.000	1	109.2015	0.071	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]BrH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]BrH)(C[5]N[5]CH)(H)2{1|O<1>,1|S<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6620	0.000	1	108.6620	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]BrH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]BrH)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0520	0.000	1	109.0520	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]BrH)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]BrH)(C[5]O[5]CH)(H)2{1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0575	0.043	2	109.1337	0.018	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]BrH)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]BrH)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2860	0.000	1	109.1337	0.018	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]BrH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]BrH)(C[5]O[5]HH)(H)2{1|H<1>,1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1130	0.000	1	109.1130	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<2>,1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4920	0.000	1	108.6311	0.195	55	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<2>,1|H<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6860	0.096	2	108.6311	0.195	55	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4750	0.018	2	108.6311	0.195	55	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<3>,1|H<1>,1|N<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8180	0.000	1	108.6311	0.195	55	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6420	0.000	1	108.6311	0.195	55	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7150	0.219	2	108.6311	0.195	55	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4108	0.972	5	108.6311	0.195	55	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6531	0.622	13	108.6311	0.195	55	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7525	0.136	2	108.6311	0.195	55	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<4>,1|O<1>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7975	0.144	2	108.6311	0.195	55	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8240	0.000	1	108.6311	0.195	55	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8505	0.182	2	108.6311	0.195	55	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5490	0.000	1	108.6311	0.195	55	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|N<3>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6828	0.086	5	108.6311	0.195	55	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|N<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6933	0.057	3	108.6311	0.195	55	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|O<1>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7270	0.011	2	108.6311	0.195	55	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|O<2>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4860	0.000	1	108.6311	0.195	55	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{1|Re<7>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.6050	0.000	1	108.6311	0.195	55	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6771	0.193	7	108.6311	0.195	55	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5110	0.000	1	108.6311	0.195	55	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CO)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6730	0.000	1	108.7975	0.031	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]CO)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9220	0.000	1	108.7975	0.031	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|B<3>,1|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6970	0.000	1	108.6251	1.865	125	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.4837	2.854	6	108.6251	1.865	125	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0060	0.000	1	108.6251	1.865	125	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9584	0.927	13	108.6251	1.865	125	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4670	0.018	3	108.6251	1.865	125	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0180	0.000	1	108.6251	1.865	125	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7450	0.000	1	108.6251	1.865	125	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8858	0.124	5	108.6251	1.865	125	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7230	0.000	1	108.6251	1.865	125	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7163	0.089	4	108.6251	1.865	125	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6977	0.127	3	108.6251	1.865	125	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7790	0.000	1	108.6251	1.865	125	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6540	0.000	1	108.6251	1.865	125	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7020	0.113	2	108.6251	1.865	125	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|Cl<1>,1|C<4>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8490	0.000	1	108.6251	1.865	125	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|S<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	102.0960	0.000	1	108.6251	1.865	125	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4260	0.000	1	108.6251	1.865	125	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6190	0.110	5	108.6251	1.865	125	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7045	0.535	2	108.6251	1.865	125	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|N<3>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7105	0.135	2	108.6251	1.865	125	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.3948	1.733	43	108.6251	1.865	125	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{1|O<2>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7440	0.030	2	108.6251	1.865	125	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7480	0.033	2	108.6251	1.865	125	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7940	0.170	2	108.6251	1.865	125	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7405	0.071	2	108.6251	1.865	125	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8943	0.452	3	108.6251	1.865	125	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7475	0.225	16	108.6251	1.865	125	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HN)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HN)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8111	0.178	8	108.7770	0.030	10	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HN)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HN)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6405	0.037	2	108.7770	0.030	10	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.1410	0.000	1	108.3713	0.042	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5370	0.000	1	108.3713	0.042	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(H)2{2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4360	0.000	1	108.3713	0.042	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Al<3>,1|C<3>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.3830	0.000	1	108.4931	0.044	202	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Al<3>,1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5540	0.007	2	108.4931	0.044	202	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Al<4>,1|C<3>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5040	0.000	1	108.4931	0.044	202	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Al<4>,1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6767	0.026	3	108.4931	0.044	202	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|As<2>,1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5243	0.035	3	108.4931	0.044	202	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|B<2>,1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5220	0.000	1	108.4931	0.044	202	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|B<3>,1|C<3>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4425	0.046	2	108.4931	0.044	202	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|B<3>,1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4604	0.361	32	108.4931	0.044	202	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|B<4>,1|C<3>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4170	0.000	1	108.4931	0.044	202	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|B<4>,1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6541	0.376	16	108.4931	0.044	202	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|B<5>,1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6030	0.000	1	108.4931	0.044	202	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|B<5>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4980	0.000	1	108.4931	0.044	202	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Be<2>,1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5087	0.065	3	108.4931	0.044	202	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Be<3>,1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5047	0.091	3	108.4931	0.044	202	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|C<2>,1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.3570	0.129	7	108.4931	0.044	202	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4442	0.065	4	108.4931	0.044	202	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4448	0.052	11	108.4931	0.044	202	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4037	0.058	3	108.4931	0.044	202	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|C<3>,1|H<1>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5085	0.045	2	108.4931	0.044	202	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|C<3>,1|H<1>,1|P<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4800	0.000	1	108.4931	0.044	202	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.3610	0.194	4	108.4931	0.044	202	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5170	0.000	1	108.4931	0.044	202	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|C<3>,1|P<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5210	0.091	4	108.4931	0.044	202	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|C<3>,1|P<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5288	0.046	6	108.4931	0.044	202	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|C<3>,2|B<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.3840	0.021	5	108.4931	0.044	202	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4520	0.000	1	108.4931	0.044	202	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4517	0.022	3	108.4931	0.044	202	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Co<3>,1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6680	0.059	2	108.4931	0.044	202	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Co<4>,1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6130	0.000	2	108.4931	0.044	202	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Cr<3>,1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6260	0.010	2	108.4931	0.044	202	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Cr<6>,1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.2820	0.000	1	108.4931	0.044	202	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Cu<2>,1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6020	0.000	1	108.4931	0.044	202	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Cu<4>,1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.3880	0.000	1	108.4931	0.044	202	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Fe<3>,1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5840	0.046	5	108.4931	0.044	202	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Fe<4>,1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4797	0.197	7	108.4931	0.044	202	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Fe<5>,1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5160	0.000	1	108.4931	0.044	202	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Ga<4>,1|C<3>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4990	0.060	6	108.4931	0.044	202	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Ga<4>,1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5710	0.147	2	108.4931	0.044	202	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Ge<2>,1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5450	0.000	1	108.4931	0.044	202	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Ge<3>,1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5475	0.084	2	108.4931	0.044	202	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4720	0.000	1	108.4931	0.044	202	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5070	0.000	1	108.4931	0.044	202	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Ir<4>,1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5720	0.000	1	108.4931	0.044	202	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Ir<6>,1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6150	0.000	1	108.4931	0.044	202	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Ni<5>,1|C<3>,1|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5040	0.000	1	108.4931	0.044	202	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|O<1>,1|P<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.2720	0.000	1	108.4931	0.044	202	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|O<1>,1|S<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.1060	0.000	1	108.4931	0.044	202	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Ru<5>,1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4304	0.309	5	108.4931	0.044	202	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Se<1>,1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4145	0.039	2	108.4931	0.044	202	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Si<3>,1|C<3>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.3885	0.046	2	108.4931	0.044	202	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Si<3>,1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5310	0.056	7	108.4931	0.044	202	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Si<4>,1|C<3>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4405	0.023	2	108.4931	0.044	202	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Si<4>,1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5361	0.049	10	108.4931	0.044	202	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Sn<3>,1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5590	0.000	1	108.4931	0.044	202	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Ti<4>,1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5555	0.088	2	108.4931	0.044	202	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{1|Ti<5>,1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5880	0.000	1	108.4931	0.044	202	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(H)2{2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4188	0.086	8	108.4931	0.044	202	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8265	0.084	2	108.8648	0.168	18	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6904	0.084	5	108.8648	0.168	18	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6808	0.044	4	108.8648	0.168	18	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	110.3660	0.000	1	108.8648	0.168	18	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6230	0.000	1	108.8648	0.168	18	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0727	0.141	3	108.8648	0.168	18	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CH)(H)2{1|O<1>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7660	0.129	2	108.8648	0.168	18	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]CO)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4700	0.000	1	108.4700	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.1040	0.000	1	108.9576	0.668	10	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9040	0.094	3	108.9576	0.668	10	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]HH)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2983	0.541	3	108.9576	0.668	10	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]HH)(H)2{1|C<3>,1|S<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8130	0.000	1	108.9576	0.668	10	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.5260	0.976	2	108.9576	0.668	10	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]HS)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]N[5]HS)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7985	0.036	2	108.7985	0.001	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]O[5]CH)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8880	0.000	1	108.9670	0.012	5	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]O[5]CH)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9950	0.142	3	108.9670	0.012	5	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]O[5]CH)(H)2{1|N<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9620	0.000	1	108.9670	0.012	5	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)(C[5]O[5]HH)(H)2{1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9690	0.148	2	108.9690	0.022	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)2(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5790	0.000	1	108.5170	0.015	4	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)2(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5700	0.000	1	108.5170	0.015	4	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CC)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CC)2(H)2{1|O<1>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4595	0.176	2	108.5170	0.015	4	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CF)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CF)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5805	5.283	2	108.5805	27.908	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CF)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CF)(C[5]N[5]HH)(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	110.1470	0.000	1	110.1470	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]CO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7276	0.205	12	108.6308	0.033	30	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]CO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5663	0.135	18	108.6308	0.033	30	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|Br<1>,1|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0210	0.000	1	108.7211	1.837	299	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<2>,1|C<3>,1|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8620	0.000	1	108.7211	1.837	299	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<2>,1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8605	0.086	2	108.7211	1.837	299	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7352	0.111	5	108.7211	1.837	299	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9698	0.099	5	108.7211	1.837	299	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7198	0.331	6	108.7211	1.837	299	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7630	0.062	7	108.7211	1.837	299	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7175	0.312	4	108.7211	1.837	299	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5080	0.000	1	108.7211	1.837	299	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7580	0.033	2	108.7211	1.837	299	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7770	0.381	3	108.7211	1.837	299	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.1425	0.480	4	108.7211	1.837	299	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.8000	0.000	1	108.7211	1.837	299	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6595	0.030	2	108.7211	1.837	299	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.3813	0.465	3	108.7211	1.837	299	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7500	0.182	2	108.7211	1.837	299	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|N<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.2390	0.000	1	108.7211	1.837	299	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.3900	0.000	1	108.7211	1.837	299	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	106.4220	0.000	1	108.7211	1.837	299	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6520	0.000	1	108.7211	1.837	299	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8863	0.166	4	108.7211	1.837	299	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1376	0.569	5	108.7211	1.837	299	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.0769	2.632	14	108.7211	1.837	299	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1019	1.098	19	108.7211	1.837	299	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2012	1.570	12	108.7211	1.837	299	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6670	0.088	2	108.7211	1.837	299	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2340	0.014	2	108.7211	1.837	299	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7569	0.193	14	108.7211	1.837	299	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.0055	3.124	21	108.7211	1.837	299	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6730	0.000	1	108.7211	1.837	299	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,2|F<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.2470	0.000	1	108.7211	1.837	299	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|S<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9800	0.000	1	108.7211	1.837	299	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6485	0.100	2	108.7211	1.837	299	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7512	0.435	28	108.7211	1.837	299	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9355	0.450	2	108.7211	1.837	299	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|N<3>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9285	0.216	28	108.7211	1.837	299	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|N<4>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5480	0.000	1	108.7211	1.837	299	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|N<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6510	0.000	1	108.7211	1.837	299	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8670	0.081	4	108.7211	1.837	299	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.1502	3.027	15	108.7211	1.837	299	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7910	0.000	1	108.7211	1.837	299	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|O<2>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8417	0.157	6	108.7211	1.837	299	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|Si<4>,1|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7820	0.000	1	108.7211	1.837	299	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4800	0.000	1	108.7211	1.837	299	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9305	0.081	2	108.7211	1.837	299	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7280	0.000	1	108.7211	1.837	299	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1449	0.891	7	108.7211	1.837	299	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6025	0.108	2	108.7211	1.837	299	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6950	0.000	1	108.7211	1.837	299	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{4|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8283	0.389	3	108.7211	1.837	299	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8923	0.755	44	108.7211	1.837	299	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HN)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8820	0.066	2	108.8319	0.528	7	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HN)(H)2{1|O<2>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.3080	0.000	1	108.8319	0.528	7	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HN)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6900	0.000	1	108.8319	0.528	7	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HN)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.3360	0.000	1	108.8319	0.528	7	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HN)(H)2{4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.3625	0.033	2	108.8319	0.528	7	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	103.1039	8.287	2	108.0500	6.742	26	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1020	0.085	2	108.0500	6.742	26	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6780	0.139	4	108.0500	6.742	26	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6810	0.096	2	108.0500	6.742	26	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2120	1.078	2	108.0500	6.742	26	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	106.6030	2.901	2	108.0500	6.742	26	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2{1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6150	0.000	1	108.0500	6.742	26	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.0930	1.889	8	108.0500	6.742	26	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2747	0.101	3	108.0500	6.742	26	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]SS)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]C[5]SS)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7030	0.000	1	108.7030	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9900	0.000	1	108.7304	0.331	10	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8943	0.241	3	108.7304	0.331	10	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(H)2{1|O<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5840	0.934	4	108.7304	0.331	10	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(H)2{1|O<2>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6620	0.000	1	108.7304	0.331	10	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(H)2{2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6330	0.000	1	108.7304	0.331	10	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2{1|C<3>,1|H<1>,1|P<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0155	0.138	2	108.9055	0.187	20	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0450	0.137	2	108.9055	0.187	20	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9213	0.033	4	108.9055	0.187	20	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2{1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9130	0.000	1	108.9055	0.187	20	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9520	0.000	1	108.9055	0.187	20	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2{1|Cu<4>,1|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9270	0.000	1	108.9055	0.187	20	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8280	0.823	6	108.9055	0.187	20	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(H)2{1|S<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8480	0.054	3	108.9055	0.187	20	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6560	0.000	1	108.9553	0.059	23	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|S<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2040	0.000	1	108.9553	0.059	23	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5200	0.000	1	108.9553	0.059	23	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0785	0.233	2	108.9553	0.059	23	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.4930	0.000	1	108.9553	0.059	23	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1160	0.000	1	108.9553	0.059	23	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9251	0.250	7	108.9553	0.059	23	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8280	0.071	4	108.9553	0.059	23	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2{1|C<4>,1|S<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8470	0.000	1	108.9553	0.059	23	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8950	0.000	1	108.9553	0.059	23	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2030	0.000	1	108.9553	0.059	23	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)2{1|O<1>,1|S<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0465	0.076	2	108.9553	0.059	23	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HP)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]HP)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.4240	0.000	1	109.4240	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]CC)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0040	0.000	1	108.9203	0.006	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]CC)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8950	0.000	1	108.9203	0.006	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]CC)(H)2{1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8620	0.000	1	108.9203	0.006	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.6980	0.000	1	109.3354	0.873	16	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	112.6430	0.000	1	109.3354	0.873	16	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)2{1|C<4>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9759	0.070	7	109.3354	0.873	16	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)2{1|H<1>,1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9360	0.000	1	109.3354	0.873	16	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)2{1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2098	0.410	6	109.3354	0.873	16	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]CO)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	97.5478	0.000	1	103.3349	66.981	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]CO)(H)2{2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1220	0.000	1	103.3349	66.981	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9407	0.143	3	108.7167	4.517	14	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0430	0.000	1	108.7167	4.517	14	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2{1|H<1>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2710	0.000	1	108.7167	4.517	14	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2{1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.3466	3.070	7	108.7167	4.517	14	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2{1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.3980	0.000	1	108.7167	4.517	14	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(H)2{2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0740	0.000	1	108.7167	4.517	14	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]HO)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2890	0.000	1	109.2890	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]HS)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]HS)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1590	0.000	1	109.1590	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)2(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9250	0.000	1	108.6639	0.274	22	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4342	0.112	5	108.6639	0.274	22	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)2(H)2{1|C<3>,1|H<1>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6285	0.035	2	108.6639	0.274	22	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)2(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6950	0.000	1	108.6639	0.274	22	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)2(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8200	0.000	1	108.6639	0.274	22	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)2(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5220	0.000	1	108.6639	0.274	22	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)2(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.3260	0.000	1	108.6639	0.274	22	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)2(H)2{1|O<2>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8130	0.147	4	108.6639	0.274	22	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)2(H)2{1|Re<7>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	106.8220	0.000	1	108.6639	0.274	22	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)2(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0790	0.000	1	108.6639	0.274	22	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)2(H)2{2|Si<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9997	0.023	3	108.6639	0.274	22	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CH)2(H)2{4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.7370	0.000	1	108.6639	0.274	22	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5540	0.000	1	108.7355	0.119	52	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6390	0.000	1	108.7355	0.119	52	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6765	0.056	2	108.7355	0.119	52	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.8000	0.000	1	108.7355	0.119	52	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8950	0.000	1	108.7355	0.119	52	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5240	0.173	23	108.7355	0.119	52	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2{1|H<1>,1|N<4>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7067	0.209	3	108.7355	0.119	52	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0990	0.000	1	108.7355	0.119	52	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8980	0.000	1	108.7355	0.119	52	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2{1|O<2>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8767	0.194	7	108.7355	0.119	52	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CN)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9726	0.438	11	108.7355	0.119	52	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]C[5]HN)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CN)(C[5]C[5]HN)(H)2{1|N<2>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8649	0.216	9	108.8649	0.046	9	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CN)(C[5]C[5]HO)(H)2{1|O<2>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8928	0.255	11	108.8389	0.054	17	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CN)(C[5]C[5]HO)(H)2{4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7400	0.157	6	108.8389	0.054	17	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]O[5]CO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CN)(C[5]O[5]CO)(H)2{2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	111.5453	0.995	3	111.5453	0.989	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CN)(C[5]O[5]HH)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0296	0.168	14	109.0155	0.029	15	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CN)(C[5]O[5]HH)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8180	0.000	1	109.0155	0.029	15	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CN)(C[5]S[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CN)(C[5]S[5]HH)(H)2{2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.3330	0.000	1	108.3330	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5525	0.197	2	108.8043	0.125	86	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|C<2>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.3590	0.000	1	108.8043	0.125	86	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7470	0.000	1	108.8043	0.125	86	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0287	0.248	9	108.8043	0.125	86	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6647	0.371	10	108.8043	0.125	86	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6760	0.044	2	108.8043	0.125	86	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7873	0.178	4	108.8043	0.125	86	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5640	0.000	1	108.8043	0.125	86	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.3311	0.798	8	108.8043	0.125	86	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6385	0.011	2	108.8043	0.125	86	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9145	0.136	46	108.8043	0.125	86	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(H)2{1|C<2>,1|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6540	0.000	1	107.7665	1.575	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	106.8790	0.000	1	107.7665	1.575	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]N[5]CO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]N[5]CO)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6195	0.088	2	108.6195	0.008	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8340	0.000	1	108.8650	0.002	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]O[5]CH)(H)2{1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8960	0.000	1	108.8650	0.002	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]O[5]CO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)(C[5]O[5]CO)(H)2{2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8410	0.000	1	108.8410	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CO)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)2(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6980	0.000	1	108.5636	0.021	9	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CO)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)2(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5090	0.145	6	108.5636	0.021	9	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CO)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CO)2(H)2{2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6600	0.079	2	108.5636	0.021	9	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CP)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CP)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.4820	0.000	1	109.0133	0.188	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CP)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CP)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7790	0.214	2	109.0133	0.188	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CS)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CS)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8220	0.157	2	108.8220	0.025	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CS)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CS)(C[5]N[5]CH)(H)2{1|S<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8980	0.000	1	108.8980	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CS)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CS)(C[5]O[5]CH)(H)2{1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	105.6670	0.000	1	105.6670	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CS)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CS)(C[5]O[5]HH)(H)2{1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.4760	0.000	1	109.4760	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C[6]2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]C[6]2)(C[5]C[5]HH)(H)2{2|C<3>,2|N<3>,4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8140	0.136	2	108.8140	0.018	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C[6]C)(C[5]C[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]C[6]C)(C[5]C[5]CC)(H)2{2|C<4>,5|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	106.1275	1.498	2	106.1275	2.245	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]C[6]C)(C[5]C[5]HH)(H)2{1|Br<1>,1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4890	0.000	1	108.0700	1.727	4	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	106.1270	0.000	1	108.0700	1.727	4	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]C[6]C)(C[5]C[5]HH)(H)2{3|H<1>,4|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8320	0.263	2	108.0700	1.727	4	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C[6]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]C[6]H)(C[5]C[5,5]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8420	0.000	1	108.8420	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C[6]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]CH)(H)2{1|H<1>,3|C<4>,3|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2330	0.000	1	109.2330	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.4375	0.015	2	108.8648	0.548	16	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0550	0.104	6	108.8648	0.548	16	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6270	0.000	1	108.8648	0.548	16	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9850	0.000	1	108.8648	0.548	16	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,5|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0390	0.175	2	108.8648	0.548	16	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9040	0.000	1	108.8648	0.548	16	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9960	0.000	1	108.8648	0.548	16	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8440	0.000	1	108.8648	0.548	16	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2{2|H<1>,4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	106.1980	0.000	1	108.8648	0.548	16	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C[6]H)(C[5]N[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]C[6]H)(C[5]N[5]HO)(H)2{1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8280	0.000	1	108.8280	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]C[6]O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]C[6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7775	0.190	4	108.7775	0.036	4	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]ClC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]ClC)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8210	0.000	1	108.8210	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]ClC)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]ClC)(C[5]N[5]CH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9200	0.000	1	108.9200	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]ClC)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]ClC)(C[5]N[5]HH)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9910	0.000	1	108.9075	0.014	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]ClC)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]ClC)(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8240	0.000	1	108.9075	0.014	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]ClH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]ClH)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9060	0.000	1	109.1465	0.116	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]ClH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]ClH)(C[5]C[5]HH)(H)2{1|Se<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.3870	0.000	1	109.1465	0.116	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]ClH)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]ClH)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0613	0.029	4	109.0613	0.001	4	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CoH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CoH)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8750	0.206	2	108.8750	0.043	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CuH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]CuH)(C[5]C[5]HH)(H)2{3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1623	0.042	4	109.1623	0.002	4	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]FF)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]FF)(C[5]N[5]CH)(H)2{3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1420	0.160	2	109.1420	0.026	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]FF)(C[5]S[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]FF)(C[5]S[5]HH)(H)2{1|C<4>,1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	116.8440	0.000	1	116.8440	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]FH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]FH)(C[5]N[5]CH)(H)2{1|S<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.3810	0.000	1	110.1645	6.362	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]FH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]FH)(C[5]N[5]CH)(H)2{4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	111.9480	0.000	1	110.1645	6.362	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]FH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]FH)(C[5]N[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7655	0.021	2	108.7973	0.041	6	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]FH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]FH)(C[5]N[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8132	0.259	4	108.7973	0.041	6	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]FH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]FH)(C[5]O[5]HH)(H)2{1|C<2>,1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9260	0.000	1	108.9260	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]FH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]FH)2(H)2{2|F<1>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4360	0.000	1	108.4360	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]GeH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]GeH)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9370	0.156	3	108.9370	0.024	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]3)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]3)(H)2{1|Mo<8>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8190	0.126	2	108.8190	0.016	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|Br<1>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6500	0.000	1	108.8436	0.187	171	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|C<1>,1|N<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0020	0.000	1	108.8436	0.187	171	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.7305	1.480	2	108.8436	0.187	171	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8260	0.000	1	108.8436	0.187	171	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8599	0.233	30	108.8436	0.187	171	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.4440	0.013	2	108.8436	0.187	171	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|N<2>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8880	0.209	6	108.8436	0.187	171	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|N<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.5350	0.000	1	108.8436	0.187	171	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|N<3>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6261	0.181	12	108.8436	0.187	171	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|N<3>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8656	0.379	22	108.8436	0.187	171	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|N<4>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6097	0.199	12	108.8436	0.187	171	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|N<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8220	0.260	2	108.8436	0.187	171	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|O<2>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8194	0.595	5	108.8436	0.187	171	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{1|S<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7470	0.000	1	108.8436	0.187	171	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.6430	1.132	4	108.8436	0.187	171	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7790	0.013	2	108.8436	0.187	171	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{2|H<1>,2|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.9200	0.414	3	108.8436	0.187	171	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8780	0.000	1	108.8436	0.187	171	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(H)2{4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9150	0.234	63	108.8436	0.187	171	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7828	0.183	6	108.9411	0.241	82	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0601	0.238	7	108.9411	0.241	82	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|C<3>,1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7550	0.000	1	108.9411	0.241	82	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0930	0.000	1	108.9411	0.241	82	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|C<3>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9040	0.000	1	108.9411	0.241	82	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7589	0.104	9	108.9411	0.241	82	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6510	0.000	1	108.9411	0.241	82	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7285	0.253	4	108.9411	0.241	82	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.3890	0.000	1	108.9411	0.241	82	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7440	0.049	2	108.9411	0.241	82	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	110.2160	0.000	1	108.9411	0.241	82	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|N<3>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.9850	1.659	2	108.9411	0.241	82	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|N<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	110.7070	0.228	2	108.9411	0.241	82	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|N<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0300	0.849	5	108.9411	0.241	82	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|O<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0680	0.147	2	108.9411	0.241	82	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|O<1>,2|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9830	0.000	1	108.9411	0.241	82	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|O<2>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6840	0.000	1	108.9411	0.241	82	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|O<2>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0345	0.409	2	108.9411	0.241	82	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{1|S<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9385	0.028	2	108.9411	0.241	82	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7377	0.160	3	108.9411	0.241	82	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9060	0.000	1	108.9411	0.241	82	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{4|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6660	0.000	1	108.9411	0.241	82	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(H)2{4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8362	0.187	26	108.9411	0.241	82	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2{1|N<2>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8600	0.042	2	108.7770	0.342	118	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2{1|N<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0070	0.000	1	108.7770	0.342	118	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2{1|P<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0110	0.000	1	108.7770	0.342	118	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HP)(H)2{4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7715	0.594	114	108.7770	0.342	118	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2{1|C<3>,1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8220	0.000	1	109.1399	1.772	28	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8740	0.000	1	109.1399	1.772	28	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2{1|H<1>,1|O<1>,1|S<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6755	0.030	2	109.1399	1.772	28	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2{1|N<3>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8188	0.128	9	109.1399	1.772	28	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2{1|O<2>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1990	0.314	2	109.1399	1.772	28	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2{1|S<2>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8540	0.000	1	109.1399	1.772	28	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2{1|S<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	115.8670	0.000	1	109.1399	1.772	28	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2{1|S<3>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9990	0.000	1	109.1399	1.772	28	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2{1|S<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2070	0.000	1	109.1399	1.772	28	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2{4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9083	0.173	9	109.1399	1.772	28	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]NN)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]NN)(H)2{4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9825	0.073	2	108.9825	0.005	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]SS)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]SS)(H)2{4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.6510	0.652	2	107.6510	0.425	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]BH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]BH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	106.3750	0.000	1	106.3750	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|C<2>,1|C<3>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7470	0.000	1	108.8703	1.093	49	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	111.1230	0.000	1	108.8703	1.093	49	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7545	0.175	2	108.8703	1.093	49	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8745	0.298	2	108.8703	1.093	49	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.9760	0.000	1	108.8703	1.093	49	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0225	0.107	8	108.8703	1.093	49	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9853	0.128	3	108.8703	1.093	49	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8210	0.000	1	108.8703	1.093	49	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	106.0910	3.676	2	108.8703	1.093	49	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|Co<6>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9220	0.000	1	108.8703	1.093	49	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|Cu<2>,1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0760	0.000	1	108.8703	1.093	49	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|H<1>,1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5560	0.230	3	108.8703	1.093	49	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.7503	0.852	6	108.8703	1.093	49	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	110.1870	0.000	1	108.8703	1.093	49	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|Ni<4>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7140	0.000	1	108.8703	1.093	49	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|O<1>,1|S<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	106.3890	0.000	1	108.8703	1.093	49	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|Pd<4>,1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8392	0.157	4	108.8703	1.093	49	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|Pd<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7760	0.000	1	108.8703	1.093	49	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{1|S<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.3930	0.000	1	108.8703	1.093	49	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0250	0.036	3	108.8703	1.093	49	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9470	0.000	1	108.8703	1.093	49	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(H)2{4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8487	0.183	4	108.8703	1.093	49	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Al<5>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8120	0.000	1	108.8799	2.255	762	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Al<5>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9305	0.192	2	108.8799	2.255	762	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|B<4>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7530	0.000	1	108.8799	2.255	762	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<2>,1|C<3>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0825	0.142	2	108.8799	2.255	762	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<2>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.4720	0.000	1	108.8799	2.255	762	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2284	0.796	29	108.8799	2.255	762	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.7240	1.144	2	108.8799	2.255	762	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|H<1>,1|N<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.0890	0.000	1	108.8799	2.255	762	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7165	0.002	2	108.8799	2.255	762	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8880	0.000	1	108.8799	2.255	762	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|O<1>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5903	0.096	3	108.8799	2.255	762	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7557	0.191	7	108.8799	2.255	762	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,1|S<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9390	0.000	1	108.8799	2.255	762	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1650	0.000	1	108.8799	2.255	762	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8589	1.044	261	108.8799	2.255	762	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9707	0.440	6	108.8799	2.255	762	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1460	0.000	1	108.8799	2.255	762	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6203	0.268	10	108.8799	2.255	762	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,1|H<1>,1|P<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.5000	0.000	1	108.8799	2.255	762	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9200	0.151	9	108.8799	2.255	762	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9903	1.047	16	108.8799	2.255	762	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.7370	0.000	1	108.8799	2.255	762	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1455	1.145	48	108.8799	2.255	762	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9163	0.387	23	108.8799	2.255	762	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Co<6>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5990	0.073	4	108.8799	2.255	762	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Co<6>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1210	0.000	1	108.8799	2.255	762	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Co<6>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7410	0.000	1	108.8799	2.255	762	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Co<6>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7281	1.130	9	108.8799	2.255	762	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Cu<4>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7220	0.257	4	108.8799	2.255	762	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Cu<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	98.9863	31.565	2	108.8799	2.255	762	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Cu<5>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7270	0.000	1	108.8799	2.255	762	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Cu<5>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0040	0.000	1	108.8799	2.255	762	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Fe<5>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8207	0.190	7	108.8799	2.255	762	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Fe<6>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9334	0.213	7	108.8799	2.255	762	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Fe<7>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9713	0.331	3	108.8799	2.255	762	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9669	0.373	59	108.8799	2.255	762	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.4484	1.392	11	108.8799	2.255	762	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.5300	3.842	3	108.8799	2.255	762	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Ir<6>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6230	0.000	1	108.8799	2.255	762	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Ir<8>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9520	0.229	2	108.8799	2.255	762	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Li<4>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7320	0.000	1	108.8799	2.255	762	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Mg<5>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7680	0.104	4	108.8799	2.255	762	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Mn<6>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8100	0.151	2	108.8799	2.255	762	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Mo<6>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8810	0.055	2	108.8799	2.255	762	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|N<2>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.3948	0.924	6	108.8799	2.255	762	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|N<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7276	0.332	5	108.8799	2.255	762	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Ni<4>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9084	0.261	32	108.8799	2.255	762	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Ni<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0448	0.113	5	108.8799	2.255	762	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Ni<6>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7700	0.000	1	108.8799	2.255	762	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|O<1>,1|S<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0000	0.000	1	108.8799	2.255	762	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6840	0.000	1	108.8799	2.255	762	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|P<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4880	0.000	1	108.8799	2.255	762	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Pd<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7403	0.285	12	108.8799	2.255	762	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Pd<5>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6660	0.000	1	108.8799	2.255	762	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Pt<4>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8630	0.000	1	108.8799	2.255	762	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Pt<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0900	0.000	1	108.8799	2.255	762	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Rh<6>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7907	0.056	3	108.8799	2.255	762	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Ru<8>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.4830	0.116	2	108.8799	2.255	762	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Ru<9>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1355	0.383	2	108.8799	2.255	762	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|S<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8771	0.322	36	108.8799	2.255	762	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Si<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9200	0.000	1	108.8799	2.255	762	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Si<5>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8040	0.000	1	108.8799	2.255	762	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|W<7>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1440	0.182	2	108.8799	2.255	762	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Zn<4>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9817	0.051	3	108.8799	2.255	762	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Zn<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8338	0.152	4	108.8799	2.255	762	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{1|Zn<5>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6690	0.000	1	108.8799	2.255	762	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.2660	0.000	1	108.8799	2.255	762	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.5110	0.000	1	108.8799	2.255	762	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5975	0.093	2	108.8799	2.255	762	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5960	0.000	1	108.8799	2.255	762	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9872	0.190	10	108.8799	2.255	762	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)2{4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9253	0.619	70	108.8799	2.255	762	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CN)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CN)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6896	0.071	12	108.6896	0.005	12	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CO)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6250	0.000	1	108.6250	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CP)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CP)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	106.3380	0.000	1	109.2225	17.772	4	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CP)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CP)(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	115.3600	0.000	1	109.2225	17.772	4	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CP)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CP)(H)2{1|O<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6050	0.000	1	109.2225	17.772	4	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CP)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CP)(H)2{1|O<2>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	106.5870	0.000	1	109.2225	17.772	4	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Al<4>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8100	0.007	2	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Al<4>,1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7255	0.292	2	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Al<5>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6940	0.000	1	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Al<5>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8607	0.235	9	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|B<3>,1|C<3>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7490	0.146	2	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|B<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1045	0.043	2	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|B<4>,1|B<5>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8890	0.000	1	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|B<4>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6807	0.359	3	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|B<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0850	0.006	4	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|B<6>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9990	0.047	2	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<2>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7773	0.051	4	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9470	0.077	3	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9572	0.783	94	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|S<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0323	0.065	4	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9030	0.247	15	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.3580	1.187	10	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|N<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.2900	0.000	1	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0230	0.048	3	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.3848	0.996	5	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|S<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1600	0.095	3	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9094	0.491	25	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1295	1.101	6	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|N<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9845	0.101	2	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8798	0.140	10	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7405	0.094	2	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,1|S<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0220	0.000	1	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8455	0.823	415	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8697	1.007	56	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8880	0.000	1	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|N<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.5399	2.229	8	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9200	0.352	4	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|P<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8105	0.524	2	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0130	0.206	16	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|W<7>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.5520	0.371	2	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,1|N<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	117.7320	0.000	1	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8905	0.690	144	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,1|O<2>,1|P<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	105.9940	0.000	1	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9814	0.580	17	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,1|W<7>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9610	0.000	1	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1215	0.073	4	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7348	0.653	95	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7845	0.656	83	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1790	0.000	1	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Co<6>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1610	0.000	1	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Co<6>,1|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0552	1.826	6	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Co<6>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8570	0.000	1	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Co<6>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6895	0.204	2	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Co<6>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	110.4591	2.842	7	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Cr<6>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7960	0.000	1	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Cr<6>,1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8140	0.000	1	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Cu<4>,1|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	105.0910	1.884	2	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Cu<4>,1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8220	0.265	9	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Cu<4>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5135	0.385	2	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Cu<5>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9600	0.000	1	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Cu<5>,1|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0290	0.000	1	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Dy<17>,1|C<5>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9770	0.083	2	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Fe<5>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0107	0.101	3	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Fe<5>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8620	0.016	2	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Fe<5>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.0807	1.487	8	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Fe<6>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.3005	0.077	2	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Fe<6>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8288	0.117	13	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Fe<7>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7775	0.006	2	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Fe<7>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8280	0.000	1	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.2607	2.305	14	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|H<1>,1|O<2>,1|S<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0235	0.090	2	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|H<1>,1|W<7>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.5810	0.000	1	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8423	1.802	222	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1353	0.407	22	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8070	0.178	2	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ir<6>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	106.6740	0.000	1	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ir<6>,1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.6740	0.000	1	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ir<8>,1|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0165	0.136	2	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ir<8>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8460	0.212	2	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Li<4>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8375	0.042	2	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Lu<13>,1|Si<5>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7900	0.171	2	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Mg<5>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9042	0.125	6	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Mg<6>,1|B<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8985	0.371	2	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Mg<6>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8100	0.180	3	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Mn<6>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8273	0.160	9	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Mo<6>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8300	0.133	5	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Mo<6>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1560	0.065	2	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Mo<6>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9000	0.000	1	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|N<2>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7823	0.569	6	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|N<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.3830	0.065	2	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9560	0.000	1	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ni<4>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9674	0.349	30	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ni<4>,1|C<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6520	0.000	1	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ni<4>,1|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9896	0.208	5	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ni<4>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6710	0.068	2	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ni<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0360	0.037	2	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ni<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.3295	0.127	2	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ni<6>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1230	0.051	2	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ni<6>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8740	0.000	1	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.5317	2.499	3	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|P<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1097	1.292	86	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Pd<4>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0475	0.077	2	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Pd<4>,1|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9599	0.240	7	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Pd<4>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7137	0.304	6	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Pd<5>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9290	0.189	3	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Pt<4>,1|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2500	0.000	1	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Pt<4>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.2965	0.564	2	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Pt<5>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9730	0.269	2	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Rh<5>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8128	0.264	6	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Rh<6>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7630	0.000	1	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Rh<6>,1|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1390	0.000	1	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Rh<6>,1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6000	0.054	2	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Rh<6>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8980	0.017	2	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Rh<7>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9155	0.213	2	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ru<6>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8050	0.000	1	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ru<6>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0135	0.088	2	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ru<6>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6840	0.034	2	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ru<8>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.4360	0.000	1	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ru<8>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8915	0.296	2	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ru<9>,1|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1640	0.000	1	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ru<9>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.4630	0.040	2	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|S<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8253	0.369	9	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Sb<5>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7870	0.009	3	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Si<4>,1|B<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.8365	1.180	2	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Si<4>,1|C<3>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.3555	0.824	2	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Si<4>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2220	0.000	1	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Si<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.0030	0.000	1	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Si<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	111.7785	2.603	4	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Si<5>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0280	0.000	1	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Si<5>,1|Y<13>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8360	0.079	2	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Sn<4>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8760	0.105	2	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Sn<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2320	0.000	1	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ti<10>,1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9430	0.252	4	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ti<11>,1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8894	0.188	5	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Ti<9>,1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6212	0.097	5	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|U<12>,1|C<4>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6607	0.157	6	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|W<7>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9155	0.674	2	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Zn<4>,1|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0980	0.000	1	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Zn<4>,1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9830	0.000	1	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Zn<4>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1642	0.382	4	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Zn<4>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6968	0.137	4	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Zn<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7800	0.389	2	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Zn<5>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7870	0.000	1	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Zn<5>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6925	0.869	4	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{1|Zr<10>,1|C<4>,1|C<5>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6770	0.059	2	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{2|B<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7930	0.069	2	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7846	0.198	5	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8520	1.503	115	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{2|H<1>,2|P<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	110.7733	0.186	3	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.9265	1.438	2	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0788	0.097	5	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4865	1.122	30	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7108	0.616	41	108.8714	1.175	1898	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HN)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HN)(H)2{1|C<3>,1|H<1>,1|N<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.9050	2.659	2	109.4515	1.807	6	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HN)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HN)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.3590	0.454	2	109.4515	1.807	6	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HN)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HN)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.3580	0.000	1	109.4515	1.807	6	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HN)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HN)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.8230	0.000	1	109.4515	1.807	6	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HO)(H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0640	0.000	1	109.4617	2.134	8	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HO)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.5808	1.708	6	109.4617	2.134	8	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HO)(H)2{1|S<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1450	0.000	1	109.4617	2.134	8	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HP)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HP)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9830	0.000	1	108.9830	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HS)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HS)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.5180	0.000	1	109.5180	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]NN)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]NN)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6400	0.000	1	108.6400	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]OU)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]OU)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9304	0.131	7	108.9304	0.017	7	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]PP)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]PP)(H)2{4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4703	0.294	3	108.4703	0.087	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2040	0.045	2	109.3086	5.105	13	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.4150	0.000	1	109.3086	5.105	13	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7638	0.675	5	109.3086	5.105	13	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(H)2{1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	110.1070	4.291	4	109.3086	5.105	13	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(H)2{2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9420	0.000	1	109.3086	5.105	13	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|Al<5>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9135	0.155	2	109.0492	0.108	115	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9110	0.000	1	109.0492	0.108	115	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	111.4990	0.000	1	109.0492	0.108	115	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0565	0.194	55	109.0492	0.108	115	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|C<4>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8970	0.000	1	109.0492	0.108	115	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|Fe<5>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9670	0.211	3	109.0492	0.108	115	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|Fe<6>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6600	0.000	1	109.0492	0.108	115	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|H<1>,1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.3500	0.000	2	109.0492	0.108	115	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|Mg<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9180	0.569	2	109.0492	0.108	115	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|Mn<6>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0380	0.000	1	109.0492	0.108	115	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0897	0.322	11	109.0492	0.108	115	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|Re<6>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8790	0.000	1	109.0492	0.108	115	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|Ru<9>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8710	0.000	1	109.0492	0.108	115	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{1|V<7>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9290	0.000	1	109.0492	0.108	115	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9376	0.308	18	109.0492	0.108	115	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)2{2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0523	0.177	14	109.0492	0.108	115	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CO)(H)2{1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8580	0.000	1	109.0360	0.087	4	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CO)(H)2{2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0255	0.435	2	109.0360	0.087	4	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CO)(H)2{2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2350	0.000	1	109.0360	0.087	4	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Al<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9397	0.564	49	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Al<5>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6445	0.432	4	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Al<5>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0051	0.594	26	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Al<6>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0377	0.271	17	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|B<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	110.4219	4.223	19	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|B<6>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9758	0.127	9	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ba<10>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0397	0.243	4	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ba<11>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5230	0.212	2	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ba<13>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8874	0.259	8	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ba<7>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0198	0.173	4	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ba<8>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9206	0.448	5	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Be<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1140	0.021	2	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|C<2>,1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1470	0.000	1	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8220	0.368	6	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8980	0.494	2	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9781	0.293	17	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|C<4>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0470	0.000	1	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|C<6>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4335	0.346	2	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ca<12>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9430	0.090	5	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ca<14>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0750	0.000	1	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ca<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9047	0.360	3	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ca<5>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7946	0.218	13	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ca<6>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9327	0.292	66	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ca<7>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0153	0.341	23	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ca<8>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9088	0.273	37	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ca<9>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1606	0.266	19	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Cd<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0730	0.425	3	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Co<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1625	0.100	2	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Co<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8586	0.301	11	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Co<5>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8878	0.974	9	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Co<6>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9515	0.320	28	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Cr<10>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.2740	0.066	4	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Cr<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.8878	1.834	5	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Cr<5>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9676	0.265	25	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Cr<6>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1044	1.808	48	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Cr<7>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8999	0.127	8	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Cr<8>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9715	0.189	2	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Cu<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0578	0.262	5	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Cu<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8847	0.225	11	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Cu<5>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9073	0.418	3	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Cu<6>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0200	0.361	3	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Dy<11>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7170	0.000	1	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Dy<14>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7820	0.098	2	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Er<14>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7920	1.041	2	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Eu<11>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1400	0.206	2	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Eu<12>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8225	0.052	2	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Eu<13>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2310	0.000	1	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Eu<5>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0678	0.375	4	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Eu<6>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8490	0.271	8	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Eu<7>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1993	0.439	4	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Fe<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1167	0.152	3	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Fe<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0134	0.259	30	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Fe<5>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6343	0.248	3	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Fe<5>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9477	0.306	23	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Fe<6>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.0680	0.000	1	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Fe<6>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8546	0.316	29	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Fe<7>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2055	0.146	2	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ga<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9510	0.301	21	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ga<5>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9230	1.017	2	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ge<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1280	0.165	2	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|H<1>,1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0302	0.413	9	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|H<1>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.1100	0.000	1	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|H<1>,1|P<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5260	0.000	1	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1323	0.185	3	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Hf<9>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6800	0.154	4	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|In<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9840	0.232	6	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|In<5>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2168	0.249	10	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|In<6>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0398	0.251	12	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ir<5>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.9740	0.113	2	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ir<6>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6370	0.245	2	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ir<6>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7455	0.036	2	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Li<1>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.3170	0.000	1	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Li<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8788	0.503	94	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Li<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	105.5575	4.857	2	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Li<4>,1|Li<5>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1770	0.000	1	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Li<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9095	0.740	650	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Li<5>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9386	0.278	67	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Li<6>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8818	0.267	22	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Li<7>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0284	0.456	8	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Li<8>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0643	0.184	8	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Lu<14>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.4500	0.204	2	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Lu<6>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5700	0.000	1	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Lu<8>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4800	0.074	2	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Mg<4>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9580	0.000	1	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Mg<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.5109	2.605	64	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Mg<5>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7587	0.628	70	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Mg<6>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9850	0.414	164	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Mg<7>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1520	0.690	24	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Mg<8>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9370	0.232	14	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Mn<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9456	0.362	10	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Mn<5>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8868	0.248	6	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Mn<6>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2610	0.000	1	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Mn<6>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8760	0.000	1	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Mo<6>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1906	0.093	7	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Mo<7>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8110	0.396	4	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Nb<5>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8920	0.313	4	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Nb<7>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6683	0.526	3	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Nd<19>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9530	0.000	1	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Nd<9>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5963	0.576	3	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ni<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9722	0.182	5	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ni<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6245	0.433	2	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ni<5>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4624	1.588	5	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ni<6>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9952	0.214	21	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ni<7>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9990	0.000	1	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Np<7>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9113	0.186	6	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.3525	0.602	2	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1495	0.008	2	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Pd<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9900	2.079	4	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Pt<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8420	0.411	4	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Pu<6>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7120	0.100	2	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Pu<7>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9296	0.260	12	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Re<5>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8300	0.221	2	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Re<6>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0244	0.208	9	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Re<6>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8100	0.000	1	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Rh<5>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9027	0.214	4	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Rh<8>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1900	0.198	2	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ru<5>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0120	0.394	8	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ru<6>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.7290	0.139	2	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ru<6>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2110	0.000	1	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sc<10>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7385	0.169	2	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sc<11>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9785	0.122	2	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sc<12>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2059	0.735	10	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sc<5>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1510	0.000	1	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sc<6>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2096	0.126	14	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sc<7>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7710	0.141	3	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sc<8>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0606	0.278	7	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sc<9>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8475	0.039	2	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Si<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0643	0.123	3	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Si<6>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1290	0.057	2	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sm<11>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9760	0.298	4	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sm<12>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9726	0.500	14	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sm<13>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8827	0.274	13	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sm<14>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4220	0.119	2	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sm<15>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0975	2.341	2	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sm<16>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1640	0.099	2	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sm<19>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1395	0.207	2	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sm<5>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.1878	2.315	9	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sm<6>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9423	0.263	9	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sm<7>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8499	0.372	19	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sm<8>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0986	0.210	20	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sm<9>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8431	0.368	17	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sn<5>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5258	0.344	4	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sn<6>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9764	0.272	7	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sr<11>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0995	0.046	2	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sr<12>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6495	0.332	6	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sr<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0420	0.213	7	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sr<6>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0391	0.250	14	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sr<7>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1327	0.165	10	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sr<8>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.3450	0.000	1	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sr<8>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9515	0.276	13	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Sr<9>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9655	0.213	12	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ta<14>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7790	0.000	1	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Tc<6>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9285	0.265	4	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ti<10>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1710	0.107	5	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ti<11>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	112.3820	3.169	2	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ti<12>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.5463	1.781	16	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ti<6>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9924	0.239	12	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ti<7>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7631	0.433	7	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ti<8>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9087	0.265	4	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Ti<9>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0265	0.260	2	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Tm<11>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9435	0.332	2	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|U<11>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9335	0.268	2	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|U<13>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1235	0.159	11	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|U<14>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9387	0.187	11	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|U<9>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0087	0.299	4	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|V<11>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	110.0060	2.328	2	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|V<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2270	0.168	3	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|V<5>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0885	0.102	4	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|V<6>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.8470	1.639	23	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|V<7>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0170	0.689	7	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|V<8>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1885	0.078	2	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|W<5>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2835	0.243	2	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|W<6>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6774	0.169	10	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|W<9>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1503	0.104	3	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Y<12>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5890	0.153	3	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Y<13>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0500	0.000	1	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Y<15>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6115	0.076	2	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Y<16>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1060	0.117	2	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Y<8>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.3987	0.023	3	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Yb<12>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9660	0.233	4	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Yb<14>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7664	0.255	8	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Yb<15>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6370	0.252	2	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Yb<5>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9288	0.338	5	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Yb<8>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7193	0.357	3	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Zn<2>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2235	0.048	8	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Zn<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6490	0.332	3	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Zn<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9277	0.287	34	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Zr<10>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6637	0.232	3	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Zr<11>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8500	0.143	2	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Zr<12>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8153	0.228	6	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Zr<13>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1463	1.586	15	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Zr<6>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8182	0.370	21	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Zr<7>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.3367	0.613	4	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Zr<8>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7256	0.305	11	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{1|Zr<9>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2561	0.090	8	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0915	0.227	8	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0066	0.970	3665	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{2|Li<5>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8283	0.044	3	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{2|Mg<5>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2123	0.103	3	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{2|Mg<6>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4940	0.000	1	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(H)2{2|Mg<7>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6835	0.177	2	108.9854	0.864	6240	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HN)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HN)(H)2{2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1820	0.125	3	109.1820	0.016	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HO)(H)2{2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2450	0.000	1	109.1620	0.014	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HO)(H)2{2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0790	0.000	1	109.1620	0.014	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]HP)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]HP)(H)2{2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1740	0.000	1	109.1740	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.2405	0.039	2	108.2405	0.002	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|B<1>,1|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4760	0.000	1	108.4156	0.131	349	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|B<4>,1|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6203	0.172	3	108.4156	0.131	349	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|B<4>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.1450	0.000	1	108.4156	0.131	349	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.3205	0.322	2	108.4156	0.131	349	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4845	0.100	4	108.4156	0.131	349	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|W<6>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.2971	0.251	11	108.4156	0.131	349	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.4710	1.617	7	108.4156	0.131	349	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|C<3>,1|O<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8450	0.098	2	108.4156	0.131	349	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|C<3>,1|O<1>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5060	0.000	1	108.4156	0.131	349	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|C<3>,1|S<1>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4620	0.000	1	108.4156	0.131	349	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Co<5>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.4490	0.023	2	108.4156	0.131	349	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Fe<4>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.3110	0.170	3	108.4156	0.131	349	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Fe<6>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.3155	0.244	2	108.4156	0.131	349	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|H<1>,1|W<5>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.2272	0.339	4	108.4156	0.131	349	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|H<1>,1|W<6>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.2194	0.409	10	108.4156	0.131	349	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4480	0.143	2	108.4156	0.131	349	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.1585	0.115	2	108.4156	0.131	349	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Ir<4>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4781	0.159	7	108.4156	0.131	349	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Ir<6>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.8560	0.000	1	108.4156	0.131	349	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Ni<4>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5517	0.244	3	108.4156	0.131	349	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Ni<4>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4484	0.122	7	108.4156	0.131	349	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Pd<4>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4969	0.149	16	108.4156	0.131	349	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Pd<4>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.2381	0.357	17	108.4156	0.131	349	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Pd<5>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5380	0.090	4	108.4156	0.131	349	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Pt<4>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4653	0.215	72	108.4156	0.131	349	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Pt<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5690	0.000	1	108.4156	0.131	349	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Pt<4>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4465	0.257	57	108.4156	0.131	349	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Rh<4>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6074	0.140	20	108.4156	0.131	349	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Rh<5>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.1520	0.000	1	108.4156	0.131	349	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Rh<5>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.9320	0.000	1	108.4156	0.131	349	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Rh<8>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4380	0.247	2	108.4156	0.131	349	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Ru<6>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4508	0.186	48	108.4156	0.131	349	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Ru<6>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4317	0.183	23	108.4156	0.131	349	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Ru<7>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5607	0.131	4	108.4156	0.131	349	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Ru<8>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.0450	0.000	1	108.4156	0.131	349	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]CH)(H)2{1|Se<1>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.2253	0.230	6	108.4156	0.131	349	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2{1|Au<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.8340	0.567	3	108.6187	1.288	35	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2{1|B<1>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5870	0.000	1	108.6187	1.288	35	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.2885	0.154	4	108.6187	1.288	35	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2{1|B<4>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.8555	0.845	2	108.6187	1.288	35	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.8850	0.782	2	108.6187	1.288	35	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2{1|Pt<4>,1|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5690	0.147	2	108.6187	1.288	35	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2{1|Pt<4>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.3975	0.132	6	108.6187	1.288	35	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2{1|Rh<4>,1|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5535	0.281	2	108.6187	1.288	35	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2{1|Rh<4>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.9640	2.269	6	108.6187	1.288	35	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2{1|Rh<4>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5764	0.078	5	108.6187	1.288	35	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]P[5]HH)(H)2{1|Ru<6>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8180	0.081	2	108.6187	1.288	35	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]CH)(H)2{2|H<1>,2|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4600	0.000	1	108.6397	0.119	4	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]CH)(H)2{2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6997	0.396	3	108.6397	0.119	4	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]CS)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]CS)(H)2{1|O<1>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.3320	0.000	1	108.3320	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|Au<2>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5205	0.227	2	108.5377	0.399	78	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|B<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.8130	0.310	2	108.5377	0.399	78	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|B<6>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6375	0.102	4	108.5377	0.399	78	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6170	0.000	1	108.5377	0.399	78	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9000	0.000	1	108.5377	0.399	78	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|C<4>,1|H<1>,2|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6370	0.000	1	108.5377	0.399	78	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6585	0.163	2	108.5377	0.399	78	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|C<4>,1|O<1>,1|S<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.1140	0.000	1	108.5377	0.399	78	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	106.9020	0.000	1	108.5377	0.399	78	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|Fe<6>,1|O<1>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4135	0.322	2	108.5377	0.399	78	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|Ir<6>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5519	0.219	8	108.5377	0.399	78	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|Mo<6>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6925	0.046	2	108.5377	0.399	78	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|O<1>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7135	0.021	2	108.5377	0.399	78	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|Pd<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5980	0.000	1	108.5377	0.399	78	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|Pt<4>,1|Pt<5>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5165	0.162	2	108.5377	0.399	78	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|Pt<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.8164	0.487	5	108.5377	0.399	78	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|Pt<6>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6513	0.415	4	108.5377	0.399	78	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|Re<6>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5645	0.181	4	108.5377	0.399	78	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|Ru<6>,1|O<1>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5773	0.252	9	108.5377	0.399	78	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|Ru<6>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.3670	0.000	1	108.5377	0.399	78	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|Te<6>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5558	0.086	4	108.5377	0.399	78	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{1|Zn<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.4800	0.000	1	108.5377	0.399	78	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{2|H<1>,2|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6116	1.549	8	108.5377	0.399	78	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.3931	0.343	8	108.5377	0.399	78	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]S[5]HH)(H)2{2|Ru<6>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6495	0.077	2	108.5377	0.399	78	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|B<4>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9100	0.215	2	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|B<4>,1|N<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7367	0.374	3	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0170	0.000	1	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|Br<1>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7570	0.000	1	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|Br<1>,1|Se<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8580	0.000	1	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<2>,1|C<4>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0588	0.377	16	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<2>,1|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6210	0.000	1	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<2>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5992	0.155	28	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7320	0.000	1	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8050	0.187	6	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9443	0.084	3	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|C<4>,1|N<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9670	0.120	2	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7728	0.761	29	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.9031	2.439	19	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|H<1>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0117	0.023	3	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|H<1>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9090	0.000	1	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7570	0.000	1	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6975	0.049	2	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.2118	1.771	9	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|N<2>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7750	0.214	2	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|N<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8277	0.169	4	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9210	0.000	1	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8365	0.262	37	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7449	0.344	16	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|N<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6080	0.000	1	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4020	0.100	3	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6250	0.000	1	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6959	0.188	16	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4360	0.421	2	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|O<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6268	0.159	4	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|P<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8540	0.000	1	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|P<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4470	0.301	2	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,1|P<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7175	0.095	4	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9105	0.156	2	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5501	0.464	15	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	105.7410	2.493	2	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.2292	1.663	32	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<4>,1|F<1>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	106.5935	0.448	2	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9982	0.127	8	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6500	0.141	2	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9630	0.000	1	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7040	0.129	2	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<4>,1|O<1>,1|P<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.4825	0.059	2	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6321	0.179	8	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<4>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1930	0.000	1	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6070	0.517	46	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|Cl<1>,1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.4840	0.000	1	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|Cl<1>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1710	0.000	1	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|Cl<1>,1|Se<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9060	0.000	1	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|Co<6>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7390	0.160	2	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|Cu<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8655	0.076	2	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|Ge<2>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7965	0.431	2	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|Ge<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6775	0.298	2	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|H<1>,1|N<2>,1|P<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7090	0.576	2	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|H<1>,1|N<3>,1|P<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9225	0.091	2	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|H<1>,1|N<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7203	0.151	3	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7470	0.020	2	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7805	0.104	2	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|H<1>,1|O<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5470	0.213	3	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.2830	0.000	1	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|Ir<5>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8300	0.000	1	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|Li<3>,1|Li<4>,1|H<2>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7410	0.123	3	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|Mo<10>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9390	0.000	1	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|Mo<11>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9805	0.062	2	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|N<2>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5910	0.193	4	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|N<2>,1|P<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7810	0.000	1	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|N<2>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0730	0.036	4	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|N<2>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6861	0.674	23	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|N<2>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5000	0.000	1	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	110.2440	2.295	2	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|N<3>,1|P<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7847	0.245	24	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|N<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9342	0.148	5	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|N<3>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6099	0.337	60	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|N<4>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.1422	0.966	5	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|N<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7597	0.163	15	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|O<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.1430	3.246	3	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|O<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.8270	0.000	1	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|O<1>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6642	0.687	12	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|O<2>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7836	0.296	24	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|O<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7010	0.173	3	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|P<2>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0195	0.159	2	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|P<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6028	0.587	105	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|Pd<8>,2|C<5>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.4910	0.000	1	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|Rh<5>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8300	0.124	2	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|Rh<6>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6545	0.255	2	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|Ru<10>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6930	0.000	1	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|Ru<7>,1|C<4>,1|C<5>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7720	0.095	2	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|S<2>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8383	0.228	3	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|S<3>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8438	0.217	5	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|S<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6480	0.000	1	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|Si<4>,1|C<3>,1|H<1>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8190	0.000	1	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|Si<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0720	0.413	24	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|Si<5>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6030	0.313	3	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|Sn<2>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0065	0.258	2	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{1|Sn<5>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9565	0.173	2	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4747	0.293	19	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	106.6323	7.397	20	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8911	0.315	7	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{2|C<4>,2|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6390	0.000	1	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{2|H<1>,2|N<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8555	0.033	2	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{2|H<1>,2|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8854	0.231	14	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{2|H<1>,2|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9940	0.000	1	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{2|H<1>,2|P<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1150	0.000	1	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{2|H<1>,2|P<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5035	0.009	2	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{2|H<1>,2|S<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.0323	0.759	3	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0670	0.148	2	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.2275	0.549	2	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(H)2{4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6066	0.793	58	108.6041	1.883	854	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HI)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HI)(C[5]O[5]HH)(H)2{1|C<2>,1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1150	0.000	1	109.1150	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0200	0.000	1	108.9000	0.029	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(H)2{2|H<1>,2|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7800	0.000	1	108.9000	0.029	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]C[5]HS)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]C[5]HS)(H)2{4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2600	0.000	1	109.2600	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]N[5]CC)(H)2{1|O<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6930	0.000	1	108.6930	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]N[5]CH)(H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2740	1.044	2	110.0811	7.932	7	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]N[5]CH)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0670	0.000	1	110.0811	7.932	7	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6265	1.278	2	110.0811	7.932	7	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]N[5]CH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.4610	0.000	1	110.0811	7.932	7	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]N[5]CH)(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	116.2390	0.000	1	110.0811	7.932	7	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]N[5]HH)(H)2{1|Pd<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8700	0.000	1	112.4193	6.588	4	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]N[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	113.6023	1.218	3	112.4193	6.588	4	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]O[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]O[5]CC)(H)2{1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0663	0.082	3	109.0663	0.007	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]O[5]CH)(H)2{1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2680	0.000	1	109.2680	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]O[5]HH)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1160	0.000	1	108.8874	0.669	7	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]O[5]HH)(H)2{1|H<1>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2200	0.054	2	108.8874	0.669	7	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]O[5]HH)(H)2{1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6640	1.086	4	108.8874	0.669	7	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]S[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]S[5]HH)(H)2{1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6800	0.106	2	108.6800	0.011	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HN)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)2(H)2{1|N<3>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6570	0.105	2	108.8303	0.096	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HN)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HN)2(H)2{4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1770	0.000	1	108.8303	0.096	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]C[5]HS)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]C[5]HS)(H)2{4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0700	0.054	2	109.0700	0.003	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]CC)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4710	0.000	1	108.4710	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8878	0.086	5	109.0556	0.482	71	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0339	0.646	46	109.0556	0.482	71	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9436	0.121	7	109.0556	0.482	71	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	110.1590	1.679	2	109.0556	0.482	71	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|Co<6>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8360	0.096	2	109.0556	0.482	71	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9190	0.000	1	109.0556	0.482	71	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6960	0.100	2	109.0556	0.482	71	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{1|S<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8300	0.000	1	109.0556	0.482	71	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(H)2{4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.4422	1.429	5	109.0556	0.482	71	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2360	0.000	1	109.4286	1.674	11	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2735	0.340	2	109.4286	1.674	11	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	113.2840	0.000	1	109.4286	1.674	11	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0440	0.000	1	109.4286	1.674	11	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8430	0.000	2	109.4286	1.674	11	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0790	0.000	1	109.4286	1.674	11	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8810	0.000	1	109.4286	1.674	11	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9790	0.137	2	109.4286	1.674	11	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]CC)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7750	0.105	2	108.8805	0.019	4	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]CC)(H)2{1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9860	0.045	2	108.8805	0.019	4	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8470	0.000	1	109.2645	5.370	29	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2246	0.791	20	109.2645	5.370	29	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{1|H<1>,1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	112.4733	5.703	3	109.2645	5.370	29	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.3765	0.969	2	109.2645	5.370	29	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	104.8320	1.418	2	109.2645	5.370	29	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)2{2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.4930	0.000	1	109.2645	5.370	29	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(H)2{1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1387	0.219	3	109.1928	0.044	4	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(H)2{2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.3550	0.000	1	109.1928	0.044	4	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]HN)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]HN)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0915	0.147	4	109.0915	0.021	4	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0812	0.306	4	109.0812	0.094	4	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)2(H)2{1|Br<1>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4480	0.000	1	109.2274	1.430	5	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)2(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7450	0.000	1	109.2274	1.430	5	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)2(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8000	0.188	2	109.2274	1.430	5	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HO)2(H)2{2|H<1>,2|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	111.3440	0.000	1	109.2274	1.430	5	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HP)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HP)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9320	0.000	1	108.9320	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HP)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HP)(C[5]O[5]HH)(H)2{1|C<3>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1790	0.000	1	109.1790	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HS)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HS)(C[5]N[5]CH)(H)2{4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	103.2110	0.000	1	103.2110	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HS)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HS)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|S<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.3670	0.000	1	109.0370	0.049	4	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HS)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HS)(C[5]N[5]HH)(H)2{1|C<3>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9195	0.013	2	109.0370	0.049	4	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HS)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HS)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9420	0.000	1	109.0370	0.049	4	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HS)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HS)(C[5]O[5]CH)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9167	0.156	3	108.9167	0.024	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HS)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HS)(C[5]O[5]HH)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	111.7140	0.000	1	110.4735	3.078	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HS)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HS)(C[5]O[5]HH)(H)2{1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2330	0.000	1	110.4735	3.078	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HS)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]HS)2(H)2{4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6970	0.000	1	108.6970	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]II)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]II)(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0870	0.000	1	109.0870	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]IrH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]IrH)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9950	0.116	2	108.9950	0.013	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]MoC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]MoC)(C[5]C[5]HH)(H)2{3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9470	0.000	1	108.9470	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]MoH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]MoH)(C[5]C[5]HH)(H)2{3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8653	0.057	6	108.8653	0.003	6	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]N[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]C)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0630	0.000	1	108.9763	0.010	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]N[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]C)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9330	0.098	2	108.9763	0.010	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]N[5]C)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]C)(C[5]N[5]CH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0190	0.000	1	109.0190	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]N[5]C)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]C)(C[5]N[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7960	0.013	2	108.7960	0.000	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5,5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2700	0.000	2	109.2700	0.000	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|Al<5>,1|N<4>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8197	0.128	9	109.0082	4.247	95	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	112.2930	0.000	1	109.0082	4.247	95	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0291	0.114	8	109.0082	4.247	95	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1805	0.460	2	109.0082	4.247	95	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,2|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9500	0.167	3	109.0082	4.247	95	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8790	0.000	1	109.0082	4.247	95	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	104.9380	0.332	2	109.0082	4.247	95	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7185	0.001	2	109.0082	4.247	95	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9620	0.182	2	109.0082	4.247	95	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|Co<6>,1|N<4>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7280	0.000	1	109.0082	4.247	95	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|Fe<10>,2|H<1>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2062	0.779	5	109.0082	4.247	95	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|Fe<5>,1|N<4>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.7643	1.233	4	109.0082	4.247	95	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|Fe<6>,1|N<4>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7691	0.147	14	109.0082	4.247	95	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|Fe<7>,1|N<4>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8805	0.214	2	109.0082	4.247	95	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|Ga<4>,1|C<3>,4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8623	0.205	3	109.0082	4.247	95	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9890	0.072	2	109.0082	4.247	95	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7690	0.000	1	109.0082	4.247	95	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|Mg<5>,1|N<4>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1455	0.252	2	109.0082	4.247	95	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|Mn<6>,1|N<4>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7777	0.133	8	109.0082	4.247	95	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|Mo<6>,1|N<4>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8780	0.244	4	109.0082	4.247	95	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|N<3>,1|O<2>,1|S<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1320	0.000	1	109.0082	4.247	95	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9880	0.000	1	109.0082	4.247	95	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|N<4>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9640	0.198	2	109.0082	4.247	95	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	105.8990	0.000	1	109.0082	4.247	95	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|Ru<6>,1|N<4>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6355	0.026	2	109.0082	4.247	95	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|Zn<4>,2|N<3>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9730	0.000	1	109.0082	4.247	95	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{1|Zr<10>,1|C<4>,1|C<5>,1|N<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8070	0.000	1	109.0082	4.247	95	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>,2|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8590	0.000	1	109.0082	4.247	95	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0698	0.137	5	109.0082	4.247	95	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	119.7810	9.802	2	109.0082	4.247	95	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(H)2{2|N<3>,4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0385	0.218	2	109.0082	4.247	95	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HN)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HN)(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.4520	0.796	2	109.4520	0.634	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]N[5]CH)(H)2{1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6640	0.000	1	108.6640	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]N[6]O[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]N[6]O[5]H)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9600	0.000	1	108.9600	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]O[5]CH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0743	0.224	3	109.0743	0.050	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]S[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]S[5]HH)(H)2{1|O<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4230	0.000	1	108.4230	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(H)2{1|B<4>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6815	0.097	2	108.8604	0.052	14	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(H)2{1|B<4>,2|C<4>,4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7590	0.100	2	108.8604	0.052	14	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7160	0.000	1	108.8604	0.052	14	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1660	0.000	1	108.8604	0.052	14	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(H)2{1|S<4>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8573	0.218	7	108.8604	0.052	14	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2810	0.000	1	108.8604	0.052	14	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]N[6]H)(C[5]C[5]HS)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]N[6]H)(C[5]C[5]HS)(H)2{2|C<4>,4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7904	0.098	7	108.7904	0.010	7	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]NiH)(C[5]C[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]NiH)(C[5]C[5]CH)(H)2{1|Ni<6>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9660	0.000	1	108.9660	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5,6]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]O[5]C)(C[5]C[5,6]CH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9150	0.000	1	108.9150	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(H)2{1|Fe<10>,1|O<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9010	0.000	1	108.8060	0.124	20	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9890	0.074	3	108.8060	0.124	20	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0185	0.078	2	108.8060	0.124	20	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.4450	0.000	1	108.8060	0.124	20	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8153	0.116	3	108.8060	0.124	20	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(H)2{2|H<1>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8324	0.168	10	108.8060	0.124	20	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CC)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0940	0.000	1	109.0940	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1620	0.184	4	109.1620	0.034	4	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.3040	0.000	1	108.9368	0.504	13	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0930	0.000	1	108.9368	0.504	13	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0650	0.136	5	108.9368	0.504	13	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(H)2{1|O<2>,4|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7428	1.049	6	108.9368	0.504	13	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	110.0460	0.000	2	110.0460	0.000	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]O[5]O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]O[5]O)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8780	0.000	1	108.8780	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]P[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]P[5]H)(C[5]C[5]HH)(H)2{1|B<4>,1|P<4>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4920	0.000	1	108.6110	0.092	12	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]P[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]P[5]H)(C[5]C[5]HH)(H)2{1|P<3>,2|O<2>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9240	0.119	2	108.6110	0.092	12	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]P[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]P[5]H)(C[5]C[5]HH)(H)2{1|Pt<4>,1|P<4>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9975	0.128	2	108.6110	0.092	12	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]P[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]P[5]H)(C[5]C[5]HH)(H)2{1|Rh<4>,1|P<4>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4093	0.212	6	108.6110	0.092	12	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]P[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]P[5]H)(C[5]C[5]HH)(H)2{1|Ru<6>,1|P<4>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5410	0.000	1	108.6110	0.092	12	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]PdC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]PdC)(C[5]C[5]HH)(H)2{1|C<5>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.4890	1.266	2	107.4890	1.602	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]RhH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]RhH)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9560	0.097	4	108.9560	0.009	4	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]RuC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]RuC)(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9060	0.000	1	108.8123	0.029	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]RuC)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]RuC)(C[5]C[5]HH)(H)2{1|C<5>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7655	0.211	2	108.8123	0.029	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]RuH)(C[5]C[5]HP)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]RuH)(C[5]C[5]HP)(H)2{3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.3720	0.010	2	109.3720	0.000	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]RuH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]RuH)(C[5]O[5]HH)(H)2{1|Ru<8>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.8558	1.654	4	107.8558	2.736	4	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]SeH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]SeH)(C[5]C[5]HH)(H)2{1|Br<1>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8720	0.000	1	108.8845	0.000	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]SeH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]SeH)(C[5]C[5]HH)(H)2{1|Cl<1>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8970	0.000	1	108.8845	0.000	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]SeH)(C[5]O[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]SeH)(C[5]O[5]HO)(H)2{1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9380	0.004	2	108.9380	0.000	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]SiH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]SiH)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0447	0.350	21	109.0447	0.122	21	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]SnH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5]SnH)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5405	0.460	4	108.5405	0.211	4	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5a]2C[5])(C[5]C[5a]C[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]2C[5])(C[5]C[5a]C[5]C)(H)2{1|S<2>,2|O<1>,5|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.1850	0.000	1	108.1850	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5a]C[5]C)(C[5]C[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]C)(C[5]C[5]CC)(H)2{1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.2740	0.003	3	108.2740	0.000	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5a]C[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]C)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8300	0.000	1	108.6190	0.034	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5a]C[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]C)(C[5]C[5]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5135	0.019	2	108.6190	0.034	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5a]C[5]C)(C[5]C[6a]N[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]C)(C[5]C[6a]N[5]C)(H)2{2|H<1>,5|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6860	0.000	1	108.6860	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5a]C[5]C)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]C)(C[5]O[5]HH)(H)2{1|C<3>,1|O<1>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9170	0.087	3	108.9170	0.008	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]CH)(H)2{2|C<3>,2|H<1>,2|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7330	0.000	1	108.7330	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6830	0.000	1	108.6781	0.015	9	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|S<2>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6200	0.000	1	108.6781	0.015	9	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(H)2{1|N<3>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6347	0.164	4	108.6781	0.015	9	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7525	0.117	2	108.6781	0.015	9	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(H)2{3|C<3>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7560	0.000	1	108.6781	0.015	9	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HO)(H)2{2|C<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0050	0.037	2	109.0050	0.001	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[5]C[6a]O[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]H)(C[5]C[6a]O[5]C)(H)2{1|O<1>,4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1830	0.000	1	109.1830	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]H)(C[5]N[5]CH)(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7920	0.000	2	108.7920	0.000	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]H)(C[5]O[5]CH)(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1360	0.000	1	109.1757	0.001	4	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]H)(C[5]O[5]CH)(H)2{1|O<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1890	0.021	3	109.1757	0.001	4	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]H)(C[5]O[5]HH)(H)2{1|O<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1165	0.021	2	109.1165	0.000	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5a]C[5]N)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]N)(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8414	0.175	5	108.8414	0.031	5	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5a]N[5]C)(C[5]C[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]N[5]C)(C[5]C[5]CC)(H)2{1|N<3>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7340	0.000	1	108.7340	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5a]N[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]N[5]C)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4440	0.000	1	108.6360	0.074	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5a]N[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]N[5]C)(C[5]C[5]HH)(H)2{1|N<3>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8280	0.000	1	108.6360	0.074	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5a]N[5]H)(C[5]C[5]CO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]CO)(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7675	0.134	2	108.7675	0.018	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.5305	1.681	2	108.8707	2.646	13	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|S<2>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0510	0.059	2	108.8707	2.646	13	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7695	0.132	2	108.8707	2.646	13	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|N<2>,1|N<3>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.4465	1.221	2	108.8707	2.646	13	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,1|S<4>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.6920	2.301	4	108.8707	2.646	13	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	110.9560	0.000	1	108.8707	2.646	13	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5a]N[5]H)(C[5]O[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]N[5]H)(C[5]O[5]HO)(H)2{3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9900	0.000	1	108.9900	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5a]O[5]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]O[5]H)(C[5]C[5]CH)(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8620	0.000	1	109.0253	0.043	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5a]O[5]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5a]O[5]H)(C[5]C[5]CH)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1070	0.214	2	109.0253	0.043	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5x3,5x5,20x6]O[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5x3,5x5,20x6]O[5]H)(C[5]C[5]HH)(H)2{1|C<6>,2|H<1>,4|B<6>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7920	0.000	1	108.7920	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5x3,6x5,20x6]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[5x3,6x5,20x6]HH)2(H)2{6|B<6>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.1500	0.000	1	108.1500	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6,6]C[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6,6]C[5]C)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	102.6510	0.000	1	102.6510	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8670	0.000	1	108.5400	0.644	7	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	106.7440	0.000	1	108.5400	0.644	7	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9413	0.066	3	108.5400	0.644	7	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6725	0.050	2	108.5400	0.644	7	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6]N[5]H)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6]N[5]H)(C[5]O[5]CH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2777	0.041	3	109.2777	0.002	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6]O[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6]O[5]C)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1870	0.000	1	109.0755	0.025	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6]O[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6]O[5]C)(C[5]C[5]HH)(H)2{2|H<1>,3|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9640	0.000	1	109.0755	0.025	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6]O[5]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6]O[5]H)(C[5]C[5]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0875	0.026	2	109.0875	0.001	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0790	0.000	1	109.0987	0.080	4	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.5010	0.000	1	109.0987	0.080	4	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9075	0.066	2	109.0987	0.080	4	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6]O[5]H)(C[5]C[5]SeH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6]O[5]H)(C[5]C[5]SeH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	106.8060	0.000	1	106.8060	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]2C[5])(C[5]C[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]2C[5])(C[5]C[5]CH)(H)2{1|N<4>,3|H<1>,4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8330	0.000	1	108.8330	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]2C[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]2C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7650	0.000	1	108.7650	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]2C[5])(C[5]C[5]HN)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]2C[5])(C[5]C[5]HN)(H)2{3|H<1>,5|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7870	0.000	1	108.7870	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]2C[5])(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]2C[5])(C[5]N[5]CC)(H)2{1|Ir<8>,3|H<1>,4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	103.7710	0.000	1	103.7710	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]2C[5])(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]2C[5])(C[5]N[5]CH)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8410	0.000	1	108.7092	0.030	5	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]2C[5])(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]2C[5])(C[5]N[5]CH)(H)2{1|S<4>,2|H<1>,4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6570	0.310	2	108.7092	0.030	5	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]2C[5])(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]2C[5])(C[5]N[5]CH)(H)2{2|H<1>,5|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6955	0.006	2	108.7092	0.030	5	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]2C[5])(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]2C[5])(C[5]N[5]HH)(H)2{1|H<1>,1|O<1>,4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7930	0.000	1	108.7930	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]2C[5])(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]2C[5])(C[5]O[5]CH)(H)2{1|O<1>,4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9700	0.000	1	108.9700	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]2C[5])(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]2C[5])(C[5]O[5]HH)(H)2{1|O<1>,4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1775	0.105	2	109.1775	0.011	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]2N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]2N[5])(C[5]C[5]HH)(H)2{5|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0530	0.025	2	109.0530	0.001	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]2O[5])(C[5]C[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]2O[5])(C[5]C[5]CC)(H)2{1|H<1>,1|O<2>,4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7310	0.059	2	108.7310	0.004	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]2O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]2O[5])(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2110	0.000	1	109.2110	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]2O[5])(C[5]C[6]O[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]2O[5])(C[5]C[6]O[5]H)(H)2{1|C<4>,1|O<2>,5|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2900	0.000	1	109.2900	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]2Si[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]2Si[5])(C[5]C[5]HH)(H)2{1|N<3>,1|O<1>,6|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.9410	0.000	1	107.9410	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]2)(C[5]C[5]HH)(H)2{1|N<3>,2|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9610	0.000	1	108.9610	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]2)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]2)(C[5]N[5]HH)(H)2{1|O<1>,2|C<4>,4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9420	0.000	1	108.9420	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]C[3,5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]C[3,5]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.7390	0.000	1	107.7390	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]C[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]CC)(H)2{1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5580	0.000	1	108.5580	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]C[5]C[6]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]C[6]H)(H)2{4|C<3>,4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	104.4880	0.000	1	104.4880	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)2{1|N<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8370	0.129	3	108.8347	0.028	15	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8124	0.119	5	108.8347	0.028	15	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9028	0.191	6	108.8347	0.028	15	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)2{3|C<3>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5310	0.000	1	108.8347	0.028	15	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HO)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5170	0.000	1	108.5170	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]N[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]N[5]H)(H)2{2|H<1>,5|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.6313	1.936	3	109.6313	3.750	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]O[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]O[5]C)(H)2{1|O<1>,4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9890	0.000	1	108.9890	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]N[5]CC)(H)2{1|B<4>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.3200	0.000	1	108.9678	0.071	5	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]N[5]CC)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7100	0.000	1	108.9678	0.071	5	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]N[5]CC)(H)2{2|H<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9363	0.210	3	108.9678	0.071	5	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]N[5]CH)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6730	0.133	8	108.6730	0.018	8	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8827	0.134	4	108.8827	0.018	4	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]O[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]O[5]CC)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7820	0.047	2	108.7820	0.002	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]O[5]HH)(H)2{1|O<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0210	0.000	1	109.1175	0.019	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[5]O[5]HH)(H)2{3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2140	0.000	1	109.1175	0.019	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)2{1|C<2>,1|N<3>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7070	0.016	3	108.7714	0.062	9	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)2{1|C<4>,1|O<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0910	0.016	2	108.7714	0.062	9	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0150	0.000	1	108.7714	0.062	9	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4260	0.000	1	108.7714	0.062	9	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)2{1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7390	0.000	1	108.7714	0.062	9	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)2{3|C<3>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4600	0.000	1	108.7714	0.062	9	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2{1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9940	0.000	1	108.8032	0.044	6	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2{2|C<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8620	0.000	1	108.8032	0.044	6	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2{2|C<3>,2|H<1>,2|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6337	0.113	3	108.8032	0.044	6	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2{3|C<3>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0620	0.000	1	108.8032	0.044	6	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CN)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CN)(H)2{2|C<3>,4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0135	0.032	2	109.0135	0.001	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CO)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6020	0.034	2	108.6020	0.001	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]FF)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]FF)(H)2{1|O<2>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7630	0.000	1	108.7630	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8675	0.172	2	108.7801	0.296	50	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5125	0.054	2	108.7801	0.296	50	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0350	0.000	1	108.7801	0.296	50	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|S<4>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8208	0.062	4	108.7801	0.296	50	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8670	0.000	1	108.7801	0.296	50	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.3043	1.220	3	108.7801	0.296	50	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|N<4>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.4713	0.938	3	108.7801	0.296	50	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9530	0.000	1	108.7801	0.296	50	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|O<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7560	0.000	1	108.7801	0.296	50	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|Si<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5130	0.000	1	108.7801	0.296	50	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7630	0.000	1	108.7801	0.296	50	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8923	0.202	24	108.7801	0.296	50	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{2|H<1>,4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4230	0.000	1	108.7801	0.296	50	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{3|C<3>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7818	0.095	5	108.7801	0.296	50	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(H)2{1|C<4>,2|C<2>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6593	0.098	3	108.6746	0.015	5	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(H)2{1|C<4>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8380	0.000	1	108.6746	0.015	5	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5570	0.000	1	108.6746	0.015	5	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]NiH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]NiH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9010	0.000	1	108.9010	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(H)2{1|O<2>,2|H<1>,5|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.0074	1.161	5	108.2562	0.907	8	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(H)2{2|H<1>,6|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6710	0.258	3	108.2562	0.907	8	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(H)2{1|H<1>,6|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0127	0.065	3	109.0127	0.004	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]C)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]C)(H)2{1|O<1>,4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0000	0.061	2	109.0000	0.004	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(H)2{6|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0200	0.000	1	109.0200	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)(H)2{1|H<1>,4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7960	0.000	1	108.8125	0.001	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)(H)2{1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8290	0.000	1	108.8125	0.001	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CO)(H)2{1|H<1>,4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2280	0.000	1	109.2447	0.003	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CO)(H)2{5|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2530	0.069	2	109.2447	0.003	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(H)2{1|H<1>,4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9635	0.195	6	108.3265	2.950	8	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(H)2{1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7310	0.000	1	108.3265	2.950	8	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(H)2{5|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	104.1000	0.000	1	108.3265	2.950	8	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HO)(H)2{1|H<1>,1|S<4>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0030	0.215	2	109.0030	0.046	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]CH)(H)2{1|O<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0420	0.000	1	108.9415	0.020	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]CH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8410	0.000	1	108.9415	0.020	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8680	0.000	1	108.3102	1.729	4	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8850	0.000	1	108.3102	1.729	4	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(H)2{1|O<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	106.3470	0.000	1	108.3102	1.729	4	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(H)2{2|C<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1410	0.000	1	108.3102	1.729	4	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]P[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]P[5]HH)(H)2{1|Pd<4>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.2620	0.000	1	108.2620	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]S[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]S[5]HH)(H)2{1|F<1>,2|O<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5560	0.000	1	108.3814	0.089	5	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]S[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]S[5]HH)(H)2{1|H<1>,2|O<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6115	0.011	2	108.3814	0.089	5	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]S[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]S[5]HH)(H)2{2|C<3>,2|H<1>,2|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.0640	0.130	2	108.3814	0.089	5	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]N)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]N)(C[5]N[5]HH)(H)2{1|C<4>,1|N<2>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5310	0.000	1	108.8245	0.172	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]N)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]N)(C[5]N[5]HH)(H)2{3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1180	0.000	1	108.8245	0.172	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[5]C[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]CC)(H)2{1|C<4>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7710	0.000	1	108.6205	0.045	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[5]C[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]CC)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4700	0.000	1	108.6205	0.045	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6245	0.037	2	108.7980	0.041	4	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]HH)(H)2{3|C<3>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9715	0.030	2	108.7980	0.041	4	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]N[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]N[5]H)(H)2{1|C<4>,1|O<1>,4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7020	0.000	1	108.7020	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]O[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]O[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1895	0.383	2	109.1895	0.146	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(C[5]C[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]C)(C[5]C[5]CC)(H)2{2|H<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4775	0.039	2	108.4775	0.002	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(C[5]C[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]C)(C[5]C[5]CH)(H)2{2|H<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8520	0.000	1	108.8520	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(C[5]C[5]ClH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]C)(C[5]C[5]ClH)(H)2{2|H<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.8310	0.000	1	109.8310	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4570	3.217	2	109.1374	1.308	16	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0727	0.081	4	109.1374	1.308	16	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)2{1|O<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.7665	0.503	2	109.1374	1.308	16	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)2{1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5500	0.107	2	109.1374	1.308	16	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.3933	1.111	6	109.1374	1.308	16	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5,5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5,5]CC)(H)2{5|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7036	0.050	5	108.7036	0.002	5	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5,5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5,5]CH)(H)2{1|H<1>,4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2790	0.000	1	109.2790	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	110.1480	1.686	2	109.0145	0.421	15	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)2{1|C<4>,1|N<3>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8493	0.072	6	109.0145	0.421	15	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7340	0.083	2	109.0145	0.421	15	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)2{1|O<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9150	0.038	2	109.0145	0.421	15	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)2{2|H<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7940	0.021	2	109.0145	0.421	15	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)2{4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9400	0.000	1	109.0145	0.421	15	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(H)2{1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7730	0.000	1	108.8545	0.013	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(H)2{1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9360	0.000	1	108.8545	0.013	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CO)(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9536	0.062	8	108.8862	0.025	10	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CO)(H)2{1|O<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7100	0.000	1	108.8862	0.025	10	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CO)(H)2{1|S<4>,4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5230	0.000	1	108.8862	0.025	10	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]FF)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]FF)(H)2{1|C<2>,1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2320	0.000	1	109.2320	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]FH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]FH)(H)2{1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6285	0.054	2	108.6285	0.003	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7670	0.000	1	108.9866	0.272	75	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0290	0.000	1	108.9866	0.272	75	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6380	0.000	1	108.9866	0.272	75	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9677	0.226	3	108.9866	0.272	75	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8892	0.181	5	108.9866	0.272	75	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6940	0.000	1	108.9866	0.272	75	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1972	0.322	4	108.9866	0.272	75	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8988	0.192	17	108.9866	0.272	75	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8020	0.013	2	108.9866	0.272	75	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,1|S<4>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9140	0.000	1	108.9866	0.272	75	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|H<1>,4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2051	1.190	13	108.9866	0.272	75	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|Ir<8>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9220	0.244	4	108.9866	0.272	75	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|Ir<8>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8700	0.000	1	108.9866	0.272	75	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|O<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0150	0.000	1	108.9866	0.272	75	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|Rh<8>,2|H<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9535	0.273	4	108.9866	0.272	75	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|Rh<8>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7760	0.000	1	108.9866	0.272	75	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|S<3>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0050	0.071	3	108.9866	0.272	75	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0090	0.025	2	108.9866	0.272	75	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{2|C<3>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7550	0.000	1	108.9866	0.272	75	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0590	0.107	8	108.9866	0.272	75	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8430	0.000	1	108.9866	0.272	75	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HI)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HI)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8830	0.000	1	108.8830	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6770	0.000	1	108.7355	0.007	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(H)2{1|H<1>,4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7940	0.000	1	108.7355	0.007	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(H)2{1|N<2>,4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2020	0.000	1	109.1215	0.013	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(H)2{5|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0410	0.000	1	109.1215	0.013	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]HH)(H)2{1|C<4>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9890	0.000	1	108.9135	0.011	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]HH)(H)2{1|S<4>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8380	0.000	1	108.9135	0.011	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]CH)(H)2{3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9060	0.000	1	108.9060	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]O[5]CO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]CO)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9870	0.000	1	108.9870	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HO)(H)2{3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8960	0.051	2	108.8960	0.003	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]S[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]S[5]HH)(H)2{1|C<4>,2|C<3>,2|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6990	0.000	1	108.6990	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]N[5]O)(C[5]C[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]O)(C[5]C[5]CH)(H)2{1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6120	0.000	1	108.6120	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]O[5]C)(C[5]C[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]CC)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8450	0.109	3	108.8450	0.012	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]O[5]C)(C[5]C[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]CH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1553	0.155	3	109.1553	0.024	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1580	0.170	3	109.1208	0.025	5	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1930	0.000	1	109.1208	0.025	5	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(H)2{3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9370	0.000	1	109.1208	0.025	5	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[3,5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]H)(C[5]C[3,5]CC)(H)2{4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9870	0.000	1	108.9870	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]2H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]2H)(H)2{1|O<1>,5|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9360	0.000	1	108.9360	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]BrH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]BrH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0730	0.000	1	109.0730	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)(H)2{1|O<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1310	0.000	1	109.1310	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	114.6575	8.210	2	111.3674	25.874	5	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(H)2{1|O<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1740	0.044	3	111.3674	25.874	5	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CO)(H)2{1|O<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1400	0.000	1	109.1400	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]FS)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]FS)(H)2{1|O<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0170	0.000	1	109.0170	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2050	0.000	1	109.1417	0.026	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1100	0.216	2	109.1417	0.026	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HN)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HN)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2490	0.311	2	109.1987	0.056	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HN)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HN)(H)2{1|O<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0980	0.000	1	109.1987	0.056	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.4837	1.262	12	109.4837	1.592	12	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[6]N[5]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]H)(C[5]C[6]N[5]H)(H)2{2|C<3>,4|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1440	0.000	1	109.1440	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]H)(C[5]N[5]CH)(H)2{1|S<4>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7860	0.061	2	108.7860	0.004	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]H)(C[5]N[5]HH)(H)2{3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0910	0.000	1	109.0910	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]O[5]O)(C[5]O[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]O)(C[5]O[5]CC)(H)2{2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0515	0.076	2	109.0515	0.006	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2{1|B<4>,1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5680	0.133	2	108.4911	0.055	43	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5957	0.181	8	108.4911	0.055	43	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5555	0.076	2	108.4911	0.055	43	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2{1|Ni<4>,1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4900	0.123	4	108.4911	0.055	43	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2{1|Pt<4>,1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4653	0.198	3	108.4911	0.055	43	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2{1|Rh<4>,1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4389	0.287	15	108.4911	0.055	43	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2{1|Rh<4>,1|H<1>,4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5700	0.291	2	108.4911	0.055	43	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2{1|Rh<6>,1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.2963	0.363	3	108.4911	0.055	43	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2{1|Ru<7>,1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5343	0.218	4	108.4911	0.055	43	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CC)(H)2{1|N<2>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6610	0.000	1	108.5590	0.015	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CC)(H)2{3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5080	0.117	2	108.5590	0.015	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4920	0.000	1	108.4920	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]S[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]S[5]H)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>,2|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7550	0.000	1	108.7550	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]Si[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]C[6a]Si[5]C[6])(C[5]C[5]HH)(H)2{1|N<3>,1|O<1>,6|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.0590	0.000	1	108.0590	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]Ge[5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]Ge[5]Si2)(C[5]C[5]HH)(H)2{1|Ge<2>,2|Si<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.0585	0.967	4	107.6984	26.613	8	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]Ge[5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]Ge[5]Si2)(C[5]C[5]HH)(H)2{1|Si<2>,2|Si<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0510	0.105	2	107.6984	26.613	8	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]Ge[5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]Ge[5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,2|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.6256	13.348	2	107.6984	26.613	8	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[4,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[4,5]HH)(C[5]C[5]HH)(H)2{1|Ga<4>,1|Si<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8655	0.107	2	108.7656	0.015	7	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[4,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[4,5]HH)(C[5]C[5]HH)(H)2{2|B<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7256	0.110	5	108.7656	0.015	7	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5,6]HH)(C[5]C[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5,5,6]HH)(C[5]C[5,5]HH)(H)2{1|In<5>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7500	0.000	1	108.7500	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5,5,6]HH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.5731	2.036	11	109.5731	4.147	11	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5]CH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5,5]CH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9410	0.000	1	108.9410	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5]C[6a]C)(C[5]N[5,5]C[6a]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5,5]C[6a]C)(C[5]N[5,5]C[6a]H)(H)2{1|C<4>,5|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7205	0.032	2	108.7205	0.001	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]CH)(H)2{1|S<2>,4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8010	0.130	4	108.8010	0.017	4	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH)(H)2{1|C<4>,4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6705	0.032	2	108.6602	0.030	5	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH)(H)2{4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6533	0.244	3	108.6602	0.030	5	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5,5]HH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8582	1.543	55	108.8582	2.379	55	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5,5]HH)2(H)2{1|Fe<10>,2|B<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9875	0.045	2	108.9190	0.023	5	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5,5]HH)2(H)2{1|Ru<10>,2|B<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0740	0.000	1	108.9190	0.023	5	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5,5]HH)2(H)2{2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7730	0.110	2	108.9190	0.023	5	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5]N[5]H)(C[5]C[5,5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5,5]N[5]H)(C[5]C[5,5]CC)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6963	0.093	3	108.6963	0.009	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]HH)(H)2{4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5135	0.025	2	108.5135	0.001	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]HO)(H)2{4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.1320	0.000	1	108.1320	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,5a]C[6a]H)(C[5]N[5,5a]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5,5a]C[6a]H)(C[5]N[5,5a]CC)(H)2{4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9130	0.000	1	108.9130	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5,6]C[5]H)(C[5]C[5]HH)(H)2{1|Ga<4>,1|N<3>,2|C<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7040	0.000	1	108.7040	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6]C[5a]C)(C[5]C[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5,6]C[5a]C)(C[5]C[5,6]HH)(H)2{1|C<4>,1|N<2>,2|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8290	0.000	1	108.8290	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0510	0.000	1	108.6902	0.382	4	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9715	0.066	2	108.6902	0.382	4	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.7670	0.000	1	108.6902	0.382	4	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]N[6]H)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]N[6]H)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6940	0.000	1	108.6940	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5,6]HH)(C[5]C[5]HH)(H)2{1|B<4>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9720	0.132	2	108.9675	0.553	12	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5,6]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	110.3675	0.978	2	108.9675	0.553	12	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5,6]HH)(C[5]C[5]HH)(H)2{1|Ga<4>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8710	0.000	1	108.9675	0.553	12	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5,6]HH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5800	0.147	7	108.9675	0.553	12	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6]N[5]H)(C[5]C[5,6]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5,6]N[5]H)(C[5]C[5,6]CC)(H)2{1|H<1>,4|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.4850	0.000	1	109.4850	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5]CC)(C[5]N[5]CH)(H)2{2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	104.1100	0.000	1	104.1100	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5]CC)(C[5]N[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2430	0.000	1	109.2430	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5]CC)(C[5]O[5]HH)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9320	0.000	1	108.9320	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CC)(C[5]O[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5]CC)(C[5]O[5]HO)(H)2{1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	106.6010	5.388	3	106.6010	29.029	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(C[5]O[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5]CH)(C[5]O[5]CH)(H)2{1|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1415	0.029	2	109.1415	0.001	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5]CH)(C[5]O[5]HH)(H)2{1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0700	0.000	1	109.0700	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]CH)(C[5]O[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5]CH)(C[5]O[5]HO)(H)2{1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0075	0.030	2	109.0075	0.001	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]P[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5]HH)(C[5]P[5]HH)(H)2{1|P<4>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6240	0.000	1	108.6240	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(C[5]S[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5]HH)(C[5]S[5]CH)(H)2{1|C<4>,2|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.3000	0.000	1	108.3000	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5]HH)2(H)2{2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	104.1779	8.149	3	104.1779	66.413	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]NiH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5]NiH)(C[5]C[5]HH)(H)2{2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1390	0.000	1	109.1390	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]O[5]C)(C[5]N[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5]O[5]C)(C[5]N[5]CC)(H)2{3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8380	0.000	1	108.8380	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]O[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5]O[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1190	0.000	1	109.1190	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2818	0.418	10	109.2818	0.175	10	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]SiH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5]SiH)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.9785	1.399	2	110.9597	1.492	6	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]SiH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5]SiH)(C[5]C[5]HH)(H)2{3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	110.5960	0.000	1	110.9597	1.492	6	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]SiH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5]SiH)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	111.7350	0.906	3	110.9597	1.492	6	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]SnH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5]SnH)(C[5]C[5]HH)(H)2{2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.9210	0.000	1	109.9210	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]TiN)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5]TiN)(C[5]C[5]HH)(H)2{2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0912	0.734	11	109.0912	0.539	11	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5a]C[5]C)(C[5]C[5]CC)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5a]C[5]C)(C[5]C[5]CC)(H)2{3|C<3>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9540	0.000	1	108.9540	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6620	0.000	1	108.6620	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|S<4>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6330	0.000	1	108.7527	0.017	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HH)(H)2{1|O<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7320	0.000	1	108.7527	0.017	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8930	0.000	1	108.7527	0.017	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8495	0.207	2	109.1860	0.361	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HO)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.8590	0.000	1	109.1860	0.361	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HS)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HS)(H)2{1|C<3>,1|N<2>,4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2930	0.000	1	109.2930	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5a]C[5]H)(C[5]N[5]CH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5a]C[5]H)(C[5]N[5]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1270	0.000	1	109.1270	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5a]C[5]H)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5a]C[5]H)(C[5]O[5]HH)(H)2{1|C<3>,1|N<2>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1565	0.056	4	109.0967	0.013	6	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5a]C[5]H)(C[5]O[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5a]C[5]H)(C[5]O[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9770	0.107	2	109.0967	0.013	6	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5a]N[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|N<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9010	0.000	1	108.9280	0.001	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5a]N[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5a]N[5]H)(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9550	0.000	1	108.9280	0.001	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9680	0.000	1	108.9680	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HI)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HI)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1190	0.000	1	109.1190	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0385	0.189	15	109.1908	0.160	67	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2067	0.387	51	109.1908	0.160	67	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	110.6640	0.000	1	109.1908	0.160	67	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[6]O[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[6]O[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.2065	0.014	4	109.2065	0.000	4	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(H)2{1|C<2>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	103.1720	0.000	1	109.7285	17.203	10	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1417	0.051	3	109.7285	17.203	10	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	111.1147	4.456	6	109.7285	17.203	10	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[6a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[6a]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|F<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.7920	0.000	1	109.2490	0.157	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[6a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[6a]C[5]H)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.4775	0.008	2	109.2490	0.157	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[3,5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[6a]O[5]H)(C[5]C[3,5]HO)(H)2{2|C<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8890	0.008	2	108.8890	0.000	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]CO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]CO)(H)2{2|C<3>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8050	0.023	2	108.8050	0.001	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.1770	0.088	4	109.1770	0.008	4	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HN)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HN)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	110.2682	2.239	4	110.2682	5.012	4	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0263	0.212	3	109.0952	1.220	60	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0988	1.133	57	109.0952	1.220	60	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HS)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HS)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.6450	0.148	2	109.6450	0.022	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[6a]S[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[6a]S[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8020	0.000	1	108.2930	0.518	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[6a]S[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[6a]S[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.7840	0.000	1	108.2930	0.518	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[6a]Se[5]H)(C[5]C[5]HO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[6a]Se[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4580	0.000	1	108.4580	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]CC)(C[5]O[5]CO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]O[5]CC)(C[5]O[5]CO)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.3680	0.372	2	109.3680	0.138	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]CC)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]O[5]CC)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.3110	0.000	1	109.3110	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]CO)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]O[5]CO)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	110.8645	2.532	2	110.8645	6.412	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(C[5]P[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]O[5]HH)(C[5]P[5]HH)(H)2{1|C<4>,1|W<6>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.5340	0.000	1	108.5340	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(C[5]S[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]O[5]HH)(C[5]S[5]HH)(H)2{2|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6432	0.136	4	108.6432	0.018	4	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]P[5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]P[5]HH)2(H)2{2|C<3>,2|W<6>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.7700	0.000	1	107.7700	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]P[5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]P[5]Si2)(C[5]C[5]HH)(H)2{1|Cl<1>,2|Si<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.3890	0.000	1	108.1647	0.009	19	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]P[5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]P[5]Si2)(C[5]C[5]HH)(H)2{1|Fe<4>,2|Si<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.1377	0.046	4	108.1647	0.009	19	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]P[5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]P[5]Si2)(C[5]C[5]HH)(H)2{1|Fe<5>,2|Si<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.2015	0.094	2	108.1647	0.009	19	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]P[5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]P[5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.1008	0.068	4	108.1647	0.009	19	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]P[5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]P[5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.1729	0.091	8	108.1647	0.009	19	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]S[5]CC)(C[5]S[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]S[5]CC)(C[5]S[5]HH)(H)2{2|Ru<6>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	106.8020	0.000	1	106.8020	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]S[5]CH)(C[5]S[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]S[5]CH)(C[5]S[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.0790	0.000	1	108.0790	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]Se[5,5]HH)2(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]Se[5,5]HH)2(H)2{2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.7520	0.000	1	107.7520	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]Se[5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]Se[5]HH)(C[5]C[5]HH)(H)2{1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.6660	0.028	4	107.6660	0.001	4	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]Si[3,5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]Si[3,5]Si2)(C[5]C[5]HH)(H)2{2|Si<3>,2|Si<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.9850	0.038	2	108.0080	0.013	24	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]Si[3,5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]Si[3,5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|C<4>,1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.9587	0.107	13	108.0080	0.013	24	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]Si[3,5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]Si[3,5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|C<4>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.0320	0.000	1	108.0080	0.013	24	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]Si[3,5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]Si[3,5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.9800	0.000	1	108.0080	0.013	24	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]Si[3,5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]Si[3,5]Si2)(C[5]C[5]HH)(H)2{3|Si<4>,1|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.1066	0.089	7	108.0080	0.013	24	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]Si[3x5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]Si[3x5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,2|C<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.9770	0.034	2	107.9770	0.001	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]Si[4,5,5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]Si[4,5,5]Si2)(C[5]C[5]HH)(H)2{2|Si<3>,2|Si<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.9765	0.193	2	107.9765	0.037	2	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]Si[4,5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]Si[4,5]Si2)(C[5]C[5]HH)(H)2{2|Si<2>,2|Si<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.1215	0.151	2	107.1890	3.715	20	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]Si[4,5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]Si[4,5]Si2)(C[5]C[5]HH)(H)2{2|Si<3>,2|Si<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.0289	0.062	7	107.1890	3.715	20	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]Si[4,5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]Si[4,5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|C<3>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.8415	0.059	2	107.1890	3.715	20	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]Si[4,5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]Si[4,5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,2|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	104.6056	2.541	5	107.1890	3.715	20	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]Si[4,5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]Si[4,5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,2|S<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.0420	0.035	2	107.1890	3.715	20	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]Si[4,5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]Si[4,5]Si2)(C[5]C[5]HH)(H)2{4|Si<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.2705	0.019	2	107.1890	3.715	20	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]Si[5,5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]Si[5,5]HH)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.4720	0.000	1	107.4720	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]Si[5,5]Si2)(C[5]C[5,5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]Si[5,5]Si2)(C[5]C[5,5]HH)(H)2{2|Si<4>,1|C<3>,1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.9940	0.000	1	107.9940	0.000	1	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]Si[5,5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]Si[5,5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|C<3>,1|N<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.0415	0.006	2	108.0854	0.006	10	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]Si[5,5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]Si[5,5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|C<3>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.0750	0.116	2	108.0854	0.006	10	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]Si[5,5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]Si[5,5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|C<4>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.0210	0.061	2	108.0854	0.006	10	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]Si[5,5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]Si[5,5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,2|S<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.1448	0.056	4	108.0854	0.006	10	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]Si[5,6]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]Si[5,6]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|C<3>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.1390	0.188	2	108.1159	0.010	10	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]Si[5,6]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]Si[5,6]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|C<4>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.1260	0.030	2	108.1159	0.010	10	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]Si[5,6]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]Si[5,6]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|N<2>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.9865	0.054	2	108.1159	0.010	10	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]Si[5,6]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]Si[5,6]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,2|C<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.1640	0.046	4	108.1159	0.010	10	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]Si[5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]Si[5]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.9730	0.000	1	108.3116	0.042	5	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]Si[5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]Si[5]HH)(C[5]C[5]HH)(H)2{2|Cl<1>,2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.3330	0.028	2	108.3116	0.042	5	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]Si[5]HH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]Si[5]HH)(C[5]C[5]HH)(H)2{2|H<1>,2|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.4595	0.077	2	108.3116	0.042	5	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{1|Cl<1>,3|Si<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.1026	0.078	9	107.9569	0.290	69	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{1|Ni<3>,2|Si<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.0995	0.139	2	107.9569	0.290	69	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{1|Ni<7>,2|Si<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.1710	0.102	2	107.9569	0.290	69	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{1|Pd<3>,2|Si<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.1580	0.007	2	107.9569	0.290	69	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{1|Pt<3>,2|Si<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.1045	0.060	2	107.9569	0.290	69	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{1|Pt<5>,2|Si<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.0780	0.095	2	107.9569	0.290	69	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{1|Se<1>,2|Si<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.1355	0.221	2	107.9569	0.290	69	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{1|Si<2>,2|Si<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.9375	0.156	2	107.9569	0.290	69	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{1|Si<3>,2|Si<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.9503	0.108	23	107.9569	0.290	69	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{1|Te<1>,2|Si<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8215	0.159	2	107.9569	0.290	69	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|C<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.8300	0.040	2	107.9569	0.290	69	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|C<3>,1|N<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.9975	0.006	2	107.9569	0.290	69	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|H<1>,1|N<3>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.0210	0.028	2	107.9569	0.290	69	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|N<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.0418	0.080	6	107.9569	0.290	69	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|O<1>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.1080	0.051	2	107.9569	0.290	69	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|S<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.0065	0.042	2	107.9569	0.290	69	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	105.0955	0.810	2	107.9569	0.290	69	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{3|Si<4>,1|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.9330	0.010	2	107.9569	0.290	69	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{3|Si<4>,1|O<2>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	107.9990	0.000	1	107.9569	0.290	69	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]Si[6]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]Si[6]C[5]H)(C[5]C[5]HH)(H)2{3|O<2>,4|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.9187	0.079	3	108.9187	0.006	3	108.8486	1.221	15721	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]B[5]HH)(N[5]B[5]CC)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]B[5]HH)(N[5]B[5]CC)(H)2{1|I<1>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.3720	0.000	1	108.3720	0.000	1	109.1965	1.380	395	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3,5]C[6a]H)(N[5]C[3,5]CH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[3,5]C[6a]H)(N[5]C[3,5]CH)(H)2{2|C<3>,3|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7870	0.000	1	108.7870	0.000	1	109.1965	1.380	395	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[4,5]HH)(N[5]C[4,5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[4,5]HH)(N[5]C[4,5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2440	0.000	1	109.2440	0.000	1	109.1965	1.380	395	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]CC)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]CC)(H)2{1|S<2>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9590	0.000	1	108.9590	0.000	1	109.1965	1.380	395	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]CH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0650	0.000	1	109.0650	0.000	1	109.1965	1.380	395	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]CO)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]CO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9030	0.212	2	108.9030	0.045	2	109.1965	1.380	395	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2880	0.000	1	109.2880	0.000	1	109.1965	1.380	395	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,5]HH)(N[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.7140	0.000	1	109.7140	0.000	1	109.1965	1.380	395	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(H)2{1|Br<1>,1|H<1>,2|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7790	0.000	1	109.2393	1.631	6	109.1965	1.380	395	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(H)2{1|C<2>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7600	0.000	1	109.2393	1.631	6	109.1965	1.380	395	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.5500	0.000	1	109.2393	1.631	6	109.1965	1.380	395	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.6500	0.000	1	109.2393	1.631	6	109.1965	1.380	395	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(H)2{1|C<4>,1|S<4>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8600	0.000	1	109.2393	1.631	6	109.1965	1.380	395	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	111.8370	0.000	1	109.2393	1.631	6	109.1965	1.380	395	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	111.9350	0.000	1	111.9350	0.000	1	109.1965	1.380	395	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]BH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]BH)(H)2{2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.6370	0.000	1	108.6370	0.000	1	109.1965	1.380	395	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]2H)(N[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]2H)(N[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8200	0.024	2	108.8200	0.001	2	109.1965	1.380	395	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8520	0.000	1	108.7830	0.010	2	109.1965	1.380	395	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7140	0.000	1	108.7830	0.010	2	109.1965	1.380	395	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CO)(N[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]CO)(N[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0070	0.000	1	109.0070	0.000	1	109.1965	1.380	395	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]FH)(N[5]C[5]CC)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]FH)(N[5]C[5]CC)(H)2{4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8150	0.056	3	108.8150	0.003	3	109.1965	1.380	395	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]FH)(N[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]FH)(N[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	112.4350	0.000	1	109.5000	2.698	5	109.1965	1.380	395	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]FH)(N[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]FH)(N[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7662	0.088	4	109.5000	2.698	5	109.1965	1.380	395	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]B[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]B[5]HH)(H)2{1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	106.7290	2.807	2	106.7290	7.880	2	109.1965	1.380	395	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]2H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]2H)(H)2{1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	110.2762	1.963	6	110.0850	3.466	7	109.1965	1.380	395	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]2H)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]2H)(H)2{2|C<4>,4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9380	0.000	1	110.0850	3.466	7	109.1965	1.380	395	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]BB)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]BB)(H)2{4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7270	0.184	2	108.7270	0.034	2	109.1965	1.380	395	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]BC)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]BC)(H)2{4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7095	0.181	4	108.7095	0.033	4	109.1965	1.380	395	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]BH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]BH)(H)2{4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7585	0.044	4	108.7585	0.002	4	109.1965	1.380	395	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.4400	0.000	1	109.1695	1.110	111	109.1965	1.380	395	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8935	0.111	2	109.1695	1.110	111	109.1965	1.380	395	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2{1|F<1>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7213	0.254	3	109.1695	1.110	111	109.1965	1.380	395	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2{4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1850	1.079	105	109.1695	1.110	111	109.1965	1.380	395	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.6750	0.000	1	108.9911	0.391	83	109.1965	1.380	395	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8872	0.203	9	108.9911	0.391	83	109.1965	1.380	395	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.3850	0.802	7	108.9911	0.391	83	109.1965	1.380	395	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.5965	0.023	2	108.9911	0.391	83	109.1965	1.380	395	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9798	0.645	64	108.9911	0.391	83	109.1965	1.380	395	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]CO)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]CO)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0310	0.136	3	109.0310	0.018	3	109.1965	1.380	395	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0507	0.179	4	109.1156	1.226	129	109.1965	1.380	395	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9335	0.683	53	109.1156	1.226	129	109.1965	1.380	395	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0425	0.499	14	109.1156	1.226	129	109.1965	1.380	395	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2{1|F<1>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1943	0.304	3	109.1156	1.226	129	109.1965	1.380	395	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2{1|N<4>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	113.8260	2.149	4	109.1156	1.226	129	109.1965	1.380	395	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2{1|Si<4>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.5655	1.840	4	109.1156	1.226	129	109.1965	1.380	395	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2{2|H<1>,2|P<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	110.1957	0.735	3	109.1156	1.226	129	109.1965	1.380	395	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9068	0.396	44	109.1156	1.226	129	109.1965	1.380	395	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HN)(N[5]C[5]CH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HN)(N[5]C[5]CH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.5100	0.000	1	109.5100	0.000	1	109.1965	1.380	395	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HN)(N[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HN)(N[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	114.5395	0.187	4	114.5395	0.035	4	109.1965	1.380	395	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]CH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]CH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	111.6930	0.000	1	111.6930	0.000	1	109.1965	1.380	395	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9537	0.136	3	109.5550	1.459	4	109.1965	1.380	395	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HO)(N[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	111.3590	0.000	1	109.5550	1.459	4	109.1965	1.380	395	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HS)(N[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[5]HS)(N[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	111.7140	0.000	1	111.7140	0.000	1	109.1965	1.380	395	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]2C[5])(N[5]C[5]IrH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]2C[5])(N[5]C[5]IrH)(H)2{2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	110.2300	0.000	1	110.2300	0.000	1	109.1965	1.380	395	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]CH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.6940	0.000	1	108.6940	0.000	1	109.1965	1.380	395	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]CC)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]CC)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	110.0260	1.277	4	110.0260	1.632	4	109.1965	1.380	395	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5]HH)(N[5]C[5]HH)(H)2{2|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1080	0.000	1	109.1080	0.000	1	109.1965	1.380	395	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5a]C[5]H)(N[5]C[5]CH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]N[5a]C[5]H)(N[5]C[5]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	112.1950	0.000	1	112.1950	0.000	1	109.1965	1.380	395	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HH)(N[5]B[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](C[5]O[5]HH)(N[5]B[5]HH)(H)2{2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1170	0.000	1	109.1170	0.000	1	109.1965	1.380	395	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:P[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(P[5]N[5]CW)(H)2	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	C[5](C[5]C[5]CH)(P[5]N[5]CW)(H)2{1|N<3>}	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	108.8270	0.000	1	108.8270	0.000	1	108.3574	0.342	11	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:P[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(P[5]B[5]CC)(H)2	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	C[5](C[5]C[5]HH)(P[5]B[5]CC)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	108.5580	0.000	1	108.5580	0.000	1	108.3574	0.342	11	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:P[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(P[5]C[5]BC)(H)2	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	C[5](C[5]C[5]HH)(P[5]C[5]BC)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	107.6235	1.165	2	107.6235	1.356	2	108.3574	0.342	11	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:P[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(P[5]O[5]CW)(H)2	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	C[5](C[5]C[5]HH)(P[5]O[5]CW)(H)2{2|H<1>}	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	109.1170	0.000	1	109.1170	0.000	1	108.3574	0.342	11	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:P[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]CC)(P[5]B[5]CC)(H)2	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	C[5](C[5]O[5]CC)(P[5]B[5]CC)(H)2{2|C<3>}	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	108.3740	0.000	1	108.3740	0.000	1	108.3574	0.342	11	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:P[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]P[5]HH)(P[5]P[5]CC)(H)2	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	C[5](C[5]P[5]HH)(P[5]P[5]CC)(H)2{3|C<4>}	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	108.3616	0.194	5	108.3616	0.038	5	108.3574	0.342	11	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[3,5]HH)(S[5]N[3,5]OO)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[3,5]HH)(S[5]N[3,5]OO)(H)2{1|C<3>,1|C<4>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	109.1340	0.000	1	109.1340	0.000	1	109.6825	5.113	52	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(S[5]C[5,5]OO)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5,5]CH)(S[5]C[5,5]OO)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	111.7790	0.000	1	111.7790	0.000	1	109.6825	5.113	52	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(S[5]C[5,5]OO)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5,5]HH)(S[5]C[5,5]OO)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.8610	0.000	1	108.8610	0.000	1	109.6825	5.113	52	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HN)(S[5]C[5,5]OO)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5,5]HN)(S[5]C[5,5]OO)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	109.2100	0.000	1	109.2100	0.000	1	109.6825	5.113	52	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HO)(S[5]C[5,5]OO)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5,5]HO)(S[5]C[5,5]OO)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	111.7510	2.517	2	111.7510	6.337	2	109.6825	5.113	52	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(S[5]C[5,6]OO)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5,6]HH)(S[5]C[5,6]OO)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.7720	0.000	1	108.6147	0.019	6	109.6825	5.113	52	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(S[5]C[5,6]OO)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5,6]HH)(S[5]C[5,6]OO)(H)2{1|C<4>,1|N<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.6590	0.000	1	108.6147	0.019	6	109.6825	5.113	52	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(S[5]C[5,6]OO)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5,6]HH)(S[5]C[5,6]OO)(H)2{1|C<4>,1|O<2>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.5643	0.136	4	108.6147	0.019	6	109.6825	5.113	52	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HH)(S[5]N[5,6]OO)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5,6]HH)(S[5]N[5,6]OO)(H)2{1|C<3>,2|C<4>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	110.1880	0.423	2	110.1880	0.179	2	109.6825	5.113	52	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]HH)(S[5]C[5,6a]OO)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5,6a]HH)(S[5]C[5,6a]OO)(H)2{1|C<3>,1|N<2>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.2610	0.000	1	108.2610	0.000	1	109.6825	5.113	52	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(S[5]C[5]OO)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]CH)(S[5]C[5]OO)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	109.0110	0.000	1	108.9347	0.009	3	109.6825	5.113	52	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(S[5]C[5]OO)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]CH)(S[5]C[5]OO)(H)2{1|O<2>,3|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.8965	0.101	2	108.9347	0.009	3	109.6825	5.113	52	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(S[5]N[5]CO)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]CH)(S[5]N[5]CO)(H)2{1|O<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	117.8100	0.000	1	117.8100	0.000	1	109.6825	5.113	52	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]ClH)(S[5]C[5]OO)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]ClH)(S[5]C[5]OO)(H)2{1|O<2>,3|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.6790	0.000	2	108.6790	0.000	2	109.6825	5.113	52	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(S[5]C[5]OO)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HH)(S[5]C[5]OO)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.5985	0.054	2	108.8213	0.027	15	109.6825	5.113	52	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(S[5]C[5]OO)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HH)(S[5]C[5]OO)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.9740	0.000	1	108.8213	0.027	15	109.6825	5.113	52	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(S[5]C[5]OO)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HH)(S[5]C[5]OO)(H)2{1|F<1>,1|H<1>,2|C<3>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.9190	0.000	1	108.8213	0.027	15	109.6825	5.113	52	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(S[5]C[5]OO)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HH)(S[5]C[5]OO)(H)2{2|C<3>,2|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	109.0060	0.028	2	108.8213	0.027	15	109.6825	5.113	52	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(S[5]C[5]OO)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HH)(S[5]C[5]OO)(H)2{4|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.8019	0.145	9	108.8213	0.027	15	109.6825	5.113	52	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(S[5]N[5]OO)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HH)(S[5]N[5]OO)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.8640	0.000	1	108.8640	0.000	1	109.6825	5.113	52	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(S[5]O[5]OO)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HH)(S[5]O[5]OO)(H)2{2|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	109.2085	0.134	2	109.2085	0.018	2	109.6825	5.113	52	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HN)(S[5]C[5]OO)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HN)(S[5]C[5]OO)(H)2{1|Br<1>,1|C<4>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.5950	0.000	1	108.5950	0.000	1	109.6825	5.113	52	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(S[5]C[5]OO)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HO)(S[5]C[5]OO)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.8840	0.000	1	108.6400	0.019	5	109.6825	5.113	52	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(S[5]C[5]OO)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HO)(S[5]C[5]OO)(H)2{1|Cl<1>,3|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.5810	0.000	2	108.6400	0.019	5	109.6825	5.113	52	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(S[5]C[5]OO)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[5]HO)(S[5]C[5]OO)(H)2{2|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.5770	0.000	2	108.6400	0.019	5	109.6825	5.113	52	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(S[5]C[5]OO)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]C[6a]C[5]H)(S[5]C[5]OO)(H)2{2|C<3>,4|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.9815	0.008	2	108.9815	0.000	2	109.6825	5.113	52	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5,6]CH)(S[5]C[5,6]OO)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]N[5,6]CH)(S[5]C[5,6]OO)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	109.1130	0.000	1	109.1130	0.000	1	109.6825	5.113	52	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:S[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]S[5]HH)(S[5]C[5]OO)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](C[5]S[5]HH)(S[5]C[5]OO)(H)2{1|C<4>,1|H<1>,2|O<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	115.0592	2.862	4	115.0592	8.191	4	109.6825	5.113	52	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:Si[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]Si[5]HH)(Si[5]N[5]CC)(H)2	H(C[5]Si[5]C[5]H)	H(C[5]Si[5]C[5]H)	C[5](C[5]Si[5]HH)(Si[5]N[5]CC)(H)2{1|N<2>,2|C<4>}	H(C[5]Si[5]C[5]H)	H(C[5]Si[5]C[5]H)	108.4573	0.195	8	108.4464	0.061	10	107.1168	11.769	18	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:Si[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]Si[5]HH)(Si[5]N[5]CC)(H)2	H(C[5]Si[5]C[5]H)	H(C[5]Si[5]C[5]H)	C[5](C[5]Si[5]HH)(Si[5]N[5]CC)(H)2{1|N<3>,2|C<4>}	H(C[5]Si[5]C[5]H)	H(C[5]Si[5]C[5]H)	108.4030	0.530	2	108.4464	0.061	10	107.1168	11.769	18	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:Si[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]Si[5]HH)(Si[5]N[5]HH)(H)2	H(C[5]Si[5]C[5]H)	H(C[5]Si[5]C[5]H)	C[5](C[5]Si[5]HH)(Si[5]N[5]HH)(H)2{1|N<3>,2|H<1>}	H(C[5]Si[5]C[5]H)	H(C[5]Si[5]C[5]H)	101.9560	0.706	2	101.9560	0.498	2	107.1168	11.769	18	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:Si[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]Si[5]HH)(Si[5]P[5]CC)(H)2	H(C[5]Si[5]C[5]H)	H(C[5]Si[5]C[5]H)	C[5](C[5]Si[5]HH)(Si[5]P[5]CC)(H)2{1|Ba<8>,1|C<3>,1|C<4>}	H(C[5]Si[5]C[5]H)	H(C[5]Si[5]C[5]H)	109.0500	0.000	1	106.6209	25.319	6	107.1168	11.769	18	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:Si[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]Si[5]HH)(Si[5]P[5]CC)(H)2	H(C[5]Si[5]C[5]H)	H(C[5]Si[5]C[5]H)	C[5](C[5]Si[5]HH)(Si[5]P[5]CC)(H)2{1|Ba<8>,2|C<4>}	H(C[5]Si[5]C[5]H)	H(C[5]Si[5]C[5]H)	108.5870	0.000	1	106.6209	25.319	6	107.1168	11.769	18	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	C[5]-4:Si[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]Si[5]HH)(Si[5]P[5]CC)(H)2	H(C[5]Si[5]C[5]H)	H(C[5]Si[5]C[5]H)	C[5](C[5]Si[5]HH)(Si[5]P[5]CC)(H)2{1|Si<4>,2|C<4>}	H(C[5]Si[5]C[5]H)	H(C[5]Si[5]C[5]H)	105.5221	6.110	4	106.6209	25.319	6	107.1168	11.769	18	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	Ga[5]-4:Si[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](Ga[5]N[5,6]Cl2)(Si[5]C[5,6]CC)(H)2	H(C[5]Ga[5]Si[5]H)	H(C[5]Ga[5]Si[5]H)	C[5](Ga[5]N[5,6]Cl2)(Si[5]C[5,6]CC)(H)2{2|C<3>}	H(C[5]Ga[5]Si[5]H)	H(C[5]Ga[5]Si[5]H)	108.7100	0.000	1	108.7100	0.000	1	108.7100	0.000	1	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[3,5]C[3,5]C[3]C)(C[5]C[5]HO)(H)2	H(C[5]N[3,5]C[5]H)	H(C[5]N[3,5]C[5]H)	C[5](N[3,5]C[3,5]C[3]C)(C[5]C[5]HO)(H)2{5|H<1>}	H(C[5]N[3,5]C[5]H)	H(C[5]N[3,5]C[5]H)	108.8710	0.000	1	108.8710	0.000	1	108.8710	0.000	1	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[3x5]B[3x5]C[5]2)(C[5]O[5]HH)(H)2	H(C[5]N[3x5]C[5]H)	H(C[5]N[3x5]C[5]H)	C[5](N[3x5]B[3x5]C[5]2)(C[5]O[5]HH)(H)2{2|C<4>,2|O<2>,4|H<1>}	H(C[5]N[3x5]C[5]H)	H(C[5]N[3x5]C[5]H)	110.3233	1.084	3	110.3233	1.175	3	108.9418	0.779	17	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[3x5]Ga[3x5,6,6]C[5]2)(C[5]N[5,6]HH)(H)2	H(C[5]N[3x5]C[5]H)	H(C[5]N[3x5]C[5]H)	C[5](N[3x5]Ga[3x5,6,6]C[5]2)(C[5]N[5,6]HH)(H)2{1|C<3>,1|N<3>,1|N<4>,2|C<4>,2|O<2>,5|H<1>}	H(C[5]N[3x5]C[5]H)	H(C[5]N[3x5]C[5]H)	108.0940	0.035	3	108.0940	0.001	3	108.9418	0.779	17	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[3x5]Ge[3x5]C[5]2)(C[5]O[5]CC)(H)2	H(C[5]N[3x5]C[5]H)	H(C[5]N[3x5]C[5]H)	C[5](N[3x5]Ge[3x5]C[5]2)(C[5]O[5]CC)(H)2{1|Br<1>,2|H<1>,2|O<2>,4|C<4>}	H(C[5]N[3x5]C[5]H)	H(C[5]N[3x5]C[5]H)	107.9600	0.000	1	107.9600	0.000	1	108.9418	0.779	17	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[3x5]Ge[3x5]C[5]2)(C[5]O[5]HH)(H)2	H(C[5]N[3x5]C[5]H)	H(C[5]N[3x5]C[5]H)	C[5](N[3x5]Ge[3x5]C[5]2)(C[5]O[5]HH)(H)2{1|Br<1>,2|H<1>,2|O<2>,4|C<4>}	H(C[5]N[3x5]C[5]H)	H(C[5]N[3x5]C[5]H)	108.3990	0.000	1	108.3990	0.000	1	108.9418	0.779	17	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[3x5]In[3x5]C[5]2)(C[5]N[5]HH)(H)2	H(C[5]N[3x5]C[5]H)	H(C[5]N[3x5]C[5]H)	C[5](N[3x5]In[3x5]C[5]2)(C[5]N[5]HH)(H)2{1|Cl<1>,1|C<3>,1|C<4>,1|S<4>,3|N<3>,4|H<1>}	H(C[5]N[3x5]C[5]H)	H(C[5]N[3x5]C[5]H)	109.5005	0.066	2	109.5005	0.004	2	108.9418	0.779	17	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[3x5]P[3x5]C[5]2)(C[5]N[5]HH)(H)2	H(C[5]N[3x5]C[5]H)	H(C[5]N[3x5]C[5]H)	C[5](N[3x5]P[3x5]C[5]2)(C[5]N[5]HH)(H)2{1|N<2>,2|N<3>,3|C<4>,4|H<1>}	H(C[5]N[3x5]C[5]H)	H(C[5]N[3x5]C[5]H)	108.9120	0.089	3	108.7713	0.024	7	108.9418	0.779	17	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[3x5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[3x5]P[3x5]C[5]2)(C[5]N[5]HH)(H)2	H(C[5]N[3x5]C[5]H)	H(C[5]N[3x5]C[5]H)	C[5](N[3x5]P[3x5]C[5]2)(C[5]N[5]HH)(H)2{2|N<3>,3|C<4>,5|H<1>}	H(C[5]N[3x5]C[5]H)	H(C[5]N[3x5]C[5]H)	108.6658	0.085	4	108.7713	0.024	7	108.9418	0.779	17	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[4,5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[4,5,5]Ge[4,5,5]2C[5])(C[5]N[5]HH)(H)2	H(C[5]N[4,5,5]C[5]H)	H(C[5]N[4,5,5]C[5]H)	C[5](N[4,5,5]Ge[4,5,5]2C[5])(C[5]N[5]HH)(H)2{1|Si<4>,2|Cl<1>,1|C<4>,1|N<4>,2|H<1>,3|N<3>}	H(C[5]N[4,5,5]C[5]H)	H(C[5]N[4,5,5]C[5]H)	108.6125	0.069	2	108.6125	0.005	2	108.6125	0.005	2	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[4,5]B[4,5a]2C[5])(C[5]C[5]HH)(H)2	H(C[5]N[4,5]C[5]H)	H(C[5]N[4,5]C[5]H)	C[5](N[4,5]B[4,5a]2C[5])(C[5]C[5]HH)(H)2{1|N<4>,4|H<1>,4|O<2>}	H(C[5]N[4,5]C[5]H)	H(C[5]N[4,5]C[5]H)	108.9470	0.000	1	108.9470	0.000	1	108.8136	0.018	8	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[4,5]B[4]2C[5])(C[5]C[5]HH)(H)2	H(C[5]N[4,5]C[5]H)	H(C[5]N[4,5]C[5]H)	C[5](N[4,5]B[4]2C[5])(C[5]C[5]HH)(H)2{4|Br<1>,1|N<4>,4|H<1>}	H(C[5]N[4,5]C[5]H)	H(C[5]N[4,5]C[5]H)	108.8740	0.061	4	108.8740	0.004	4	108.8136	0.018	8	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[4,5]C[4,6,6]B[4]C[5])(C[5]C[5]HH)(H)2	H(C[5]N[4,5]C[5]H)	H(C[5]N[4,5]C[5]H)	C[5](N[4,5]C[4,6,6]B[4]C[5])(C[5]C[5]HH)(H)2{2|C<3>,3|C<4>,4|H<1>}	H(C[5]N[4,5]C[5]H)	H(C[5]N[4,5]C[5]H)	108.5430	0.000	1	108.5430	0.000	1	108.8136	0.018	8	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[4,5]Ga[4]Si[4]C[5])(C[5]C[5]HH)(H)2	H(C[5]N[4,5]C[5]H)	H(C[5]N[4,5]C[5]H)	C[5](N[4,5]Ga[4]Si[4]C[5])(C[5]C[5]HH)(H)2{1|C<2>,1|C<4>,2|C<3>,5|H<1>}	H(C[5]N[4,5]C[5]H)	H(C[5]N[4,5]C[5]H)	108.7615	0.067	2	108.7615	0.005	2	108.8136	0.018	8	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,3x6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(H)2	H(C[5]N[5,3x6]C[5]H)	H(C[5]N[5,3x6]C[5]H)	C[5](N[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,6|H<1>}	H(C[5]N[5,3x6]C[5]H)	H(C[5]N[5,3x6]C[5]H)	108.7810	0.000	1	108.7810	0.000	1	108.7810	0.000	1	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]HH)(H)2	H(C[5]N[5,5,6]C[5]H)	H(C[5]N[5,5,6]C[5]H)	C[5](N[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5]N[5,5,6]C[5]H)	H(C[5]N[5,5,6]C[5]H)	108.9540	0.000	1	108.9540	0.000	1	108.9027	0.686	17	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(H)2	H(C[5]N[5,5,6]C[5]H)	H(C[5]N[5,5,6]C[5]H)	C[5](N[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(H)2{4|C<4>,6|H<1>}	H(C[5]N[5,5,6]C[5]H)	H(C[5]N[5,5,6]C[5]H)	109.1989	0.920	10	109.1989	0.847	10	108.9027	0.686	17	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5,6]Ga[4x5,6,6]C[5]C[6])(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5,6]C[5]H)	H(C[5]N[5,5,6]C[5]H)	C[5](N[5,5,6]Ga[4x5,6,6]C[5]C[6])(C[5]N[5,5]HH)(H)2{1|C<3>,2|C<4>,2|N<4>,2|O<2>,5|H<1>}	H(C[5]N[5,5,6]C[5]H)	H(C[5]N[5,5,6]C[5]H)	108.1225	0.089	4	108.1225	0.008	4	108.9027	0.686	17	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5,6]In[5,6,6]C[5,5]C[6])(C[5]C[5]HH)(H)2	H(C[5]N[5,5,6]C[5]H)	H(C[5]N[5,5,6]C[5]H)	C[5](N[5,5,6]In[5,6,6]C[5,5]C[6])(C[5]C[5]HH)(H)2{1|Cl<1>,1|C<3>,1|C<4>,1|N<4>,2|O<2>,5|H<1>}	H(C[5]N[5,5,6]C[5]H)	H(C[5]N[5,5,6]C[5]H)	108.9565	0.080	2	108.9565	0.006	2	108.9027	0.686	17	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]B[5,5,6]C[5]B)(C[5]N[5,6]CH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]B[5,5,6]C[5]B)(C[5]N[5,6]CH)(H)2{1|B<4>,1|H<1>,2|O<2>,3|C<4>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.8580	0.000	1	108.8580	0.000	1	108.9294	4.451	176	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]B[5,5]C[5,5]B)(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]B[5,5]C[5,5]B)(C[5]C[5]HH)(H)2{1|C<4>,1|N<4>,2|O<2>,3|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.6820	0.000	1	108.6820	0.000	1	108.9294	4.451	176	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]B[5,5]C[5,5]H)(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]B[5,5]C[5,5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<4>,2|O<2>,3|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.7850	0.000	1	108.7850	0.000	1	108.9294	4.451	176	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]B[5,5]C[5,5]H)(C[5]N[5]CC)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]B[5,5]C[5,5]H)(C[5]N[5]CC)(H)2{2|C<3>,2|H<1>,2|O<2>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	113.1350	0.000	1	113.1350	0.000	1	108.9294	4.451	176	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]B[5,5]C[5,5]H)(C[5]N[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]B[5,5]C[5,5]H)(C[5]N[5]HH)(H)2{1|H<1>,2|O<2>,3|C<3>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.3260	0.000	1	107.4970	2.550	3	108.9294	4.451	176	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]B[5,5]C[5,5]H)(C[5]N[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]B[5,5]C[5,5]H)(C[5]N[5]HH)(H)2{2|C<3>,2|H<1>,2|O<2>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	106.5825	0.286	2	107.4970	2.550	3	108.9294	4.451	176	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]B[5,5]C[5]C)(C[5]C[5]CC)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]B[5,5]C[5]C)(C[5]C[5]CC)(H)2{2|C<3>,5|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.2150	0.000	1	108.2150	0.000	1	108.9294	4.451	176	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]B[5,5]C[5]C)(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]B[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.4480	0.000	1	108.4480	0.000	1	108.9294	4.451	176	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]B[5,5]C[5]C)(C[5]C[6a]O[5]H)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]B[5,5]C[5]C)(C[5]C[6a]O[5]H)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.3844	1.743	8	108.3844	3.039	8	108.9294	4.451	176	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.8267	0.197	7	108.8267	0.039	7	108.9294	4.451	176	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]B[5,5]C[5]H)(C[5]O[5]CH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]B[5,5]C[5]H)(C[5]O[5]CH)(H)2{1|B<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.9765	0.086	2	108.9765	0.007	2	108.9294	4.451	176	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]B[5,5]C[5]H)(C[5]O[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]B[5,5]C[5]H)(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.0240	0.141	4	109.0519	0.012	7	108.9294	4.451	176	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]B[5,5]C[5]H)(C[5]O[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]B[5,5]C[5]H)(C[5]O[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.0890	0.049	3	109.0519	0.012	7	108.9294	4.451	176	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[4x5]C[5]B)(C[5]C[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[4x5]C[5]B)(C[5]C[5,5]HH)(H)2{3|H<1>,4|C<4>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.7105	0.176	2	108.7105	0.031	2	108.9294	4.451	176	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]2H)(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]2H)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.8360	0.119	2	108.8360	0.014	2	108.9294	4.451	176	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5]B)(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5]B)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.9740	0.000	1	108.9740	0.000	1	108.9294	4.451	176	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5]B)(C[5]C[5]HO)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5]B)(C[5]C[5]HO)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.6850	0.000	1	108.6850	0.000	1	108.9294	4.451	176	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5]C)(C[5]C[5]CH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5]C)(C[5]C[5]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.2760	0.000	1	109.2760	0.000	1	108.9294	4.451	176	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.8390	0.000	1	109.8600	2.085	2	108.9294	4.451	176	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|I<1>,3|C<4>,3|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	110.8810	0.000	1	109.8600	2.085	2	108.9294	4.451	176	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|Br<1>,2|C<4>,4|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.1060	0.000	1	109.4456	1.111	12	108.9294	4.451	176	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|I<1>,3|C<4>,3|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.8090	0.000	1	109.4456	1.111	12	108.9294	4.451	176	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.4432	1.154	10	109.4456	1.111	12	108.9294	4.451	176	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(H)2{1|N<2>,2|C<4>,4|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.2310	0.000	1	109.2310	0.000	1	108.9294	4.451	176	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5]Pd)(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5]Pd)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	117.4365	4.330	2	114.7547	30.949	3	108.9294	4.451	176	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,5]C[5]Pd)(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,5]C[5]Pd)(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,4|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.3910	0.000	1	114.7547	30.949	3	108.9294	4.451	176	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5,6a]C[5,5]H)(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5,6a]C[5,5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.9710	0.000	1	108.9710	0.000	1	108.9294	4.451	176	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5]3)(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5]3)(C[5]C[5]HH)(H)2{2|C<4>,8|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.4260	2.911	57	109.4156	8.330	58	108.9294	4.451	176	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]C[5]3)(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]C[5]3)(C[5]C[5]HH)(H)2{3|C<3>,7|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.8270	0.000	1	109.4156	8.330	58	108.9294	4.451	176	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]Ga[3x5,6,6]C[5]H)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]Ga[3x5,6,6]C[5]H)(C[5]N[5,5]HH)(H)2{2|C<4>,2|N<3>,2|O<2>,3|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.2000	0.000	1	108.2000	0.000	1	108.9294	4.451	176	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]Ga[3x5,6,6]C[5]H)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]Ga[3x5,6,6]C[5]H)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|N<4>,2|H<1>,2|O<2>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.1160	0.000	1	108.1160	0.000	1	108.9294	4.451	176	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]Ga[3x5]C[5]C)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]Ga[3x5]C[5]C)(C[5]N[5,5]HH)(H)2{1|N<4>,2|H<1>,3|C<4>,3|F<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	107.0862	0.178	6	107.0862	0.032	6	108.9294	4.451	176	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]Ga[3x5]C[5]C)(C[5]N[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]Ga[3x5]C[5]C)(C[5]N[5]HH)(H)2{1|C<4>,1|N<4>,2|O<2>,4|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	107.9655	0.260	2	107.9655	0.067	2	108.9294	4.451	176	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]Ga[3x5]C[5]H)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]Ga[3x5]C[5]H)(C[5]N[5,5]HH)(H)2{2|Cl<1>,1|C<3>,1|C<4>,2|N<3>,3|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.2765	0.062	2	108.2765	0.004	2	108.9294	4.451	176	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]Ga[4x5,6,6]C[5]H)(C[5]N[5,5,6]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]Ga[4x5,6,6]C[5]H)(C[5]N[5,5,6]HH)(H)2{2|H<1>,2|N<4>,2|O<2>,3|C<4>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.6163	0.121	3	108.6163	0.015	3	108.9294	4.451	176	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]Ga[4x5]C[5]C)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]Ga[4x5]C[5]C)(C[5]N[5,5]HH)(H)2{1|C<3>,1|N<4>,2|C<4>,2|H<1>,2|O<2>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.2085	0.037	2	108.0787	0.026	4	108.9294	4.451	176	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]Ga[4x5]C[5]C)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]Ga[4x5]C[5]C)(C[5]N[5,5]HH)(H)2{1|N<4>,2|H<1>,2|O<2>,3|C<4>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	107.9490	0.091	2	108.0787	0.026	4	108.9294	4.451	176	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]Ga[4x5]C[5]H)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]Ga[4x5]C[5]H)(C[5]N[5,5]HH)(H)2{2|Cl<1>,2|C<4>,2|N<4>,3|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.3073	0.309	7	108.3073	0.096	7	108.9294	4.451	176	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]Ga[5x5]C[5]H)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]Ga[5x5]C[5]H)(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|N<3>,2|O<2>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.4520	0.000	1	108.4520	0.000	1	108.9294	4.451	176	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]Ge[3x5]C[5]C)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]Ge[3x5]C[5]C)(C[5]N[5,5]HH)(H)2{1|N<4>,2|H<1>,3|C<4>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.2190	0.110	4	108.2190	0.012	4	108.9294	4.451	176	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]Ge[5,5]C[5]C)(C[5]C[6a]2O[5])(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]Ge[5,5]C[5]C)(C[5]C[6a]2O[5])(H)2{1|Pd<4>,1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.0460	0.077	3	108.0460	0.006	3	108.9294	4.451	176	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]Ge[5,5]C[5]C)(C[5]O[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]Ge[5,5]C[5]C)(C[5]O[5]HH)(H)2{1|Pd<4>,1|C<4>,1|O<2>,2|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.3390	0.049	3	108.3390	0.002	3	108.9294	4.451	176	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]In[3x5,6,6]C[5]H)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]In[3x5,6,6]C[5]H)(C[5]N[5,5]HH)(H)2{2|C<4>,2|N<3>,2|O<2>,3|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.3005	0.057	2	108.3005	0.003	2	108.9294	4.451	176	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]In[3x5,6,6]C[5]H)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]In[3x5,6,6]C[5]H)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|N<4>,2|H<1>,2|O<2>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.1965	0.006	2	108.1965	0.000	2	108.9294	4.451	176	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]In[3x5]C[5]C)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]In[3x5]C[5]C)(C[5]N[5,5]HH)(H)2{1|N<4>,2|H<1>,3|C<4>,3|F<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	107.8530	0.035	5	107.8529	0.002	9	108.9294	4.451	176	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]In[3x5]C[5]C)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]In[3x5]C[5]C)(C[5]N[5,5]HH)(H)2{3|Br<1>,1|N<4>,2|H<1>,3|C<4>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	107.8528	0.051	4	107.8529	0.002	9	108.9294	4.451	176	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]In[3x5]C[5]H)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]In[3x5]C[5]H)(C[5]N[5,5]HH)(H)2{2|Te<2>,2|C<4>,2|N<4>,3|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	107.6730	0.000	1	107.6730	0.000	1	108.9294	4.451	176	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]In[3x5]C[5]H)(C[5]N[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]In[3x5]C[5]H)(C[5]N[5]HH)(H)2{2|Te<2>,1|C<4>,2|N<4>,4|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	107.8680	0.000	1	107.8680	0.000	1	108.9294	4.451	176	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]In[5,5]C[5]C)(C[5]N[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]In[5,5]C[5]C)(C[5]N[5]HH)(H)2{1|N<3>,1|S<4>,2|C<4>,2|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.5210	0.000	1	109.5210	0.000	1	108.9294	4.451	176	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]N[5,5]B[5]Fe)(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]N[5,5]B[5]Fe)(C[5]C[5]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.9510	0.000	1	108.9510	0.000	1	108.9294	4.451	176	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]N[5,5]B[5]Ru)(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]N[5,5]B[5]Ru)(C[5]C[5]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	109.0100	0.175	2	109.0100	0.031	2	108.9294	4.451	176	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.7120	0.000	1	108.7120	0.000	1	108.9294	4.451	176	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,5]Si[3x5]C[5]C)(C[5]N[5,5]HH)(H)2	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	C[5](N[5,5]Si[3x5]C[5]C)(C[5]N[5,5]HH)(H)2{1|N<4>,2|H<1>,3|C<4>,3|F<1>}	H(C[5]N[5,5]C[5]H)	H(C[5]N[5,5]C[5]H)	108.2945	0.016	2	108.2945	0.000	2	108.9294	4.451	176	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6,6]C[5,3x6]C[6]2)(C[5]N[5,6,6]HH)(H)2	H(C[5]N[5,6,6]C[5]H)	H(C[5]N[5,6,6]C[5]H)	C[5](N[5,6,6]C[5,3x6]C[6]2)(C[5]N[5,6,6]HH)(H)2{1|N<3>,4|C<4>,5|H<1>}	H(C[5]N[5,6,6]C[5]H)	H(C[5]N[5,6,6]C[5]H)	108.8790	0.035	2	108.8790	0.001	2	108.1566	0.449	5	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6,6]Nb[3,5,6,6]C[6]2)(C[5]N[5]HH)(H)2	H(C[5]N[5,6,6]C[5]H)	H(C[5]N[5,6,6]C[5]H)	C[5](N[5,6,6]Nb[3,5,6,6]C[6]2)(C[5]N[5]HH)(H)2{1|Cl<1>,2|C<4>,2|O<2>,4|C<3>,4|H<1>}	H(C[5]N[5,6,6]C[5]H)	H(C[5]N[5,6,6]C[5]H)	107.6750	0.166	3	107.6750	0.028	3	108.1566	0.449	5	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]B[6]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]B[6]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,2|F<1>,6|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.7840	0.000	1	108.7840	0.000	1	108.8928	0.699	88	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,3x6]C[6]H)(C[5]C[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,3x6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.9200	0.000	1	108.9200	0.000	1	108.8928	0.699	88	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,5,6]C[6,6]C)(C[5]C[5,5]CH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,5,6]C[6,6]C)(C[5]C[5,5]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.7860	0.000	1	108.7860	0.000	1	108.8928	0.699	88	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6]C)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6]C)(C[5]N[5,6]HH)(H)2{3|C<4>,3|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.8065	0.052	2	108.8065	0.003	2	108.8928	0.699	88	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6]H)(C[5]C[5,5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6]H)(C[5]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.8745	0.586	44	108.8745	0.343	44	108.8928	0.699	88	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	113.5470	0.000	1	113.5470	0.000	1	108.8928	0.699	88	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HO)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HO)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	111.4270	0.940	2	111.4270	0.884	2	108.8928	0.699	88	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]CH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]CH)(H)2{2|H<1>,4|C<4>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.8550	0.000	1	108.8550	0.000	1	108.8928	0.699	88	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.9300	0.000	1	108.9300	0.000	1	108.8928	0.699	88	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.5780	0.000	1	108.5780	0.000	1	108.8928	0.699	88	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.8930	0.000	1	108.8727	0.031	3	108.8928	0.699	88	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2{2|C<4>,5|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.6880	0.000	1	108.8727	0.031	3	108.8928	0.699	88	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2{3|C<4>,4|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.0370	0.000	1	108.8727	0.031	3	108.8928	0.699	88	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.9400	0.000	1	108.9363	0.001	3	108.8928	0.699	88	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.9580	0.000	1	108.9363	0.001	3	108.8928	0.699	88	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{3|H<1>,4|C<4>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.9110	0.000	1	108.9363	0.001	3	108.8928	0.699	88	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.7990	0.000	1	108.7990	0.000	1	108.8928	0.699	88	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5,6]C[6]H)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5,6]C[6]H)(C[5]N[5,6]HH)(H)2{2|C<4>,4|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.6675	0.135	6	108.6675	0.018	6	108.8928	0.699	88	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{2|C<4>,8|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.7605	0.150	6	108.7605	0.022	6	108.8928	0.699	88	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HH)(H)2{1|B<4>,2|C<3>,2|F<1>,4|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.6255	1.364	2	109.6255	1.861	2	108.8928	0.699	88	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]C[6]2N[5])(C[5]C[5]HO)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]C[6]2N[5])(C[5]C[5]HO)(H)2{1|O<1>,2|C<4>,4|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	109.0850	0.000	1	109.0850	0.000	1	108.8928	0.699	88	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]Ga[3x5,6,6]C[6]H)(C[5]N[3x5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]Ga[3x5,6,6]C[6]H)(C[5]N[3x5]HH)(H)2{1|C<3>,1|N<3>,1|N<4>,2|C<4>,2|H<1>,2|O<2>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.0817	0.309	3	108.0817	0.095	3	108.8928	0.699	88	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]Ga[5]C[6]2)(C[5]N[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]Ga[5]C[6]2)(C[5]N[5]HH)(H)2{1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.0900	0.000	1	108.0880	0.000	2	108.8928	0.699	88	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]Ga[5]C[6]2)(C[5]N[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]Ga[5]C[6]2)(C[5]N[5]HH)(H)2{1|Cl<1>,1|Ga<4>,1|C<3>,2|C<4>,4|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.0860	0.000	1	108.0880	0.000	2	108.8928	0.699	88	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]Ga[6]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]Ga[6]C[5]C[6])(C[5]C[5]HH)(H)2{1|Cl<1>,1|C<3>,1|C<4>,2|O<2>,5|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.9430	0.000	1	108.9430	0.000	1	108.8928	0.699	88	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]In[5,6,6]C[6]C)(C[5]N[5,6]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]In[5,6,6]C[6]C)(C[5]N[5,6]HH)(H)2{1|Cl<1>,1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	107.9880	0.057	2	107.9880	0.003	2	108.8928	0.699	88	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]In[5,6]C[6]C)(C[5]N[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]In[5,6]C[6]C)(C[5]N[5]HH)(H)2{2|Cl<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	107.9250	0.000	1	107.9250	0.000	1	108.8928	0.699	88	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]In[6]C[5]C[6])(C[5]C[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]In[6]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|I<1>,2|O<2>,5|H<1>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.8120	0.000	1	108.8120	0.000	1	108.8928	0.699	88	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5,6]Nb[3,5,6]C[6]C)(C[5]N[5]HH)(H)2	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	C[5](N[5,6]Nb[3,5,6]C[6]C)(C[5]N[5]HH)(H)2{2|Cl<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]N[5,6]C[5]H)	H(C[5]N[5,6]C[5]H)	108.0110	0.000	1	108.0110	0.000	1	108.8928	0.699	88	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]B[5,5]CC)(C[5]O[5]CH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]B[5,5]CC)(C[5]O[5]CH)(H)2{2|O<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9050	0.000	1	108.9050	0.000	1	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]B[5,5]CC)(C[5]O[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]B[5,5]CC)(C[5]O[5]HH)(H)2{1|C<3>,1|O<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9220	0.047	2	108.9220	0.002	2	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]B[5,6,6]CC)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]B[5,6,6]CC)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7630	0.000	1	108.7630	0.000	1	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,5]Zn2)(C[5]N[5,5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,5]Zn2)(C[5]N[5,5]HH)(H)2{1|C<4>,1|N<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8660	0.000	1	108.8660	0.000	1	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,6a]AlC)(C[5]C[5,6a]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6a]AlC)(C[5]C[5,6a]HH)(H)2{2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.6220	0.100	2	108.6220	0.010	2	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,6a]C[6a]Pd)(C[5]C[5,6a]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6a]C[6a]Pd)(C[5]C[5,6a]HH)(H)2{4|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.4450	0.000	1	109.4450	0.000	1	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5,6a]ReH)(C[5]C[5,6a]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5,6a]ReH)(C[5]C[5,6a]HH)(H)2{2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.4860	0.000	1	108.4860	0.000	1	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]AlC)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]AlC)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7321	0.115	10	108.7427	0.013	11	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]AlC)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]AlC)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8490	0.000	1	108.7427	0.013	11	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]AlH)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]AlH)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8610	0.000	1	108.8610	0.000	1	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9795	0.139	2	108.9172	0.017	4	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]C[6]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]C[6]H)(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8550	0.124	2	108.9172	0.017	4	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]CdC)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]CdC)(C[5]N[5]HH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8610	0.000	1	108.8610	0.000	1	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]CoC)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]CoC)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.6212	0.087	5	108.6212	0.008	5	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]CoH)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]CoH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8290	0.044	2	109.0209	3.587	17	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]CoH)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]CoH)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.1942	1.215	8	109.0209	3.587	17	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]CoH)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]CoH)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7740	0.000	1	109.0209	3.587	17	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]CoH)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]CoH)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	110.2282	2.558	6	109.0209	3.587	17	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]CoH)(C[5]C[5]HO)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]CoH)(C[5]C[5]HO)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.6460	0.000	1	108.6460	0.000	1	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]CuC)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]CuC)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9445	0.087	2	108.8352	0.028	5	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]CuC)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]CuC)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7623	0.179	3	108.8352	0.028	5	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]CuC)(C[5]N[5]CC)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]CuC)(C[5]N[5]CC)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1015	0.046	2	109.1015	0.002	2	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]CuC)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]CuC)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9033	0.301	3	108.8764	0.031	9	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]CuC)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]CuC)(C[5]N[5]HH)(H)2{1|Cu<5>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8630	0.111	6	108.8764	0.031	9	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]CuH)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]CuH)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	99.7595	12.169	3	99.7595	148.087	3	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]CuH)(C[5]O[5]CH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]CuH)(C[5]O[5]CH)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1780	0.000	1	109.1780	0.000	1	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]DyC)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]DyC)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.5695	0.071	2	108.5695	0.005	2	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]FeC)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]FeC)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8572	0.132	8	108.6381	0.260	34	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]FeC)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]FeC)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.5617	0.587	24	108.6381	0.260	34	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]FeC)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]FeC)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.6790	0.017	2	108.6381	0.260	34	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]IrC)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]IrC)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	107.1940	0.000	1	107.1940	0.000	1	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]IrH)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]IrH)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8880	0.013	2	108.8486	0.009	5	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]IrH)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]IrH)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8223	0.127	3	108.8486	0.009	5	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]LiC)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]LiC)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8213	0.046	4	108.8213	0.002	4	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]LuSi)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]LuSi)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7280	0.052	2	108.7280	0.003	2	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]MgB)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]MgB)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7420	0.000	1	108.7420	0.000	1	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]MgC)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]MgC)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7184	0.075	5	108.7546	0.018	8	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]MgC)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]MgC)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8150	0.206	3	108.7546	0.018	8	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]MgC)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]MgC)(C[5]N[5]HH)(H)2{1|Mg<5>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8240	0.000	1	108.8810	0.006	2	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]MgC)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]MgC)(C[5]N[5]HH)(H)2{1|Mg<6>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9380	0.000	1	108.8810	0.006	2	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]MnC)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]MnC)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7256	0.091	9	108.7256	0.008	9	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]MnC)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]MnC)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8385	0.088	2	108.8116	0.006	10	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]MnC)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]MnC)(C[5]N[5]HH)(H)2{1|Mn<6>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8049	0.079	8	108.8116	0.006	10	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]MoC)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]MoC)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8005	0.084	4	108.9114	0.024	7	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]MoC)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]MoC)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0593	0.072	3	108.9114	0.024	7	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]MoH)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]MoH)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9655	0.151	2	108.9655	0.023	2	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]NiC)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]NiC)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8430	0.000	1	109.0021	0.059	37	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]NiC)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]NiC)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0160	0.247	33	109.0021	0.059	37	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]NiC)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]NiC)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9017	0.229	3	109.0021	0.059	37	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]NiC)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]NiC)(C[5]N[5]HH)(H)2{1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9250	0.000	1	108.8422	0.008	20	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]NiC)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]NiC)(C[5]N[5]HH)(H)2{1|Ni<6>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8379	0.091	19	108.8422	0.008	20	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]NiC)(C[5]O[5]CH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]NiC)(C[5]O[5]CH)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1380	0.136	2	109.1380	0.018	2	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]NiH)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]NiH)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7595	0.214	4	108.7595	0.046	4	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]NiH)(C[5]O[5]CH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]NiH)(C[5]O[5]CH)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2270	0.000	1	109.2270	0.000	1	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]PdC)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]PdC)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7390	0.000	1	108.7390	0.000	1	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]PdH)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]PdH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0475	0.067	2	108.8644	0.038	17	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]PdH)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]PdH)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7382	0.176	6	108.8644	0.038	17	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]PdH)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]PdH)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8619	0.131	8	108.8644	0.038	17	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]PdH)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]PdH)(C[5]C[5]HH)(H)2{1|N<4>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2750	0.000	1	108.8644	0.038	17	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]PdH)(C[5]C[5]HN)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]PdH)(C[5]C[5]HN)(H)2{4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.7710	0.000	1	109.7710	0.000	1	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]ReC)(C[5]S[5]CC)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]ReC)(C[5]S[5]CC)(H)2{1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	101.2730	0.000	1	101.2730	0.000	1	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]RhC)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]RhC)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7720	0.000	1	108.8147	0.032	3	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]RhC)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]RhC)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8360	0.249	2	108.8147	0.032	3	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]RhH)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]RhH)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9160	0.000	1	108.8600	0.002	3	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]RhH)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]RhH)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8320	0.016	2	108.8600	0.002	3	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]RuC)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]RuC)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8737	0.033	3	108.8737	0.001	3	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]RuH)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]RuH)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9030	0.000	1	108.8966	0.165	7	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]RuH)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]RuH)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.4515	0.097	2	108.8966	0.165	7	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]RuH)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]RuH)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.6175	0.131	4	108.8966	0.165	7	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]SbC)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]SbC)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9050	0.158	3	108.9050	0.025	3	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]ScSi)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]ScSi)(C[5]C[5]HH)(H)2{3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7580	0.000	1	108.7580	0.000	1	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]SiB)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]SiB)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	110.4205	1.747	2	110.4205	3.053	2	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]SiY)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]SiY)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.6345	0.018	2	108.6345	0.000	2	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]SnC)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]SnC)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.0640	0.000	1	109.0640	0.000	1	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]ZnC)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]ZnC)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.6910	0.020	2	108.9252	0.181	11	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]ZnC)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]ZnC)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.5542	0.262	4	108.9252	0.181	11	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]ZnC)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]ZnC)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.3156	0.215	5	108.9252	0.181	11	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]ZnC)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]ZnC)(C[5]N[5]HH)(H)2{1|H<1>,2|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8020	0.000	1	108.8640	0.002	5	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]ZnC)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]ZnC)(C[5]N[5]HH)(H)2{1|Zn<5>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8753	0.041	3	108.8640	0.002	5	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]ZnC)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]ZnC)(C[5]N[5]HH)(H)2{1|Zn<6>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8920	0.000	1	108.8640	0.002	5	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]ZnC)(C[5]O[5]CH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]ZnC)(C[5]O[5]CH)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.4890	0.000	1	108.4890	0.000	1	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]ZnC)(C[5]O[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]ZnC)(C[5]O[5]HH)(H)2{1|C<3>,1|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.1030	0.150	4	109.1030	0.023	4	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]ZnH)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]ZnH)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.8860	0.000	1	108.8425	0.021	6	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]ZnH)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]ZnH)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.9287	0.055	3	108.8425	0.021	6	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]ZnH)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]ZnH)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.6915	0.169	2	108.8425	0.021	6	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]ZrC)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[5]ZrC)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.7070	0.082	2	108.7070	0.007	2	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]B[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]B[5]C)(C[5]C[5]HH)(H)2{2|H<1>,4|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.5800	0.000	1	108.5800	0.000	1	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5]Pd)(C[5]O[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]C[6a]C[5]Pd)(C[5]O[5]HH)(H)2{1|H<1>,3|C<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	109.2330	0.000	1	109.2330	0.000	1	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]Ga[3x5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]Ga[3x5]HH)(C[5]N[5,5]HH)(H)2{1|N<4>,2|C<4>,2|O<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.1925	0.210	2	108.1925	0.044	2	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]Ga[4,5]CC)(C[5]O[4,5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]Ga[4,5]CC)(C[5]O[4,5]HH)(H)2{1|Ga<5>,2|Cl<1>,1|O<3>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.3320	0.000	1	108.3320	0.000	1	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]Ga[5]CC)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]Ga[5]CC)(C[5]N[5]HH)(H)2{4|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.1540	0.000	1	108.1540	0.000	1	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]Ga[5]CC)(C[5]O[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]Ga[5]CC)(C[5]O[5]HH)(H)2{1|Cl<1>,1|Ga<4>,1|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.2650	0.000	1	108.2650	0.000	1	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]Ge[5]HH)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]Ge[5]HH)(C[5]N[5]HH)(H)2{2|H<1>,4|O<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.5900	0.000	1	108.5900	0.000	1	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]In[3x5]HH)(C[5]N[5,5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]In[3x5]HH)(C[5]N[5,5]HH)(H)2{2|Te<2>,1|C<4>,1|H<1>,2|N<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.4120	0.000	1	108.4120	0.000	1	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]In[5,6]CC)(C[5]N[5,6]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]In[5,6]CC)(C[5]N[5,6]HH)(H)2{2|Cl<1>,1|O<2>,2|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.0910	0.000	1	108.0910	0.000	1	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]In[5]CC)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]In[5]CC)(C[5]N[5]HH)(H)2{3|Cl<1>,2|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	107.7975	0.146	2	107.7975	0.021	2	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]In[5]CC)(C[5]S[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]In[5]CC)(C[5]S[5]HH)(H)2{1|Cl<1>,1|S<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	107.7710	0.000	1	107.7710	0.000	1	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]Nb[3,5,6,6]CC)(C[5]N[5,6,6]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]Nb[3,5,6,6]CC)(C[5]N[5,6,6]HH)(H)2{1|Cl<1>,2|C<3>,2|C<4>,2|O<2>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	107.9263	0.126	3	107.9263	0.016	3	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]Nb[3,5,6]CC)(C[5]N[5,6]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]Nb[3,5,6]CC)(C[5]N[5,6]HH)(H)2{2|Cl<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	107.7740	0.000	1	107.7740	0.000	1	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]Nb[3x3,5]CC)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]Nb[3x3,5]CC)(C[5]N[5]HH)(H)2{1|Cl<1>,1|Nb<7>,3|Cl<2>,2|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	107.8598	0.059	4	107.8598	0.004	4	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]Si[5]CC)(C[5]N[5]HH)(H)2	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	C[5](N[5]Si[5]CC)(C[5]N[5]HH)(H)2{3|Cl<1>,2|C<4>}	H(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]H)	108.3030	0.136	2	108.3030	0.018	2	108.6935	2.212	317	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	N[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]CC)2(H)2	H(C[5]N[5]2H)	H(C[5]N[5]2H)	C[5](N[5]C[5]CC)2(H)2{4|H<1>}	H(C[5]N[5]2H)	H(C[5]N[5]2H)	110.0870	2.027	2	110.0870	4.107	2	110.0870	4.107	2	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	O[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](O[5]C[5]Li2)(C[5]C[5]HH)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](O[5]C[5]Li2)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.6517	0.098	4	108.6517	0.010	4	108.7202	0.014	10	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	O[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](O[5]C[5]Mg2)(C[5]C[5]HH)(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](O[5]C[5]Mg2)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.7658	0.113	6	108.7658	0.013	6	108.7202	0.014	10	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	P[5,5]-4:Si[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5,5]Nb[3,4x5]C[6a]C[5])(Si[5]N[5,5]CC)(H)2	H(C[5]P[5,5]Si[5]H)	H(C[5]P[5,5]Si[5]H)	C[5](P[5,5]Nb[3,4x5]C[6a]C[5])(Si[5]N[5,5]CC)(H)2{2|Si<4>,1|N<3>,1|P<4>,2|H<1>,4|C<3>}	H(C[5]P[5,5]Si[5]H)	H(C[5]P[5,5]Si[5]H)	109.5060	0.116	2	109.5060	0.013	2	109.5116	0.004	7	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	P[5,5]-4:Si[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5,5]Nb[4x5]C[6a]C[5])(Si[5]N[5,5]CC)(H)2	H(C[5]P[5,5]Si[5]H)	H(C[5]P[5,5]Si[5]H)	C[5](P[5,5]Nb[4x5]C[6a]C[5])(Si[5]N[5,5]CC)(H)2{2|Si<4>,1|N<2>,1|N<3>,1|P<4>,2|C<3>,2|H<1>}	H(C[5]P[5,5]Si[5]H)	H(C[5]P[5,5]Si[5]H)	109.5138	0.051	5	109.5138	0.003	5	109.5116	0.004	7	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	P[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5,6]B[5,6]C[5,6]C[6a])(C[5]B[5,6]HH)(H)2	H(C[5]P[5,6]C[5]H)	H(C[5]P[5,6]C[5]H)	C[5](P[5,6]B[5,6]C[5,6]C[6a])(C[5]B[5,6]HH)(H)2{1|H<1>,1|P<4>,3|C<4>,4|C<3>}	H(C[5]P[5,6]C[5]H)	H(C[5]P[5,6]C[5]H)	108.5320	0.206	2	108.5320	0.043	2	109.1270	3.565	5	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	P[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5,6]C[5,6]C[6]S)(C[5]C[5]HH)(H)2	H(C[5]P[5,6]C[5]H)	H(C[5]P[5,6]C[5]H)	C[5](P[5,6]C[5,6]C[6]S)(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	H(C[5]P[5,6]C[5]H)	H(C[5]P[5,6]C[5]H)	109.8440	3.524	2	109.8440	12.420	2	109.1270	3.565	5	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	P[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5,6]C[5,6]C[6a]C[6])(C[5]B[5]HH)(H)2	H(C[5]P[5,6]C[5]H)	H(C[5]P[5,6]C[5]H)	C[5](P[5,6]C[5,6]C[6a]C[6])(C[5]B[5]HH)(H)2{1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[5]P[5,6]C[5]H)	H(C[5]P[5,6]C[5]H)	108.8830	0.000	1	108.8830	0.000	1	109.1270	3.565	5	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]As[5]C[6a]2)(C[5]P[5]HH)(H)2	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	C[5](P[5]As[5]C[6a]2)(C[5]P[5]HH)(H)2{6|C<3>}	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	108.3657	0.102	4	108.3657	0.010	4	108.5857	4.783	125	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]B[5]C[6]2)(C[5]P[5]HH)(H)2	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	C[5](P[5]B[5]C[6]2)(C[5]P[5]HH)(H)2{1|Br<1>,3|H<1>,6|C<4>}	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	109.4643	0.059	3	109.3972	0.232	5	108.5857	4.783	125	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]B[5]C[6]2)(C[5]P[5]HH)(H)2	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	C[5](P[5]B[5]C[6]2)(C[5]P[5]HH)(H)2{4|H<1>,6|C<4>}	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	109.2965	0.941	2	109.3972	0.232	5	108.5857	4.783	125	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]C[5,5]C[6a]2)(C[5]C[5,5]CH)(H)2	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	C[5](P[5]C[5,5]C[6a]2)(C[5]C[5,5]CH)(H)2{2|B<4>,2|H<1>,4|C<3>}	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	108.5580	0.132	2	108.5580	0.017	2	108.5857	4.783	125	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]C[5,5]C[6a]O)(C[5]C[5,5]HH)(H)2	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	C[5](P[5]C[5,5]C[6a]O)(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	108.5870	0.000	1	108.5870	0.000	1	108.5857	4.783	125	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]HH)(H)2	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]HH)(H)2{4|C<3>}	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	108.6010	0.022	3	108.6010	0.000	3	108.5857	4.783	125	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]C[5,6a]IrC)(C[5]C[5,6a]CC)(H)2	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	C[5](P[5]C[5,6a]IrC)(C[5]C[5,6a]CC)(H)2{2|C<3>}	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	108.6045	0.219	4	108.6045	0.048	4	108.5857	4.783	125	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]C[5,6a]Mo2)(C[5]C[5,6a]CC)(H)2	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	C[5](P[5]C[5,6a]Mo2)(C[5]C[5,6a]CC)(H)2{2|C<3>}	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	108.4280	0.000	1	108.4280	0.000	1	108.5857	4.783	125	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]C[5,6a]PdC)(C[5]C[5,6a]CC)(H)2	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	C[5](P[5]C[5,6a]PdC)(C[5]C[5,6a]CC)(H)2{2|C<3>}	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	108.3350	0.000	1	108.3350	0.000	1	108.5857	4.783	125	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]C[5]AuC)(C[5]C[5]HH)(H)2	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	C[5](P[5]C[5]AuC)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	108.7445	0.200	2	108.7445	0.040	2	108.5857	4.783	125	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]C[5]PtC)(C[5]C[5]HH)(H)2	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	C[5](P[5]C[5]PtC)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	108.8616	0.121	9	108.8616	0.015	9	108.5857	4.783	125	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]C[5]RhC)(C[5]C[5]HH)(H)2	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	C[5](P[5]C[5]RhC)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	108.5793	0.145	4	108.4890	2.146	12	108.5857	4.783	125	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]C[5]RhC)(C[5]C[5]HH)(H)2	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	C[5](P[5]C[5]RhC)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	108.4439	1.832	8	108.4890	2.146	12	108.5857	4.783	125	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]C[5]RuC)(C[5]C[5]HH)(H)2	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	C[5](P[5]C[5]RuC)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	108.4725	0.128	2	108.4725	0.016	2	108.5857	4.783	125	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]C[5x3,6x5,20x6]C[6a]O)(C[5]C[5x3,6x5,20x6]CH)(H)2	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	C[5](P[5]C[5x3,6x5,20x6]C[6a]O)(C[5]C[5x3,6x5,20x6]CH)(H)2{2|C<3>,6|B<6>}	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	107.8410	0.000	1	107.8410	0.000	1	108.5857	4.783	125	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]C[6a]2C[5])(C[5]C[5]CH)(H)2	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]2C[5])(C[5]C[5]CH)(H)2{1|B<3>,1|B<4>,2|H<1>,4|C<3>}	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	108.9675	0.267	2	108.9675	0.071	2	108.5857	4.783	125	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]C[6a]2Ge[5])(C[5]P[5]HH)(H)2	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]2Ge[5])(C[5]P[5]HH)(H)2{4|F<1>,6|C<3>}	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	107.9130	0.066	2	107.9130	0.004	2	108.5857	4.783	125	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]C[6a]2N[5])(C[5]B[5]HH)(H)2	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]2N[5])(C[5]B[5]HH)(H)2{1|H<1>,6|C<3>}	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	109.3090	0.000	1	108.9747	0.313	3	108.5857	4.783	125	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]C[6a]2N[5])(C[5]B[5]HH)(H)2	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]2N[5])(C[5]B[5]HH)(H)2{1|N<2>,6|C<3>}	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	108.3290	0.000	1	108.9747	0.313	3	108.5857	4.783	125	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]C[6a]2N[5])(C[5]B[5]HH)(H)2	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]2N[5])(C[5]B[5]HH)(H)2{1|O<2>,6|C<3>}	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	109.2860	0.000	1	108.9747	0.313	3	108.5857	4.783	125	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]C[6a]2N[5])(C[5]B[5]SiH)(H)2	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]2N[5])(C[5]B[5]SiH)(H)2{1|O<1>,6|C<3>}	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	109.1500	0.000	1	109.2090	0.007	2	108.5857	4.783	125	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]C[6a]2N[5])(C[5]B[5]SiH)(H)2	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]2N[5])(C[5]B[5]SiH)(H)2{1|O<2>,6|C<3>}	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	109.2680	0.000	1	109.2090	0.007	2	108.5857	4.783	125	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]C[6a]2N[5])(C[5]C[5]CH)(H)2	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]2N[5])(C[5]C[5]CH)(H)2{6|C<3>}	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	109.4860	0.000	1	109.4860	0.000	1	108.5857	4.783	125	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]C[6a]2N[5])(C[5]P[5]HH)(H)2	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]2N[5])(C[5]P[5]HH)(H)2{6|C<3>}	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	108.7850	0.000	1	108.7850	0.000	1	108.5857	4.783	125	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]C[6a]2P[5])(C[5]P[5]HH)(H)2	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]2P[5])(C[5]P[5]HH)(H)2{1|C<4>,6|C<3>}	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	108.3427	0.329	3	108.3532	0.086	17	108.5857	4.783	125	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]C[6a]2P[5])(C[5]P[5]HH)(H)2	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]2P[5])(C[5]P[5]HH)(H)2{6|C<3>}	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	108.3555	0.298	14	108.3532	0.086	17	108.5857	4.783	125	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]C[6a]2Se[5])(C[5]P[5]HH)(H)2	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]2Se[5])(C[5]P[5]HH)(H)2{6|C<3>}	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	108.2010	0.000	1	108.2010	0.000	1	108.5857	4.783	125	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]C[6a]B[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]B[5]C)(C[5]C[5]HH)(H)2{1|O<2>,4|C<3>}	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	108.2883	0.508	4	108.4594	0.340	5	108.5857	4.783	125	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]C[6a]B[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]B[5]C)(C[5]C[5]HH)(H)2{2|H<1>,4|C<3>}	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	109.1440	0.000	1	108.4594	0.340	5	108.5857	4.783	125	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]C[6a]C[5]B)(C[5]B[5]HH)(H)2	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]C[5]B)(C[5]B[5]HH)(H)2{1|C<4>,1|H<1>,1|S<3>,3|C<3>}	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	108.4690	0.000	1	108.4690	0.000	1	108.5857	4.783	125	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]C[6a]C[5]B)(C[5]C[5]HH)(H)2	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]C[5]B)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	108.6056	0.087	5	108.6056	0.008	5	108.5857	4.783	125	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]C[6a]C[5]C)(C[5]B[5]HH)(H)2	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]C[5]C)(C[5]B[5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	108.5900	0.000	1	108.5900	0.000	1	108.5857	4.783	125	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]C[6a]C[5]C)(C[5]C[5]BH)(H)2	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]C[5]C)(C[5]C[5]BH)(H)2{2|C<3>,4|H<1>}	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	108.6740	0.000	1	108.6740	0.000	1	108.5857	4.783	125	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]C[6a]C[5]C)(C[5]C[5]HH)(H)2	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]C[5]C)(C[5]C[5]HH)(H)2{1|B<4>,2|C<3>,3|H<1>}	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	108.9020	0.000	1	108.9020	0.000	1	108.5857	4.783	125	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]C[6a]C[5]H)(C[5]B[5]HH)(H)2	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]C[5]H)(C[5]B[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	108.8925	0.110	2	108.8925	0.012	2	108.5857	4.783	125	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]C[6a]C[5]H)(C[5]C[5]BH)(H)2	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]C[5]H)(C[5]C[5]BH)(H)2{2|C<3>,4|H<1>}	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	108.7650	0.000	1	108.7650	0.000	1	108.5857	4.783	125	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|B<4>,2|C<3>,3|H<1>}	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	109.3480	0.000	1	109.3480	0.000	1	108.5857	4.783	125	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]C[6a]C[5]O)(C[5]C[5]HH)(H)2	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]C[5]O)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	108.7250	0.000	1	108.7250	0.000	1	108.5857	4.783	125	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]C[6a]C[5]Pd)(C[5]C[5]HH)(H)2	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]C[5]Pd)(C[5]C[5]HH)(H)2{3|C<3>,3|H<1>}	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	108.6620	0.000	1	108.6620	0.000	1	108.5857	4.783	125	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]C[6a]C[5]Pd)(C[5]C[6a]C[5]H)(H)2	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]C[5]Pd)(C[5]C[6a]C[5]H)(H)2{4|C<3>,4|H<1>}	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	108.6110	0.000	1	108.6110	0.000	1	108.5857	4.783	125	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]C[6a]C[5]Pt)(C[5]C[5]HH)(H)2	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]C[5]Pt)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	108.7235	0.032	2	108.7235	0.001	2	108.5857	4.783	125	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]C[6a]C[5]Rh)(C[5]C[5]HH)(H)2	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]C[5]Rh)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	108.7535	0.159	2	108.7535	0.025	2	108.5857	4.783	125	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]C[6a]C[5]S)(C[5]C[5]HH)(H)2	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]C[5]S)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	110.4916	23.287	2	110.4916	542.281	2	108.5857	4.783	125	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]C[6a]C[6]N[5])(C[5]C[5]HH)(H)2	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]C[6]N[5])(C[5]C[5]HH)(H)2{1|P<4>,2|C<2>,2|C<3>,2|H<1>}	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	109.2480	0.000	1	109.2480	0.000	1	108.5857	4.783	125	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]C[6a]P[5]Fe)(C[5]P[5]HH)(H)2	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]P[5]Fe)(C[5]P[5]HH)(H)2{1|P<3>,3|C<3>}	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	107.9900	0.000	1	107.9900	0.000	1	108.5857	4.783	125	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]C[6a]P[5]W)(C[5]C[5]HH)(H)2	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	C[5](P[5]C[6a]P[5]W)(C[5]C[5]HH)(H)2{1|W<6>,2|H<1>,3|C<3>}	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	107.7915	0.095	2	107.7915	0.009	2	108.5857	4.783	125	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]Ge[5]CC)(C[5]P[5]HH)(H)2	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	C[5](P[5]Ge[5]CC)(C[5]P[5]HH)(H)2{2|C<4>}	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	108.2103	0.030	4	108.2103	0.001	4	108.5857	4.783	125	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]Nb[5,5]CC)(C[5]P[5]HH)(H)2	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	C[5](P[5]Nb[5,5]CC)(C[5]P[5]HH)(H)2{4|Br<1>,2|C<4>,2|P<4>}	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	108.2720	0.075	5	108.2558	0.006	6	108.5857	4.783	125	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]Nb[5,5]CC)(C[5]P[5]HH)(H)2	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	C[5](P[5]Nb[5,5]CC)(C[5]P[5]HH)(H)2{4|Cl<1>,2|C<4>,2|P<4>}	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	108.1750	0.000	1	108.2558	0.006	6	108.5857	4.783	125	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]Nb[5]CC)(C[5]P[5]HH)(H)2	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	C[5](P[5]Nb[5]CC)(C[5]P[5]HH)(H)2{3|Cl<1>,1|O<1>,1|P<4>,2|C<4>}	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	108.3780	0.039	3	108.3780	0.002	3	108.5857	4.783	125	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]Si[5]CC)(C[5]P[5]HH)(H)2	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	C[5](P[5]Si[5]CC)(C[5]P[5]HH)(H)2{4|Br<1>,2|C<4>}	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	108.0920	0.044	2	108.0944	0.014	5	108.5857	4.783	125	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]Si[5]CC)(C[5]P[5]HH)(H)2	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	C[5](P[5]Si[5]CC)(C[5]P[5]HH)(H)2{4|Cl<1>,2|C<4>}	H(C[5]C[5]P[5]H)	H(C[5]C[5]P[5]H)	108.0960	0.163	3	108.0944	0.014	5	108.5857	4.783	125	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	P[5]-4:P[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]C[5,6a]CC)2(H)2	H(C[5]P[5]2H)	H(C[5]P[5]2H)	C[5](P[5]C[5,6a]CC)2(H)2{2|C<3>}	H(C[5]P[5]2H)	H(C[5]P[5]2H)	108.4440	0.000	1	108.4440	0.000	1	107.9568	0.535	10	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	P[5]-4:P[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]C[5,6a]C[6a]2)2(H)2	H(C[5]P[5]2H)	H(C[5]P[5]2H)	C[5](P[5]C[5,6a]C[6a]2)2(H)2{10|C<3>}	H(C[5]P[5]2H)	H(C[5]P[5]2H)	109.0140	0.000	1	109.0140	0.000	1	107.9568	0.535	10	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	P[5]-4:P[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]C[5,6a]C[6a]S)2(H)2	H(C[5]P[5]2H)	H(C[5]P[5]2H)	C[5](P[5]C[5,6a]C[6a]S)2(H)2{6|C<3>}	H(C[5]P[5]2H)	H(C[5]P[5]2H)	108.1440	0.000	1	108.1440	0.000	1	107.9568	0.535	10	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	P[5]-4:P[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]C[6a]2B[5])2(H)2	H(C[5]P[5]2H)	H(C[5]P[5]2H)	C[5](P[5]C[6a]2B[5])2(H)2{10|C<3>}	H(C[5]P[5]2H)	H(C[5]P[5]2H)	108.5360	0.021	2	108.5360	0.000	2	107.9568	0.535	10	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	P[5]-4:P[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]C[6a]2P[5])2(H)2	H(C[5]P[5]2H)	H(C[5]P[5]2H)	C[5](P[5]C[6a]2P[5])2(H)2{2|C<4>,8|C<3>}	H(C[5]P[5]2H)	H(C[5]P[5]2H)	108.2460	0.000	1	108.2460	0.000	1	107.9568	0.535	10	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	P[5]-4:P[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]C[6a]P[5]Os)2(H)2	H(C[5]P[5]2H)	H(C[5]P[5]2H)	C[5](P[5]C[6a]P[5]Os)2(H)2{1|Os<3>,6|C<3>}	H(C[5]P[5]2H)	H(C[5]P[5]2H)	107.4120	0.000	1	107.4120	0.000	1	107.9568	0.535	10	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	P[5]-4:P[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]C[6a]Se[5]Se)2(H)2	H(C[5]P[5]2H)	H(C[5]P[5]2H)	C[5](P[5]C[6a]Se[5]Se)2(H)2{4|C<3>}	H(C[5]P[5]2H)	H(C[5]P[5]2H)	107.2550	0.000	1	107.2550	0.000	1	107.9568	0.535	10	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	P[5]-4:P[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]Se[5]CC)2(H)2	H(C[5]P[5]2H)	H(C[5]P[5]2H)	C[5](P[5]Se[5]CC)2(H)2	H(C[5]P[5]2H)	H(C[5]P[5]2H)	107.0820	0.000	1	107.0820	0.000	1	107.9568	0.535	10	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	P[5]-4:P[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]Se[5]SeC)2(H)2	H(C[5]P[5]2H)	H(C[5]P[5]2H)	C[5](P[5]Se[5]SeC)2(H)2	H(C[5]P[5]2H)	H(C[5]P[5]2H)	106.8990	0.000	1	106.8990	0.000	1	107.9568	0.535	10	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	P[5]-4:Si[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]C[6a]2Ge[5])(Si[5]C[6a]2N[5])(H)2	H(C[5]Si[5]P[5]H)	H(C[5]Si[5]P[5]H)	C[5](P[5]C[6a]2Ge[5])(Si[5]C[6a]2N[5])(H)2{1|Br<1>,9|C<3>}	H(C[5]Si[5]P[5]H)	H(C[5]Si[5]P[5]H)	108.2850	0.000	1	108.1470	0.012	4	108.1071	0.011	9	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	P[5]-4:Si[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]C[6a]2Ge[5])(Si[5]C[6a]2N[5])(H)2	H(C[5]Si[5]P[5]H)	H(C[5]Si[5]P[5]H)	C[5](P[5]C[6a]2Ge[5])(Si[5]C[6a]2N[5])(H)2{1|Cl<1>,9|C<3>}	H(C[5]Si[5]P[5]H)	H(C[5]Si[5]P[5]H)	108.1010	0.068	3	108.1470	0.012	4	108.1071	0.011	9	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	P[5]-4:Si[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]C[6a]2Ge[5])(Si[5]N[5]CC)(H)2	H(C[5]Si[5]P[5]H)	H(C[5]Si[5]P[5]H)	C[5](P[5]C[6a]2Ge[5])(Si[5]N[5]CC)(H)2{1|Br<1>,5|C<3>}	H(C[5]Si[5]P[5]H)	H(C[5]Si[5]P[5]H)	108.1385	0.141	2	108.0832	0.013	4	108.1071	0.011	9	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	P[5]-4:Si[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]C[6a]2Ge[5])(Si[5]N[5]CC)(H)2	H(C[5]Si[5]P[5]H)	H(C[5]Si[5]P[5]H)	C[5](P[5]C[6a]2Ge[5])(Si[5]N[5]CC)(H)2{1|Cl<1>,5|C<3>}	H(C[5]Si[5]P[5]H)	H(C[5]Si[5]P[5]H)	108.0280	0.079	2	108.0832	0.013	4	108.1071	0.011	9	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	P[5]-4:Si[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](P[5]Si[5]CC)(Si[5]N[5]CC)(H)2	H(C[5]Si[5]P[5]H)	H(C[5]Si[5]P[5]H)	C[5](P[5]Si[5]CC)(Si[5]N[5]CC)(H)2{1|Co<7>,1|Si<4>,1|H<1>}	H(C[5]Si[5]P[5]H)	H(C[5]Si[5]P[5]H)	108.0430	0.000	1	108.0430	0.000	1	108.1071	0.011	9	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	S[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](S[5]C[5,5,6]OO)(C[5]C[5]HH)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](S[5]C[5,5,6]OO)(C[5]C[5]HH)(H)2{1|H<1>,3|C<4>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.6790	0.000	1	108.6790	0.000	1	108.7774	0.041	17	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	S[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](S[5]C[5]FeO)(C[5]C[5]HH)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](S[5]C[5]FeO)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.4780	0.000	1	108.4780	0.000	1	108.7774	0.041	17	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	S[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](S[5]C[5]Pt2)(C[5]C[5]HH)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](S[5]C[5]Pt2)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.8130	0.018	2	108.8130	0.000	2	108.7774	0.041	17	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	S[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](S[5]C[5]Ru2)(C[5]C[5]HH)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](S[5]C[5]Ru2)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.7885	0.006	2	108.7885	0.000	2	108.7774	0.041	17	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	S[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](S[5]C[5]RuO)(C[5]C[5]HH)(H)2	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	C[5](S[5]C[5]RuO)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]C[5]S[5]H)	H(C[5]C[5]S[5]H)	108.8050	0.234	11	108.8050	0.055	11	108.7774	0.041	17	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	Si[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](Si[5,5]C[5]3)(C[5]C[5]HH)(H)2	H(C[5]Si[5,5]C[5]H)	H(C[5]Si[5,5]C[5]H)	C[5](Si[5,5]C[5]3)(C[5]C[5]HH)(H)2{4|C<3>,4|H<1>}	H(C[5]Si[5,5]C[5]H)	H(C[5]Si[5,5]C[5]H)	108.9440	0.000	1	108.9440	0.000	1	108.9440	0.000	1	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	Si[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](Si[5]C[5,5,6,6]C[6a]2)(C[5]C[5,5,6,6]C[6a]H)(H)2	H(C[5]Si[5]C[5]H)	H(C[5]Si[5]C[5]H)	C[5](Si[5]C[5,5,6,6]C[6a]2)(C[5]C[5,5,6,6]C[6a]H)(H)2{10|C<3>}	H(C[5]Si[5]C[5]H)	H(C[5]Si[5]C[5]H)	109.5700	0.000	1	109.5700	0.000	1	108.9533	0.090	14	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	Si[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](Si[5]C[5,6a]CO)(C[5]C[5,6a]HH)(H)2	H(C[5]Si[5]C[5]H)	H(C[5]Si[5]C[5]H)	C[5](Si[5]C[5,6a]CO)(C[5]C[5,6a]HH)(H)2{2|C<3>}	H(C[5]Si[5]C[5]H)	H(C[5]Si[5]C[5]H)	108.8270	0.035	2	108.8270	0.001	2	108.9533	0.090	14	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	Si[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](Si[5]C[5,6a]C[6a]Rh)(C[5]C[5,6a]CH)(H)2	H(C[5]Si[5]C[5]H)	H(C[5]Si[5]C[5]H)	C[5](Si[5]C[5,6a]C[6a]Rh)(C[5]C[5,6a]CH)(H)2{4|C<3>}	H(C[5]Si[5]C[5]H)	H(C[5]Si[5]C[5]H)	108.7090	0.000	1	108.7090	0.000	1	108.9533	0.090	14	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	Si[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](Si[5]C[5]CC)(C[5]C[5]HO)(H)2	H(C[5]Si[5]C[5]H)	H(C[5]Si[5]C[5]H)	C[5](Si[5]C[5]CC)(C[5]C[5]HO)(H)2{1|C<3>,1|H<1>}	H(C[5]Si[5]C[5]H)	H(C[5]Si[5]C[5]H)	108.6020	0.000	1	108.6725	0.010	2	108.9533	0.090	14	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	Si[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](Si[5]C[5]CC)(C[5]C[5]HO)(H)2	H(C[5]Si[5]C[5]H)	H(C[5]Si[5]C[5]H)	C[5](Si[5]C[5]CC)(C[5]C[5]HO)(H)2{2|C<3>}	H(C[5]Si[5]C[5]H)	H(C[5]Si[5]C[5]H)	108.7430	0.000	1	108.6725	0.010	2	108.9533	0.090	14	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	Si[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](Si[5]C[5]CC)(C[5]N[5]CH)(H)2	H(C[5]Si[5]C[5]H)	H(C[5]Si[5]C[5]H)	C[5](Si[5]C[5]CC)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	H(C[5]Si[5]C[5]H)	H(C[5]Si[5]C[5]H)	108.7680	0.117	2	108.7680	0.014	2	108.9533	0.090	14	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	Si[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](Si[5]C[5]Cl2)(C[5]C[5]HH)(H)2	H(C[5]Si[5]C[5]H)	H(C[5]Si[5]C[5]H)	C[5](Si[5]C[5]Cl2)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]Si[5]C[5]H)	H(C[5]Si[5]C[5]H)	109.2165	0.019	2	109.2165	0.000	2	108.9533	0.090	14	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	Si[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](Si[5]C[5]OO)(C[5]C[5]HH)(H)2	H(C[5]Si[5]C[5]H)	H(C[5]Si[5]C[5]H)	C[5](Si[5]C[5]OO)(C[5]C[5]HH)(H)2{4|H<1>}	H(C[5]Si[5]C[5]H)	H(C[5]Si[5]C[5]H)	108.8550	0.413	2	108.8550	0.171	2	108.9533	0.090	14	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	Si[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](Si[5]C[6a]C[5]2)(C[5]C[5]HH)(H)2	H(C[5]Si[5]C[5]H)	H(C[5]Si[5]C[5]H)	C[5](Si[5]C[6a]C[5]2)(C[5]C[5]HH)(H)2{1|C<4>,3|C<3>,5|H<1>}	H(C[5]Si[5]C[5]H)	H(C[5]Si[5]C[5]H)	109.1945	0.050	2	109.1945	0.003	2	108.9533	0.090	14	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	Si[5]-4:Si[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](Si[5]C[5,6a]CC)2(H)2	H(C[5]Si[5]2H)	H(C[5]Si[5]2H)	C[5](Si[5]C[5,6a]CC)2(H)2{2|C<3>}	H(C[5]Si[5]2H)	H(C[5]Si[5]2H)	108.7607	0.159	3	108.7607	0.025	3	108.3660	0.305	5	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	4:4:1:1:	4:	4:	Si[5]-4:Si[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](Si[5]Si[5,5]CC)2(H)2	H(C[5]Si[5]2H)	H(C[5]Si[5]2H)	C[5](Si[5]Si[5,5]CC)2(H)2{4|Si<4>}	H(C[5]Si[5]2H)	H(C[5]Si[5]2H)	107.7740	0.013	2	107.7740	0.000	2	108.3660	0.305	5	108.8534	1.485	21986	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	5:2:1:1:	4:	4:	C[5]-5:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CHW)(O[5]C[5])(H)2	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	C[5](C[5]C[5]CHW)(O[5]C[5])(H)2{3|H<1>}	H(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]H)	108.3560	0.000	1	108.3560	0.000	1	108.3560	0.000	1	108.3560	0.000	1	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	5:3:1:1:	4:	4:	C[3,5]-5:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]HfN)(C[5]C[5]C)(H)2	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]HfN)(C[5]C[5]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]H)	108.8160	0.000	1	108.8160	0.000	1	108.8160	0.000	1	108.5859	0.476	20	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	5:3:1:1:	4:	4:	C[3x3,4x5,12x6]-5:C[5,6]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x3,4x5,12x6]B[3x3,3x5,12x6]B[4x3,4x5,12x6]B[5x3,3x5,11x6]2)(C[5,6]N[5,6]C[6])(H)2	H(C[5]C[3x3,4x5,12x6]C[5,6]H)	H(C[5]C[3x3,4x5,12x6]C[5,6]H)	C[5](C[3x3,4x5,12x6]B[3x3,3x5,12x6]B[4x3,4x5,12x6]B[5x3,3x5,11x6]2)(C[5,6]N[5,6]C[6])(H)2{1|H<2>,2|C<3>,4|H<1>,5|B<6>}	H(C[5]C[3x3,4x5,12x6]C[5,6]H)	H(C[5]C[3x3,4x5,12x6]C[5,6]H)	108.7840	0.000	1	108.7840	0.000	1	108.7840	0.000	1	108.5859	0.476	20	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	5:3:1:1:	4:	4:	C[5,6]-5:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2Ru)(N[5]C[5]C)(H)2	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	C[5](C[5,6]C[5]C[6]2Ru)(N[5]C[5]C)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,6]N[5]H)	H(C[5]C[5,6]N[5]H)	106.7450	0.000	1	106.7450	0.000	1	106.7450	0.000	1	108.5859	0.476	20	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	5:3:1:1:	4:	4:	Ge[3,3,5]-5:C[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](Ge[3,3,5]B[3,3]C[5]N[3]2)(C[5]C[5]C)(H)2	H(C[5]Ge[3,3,5]C[5]H)	H(C[5]Ge[3,3,5]C[5]H)	C[5](Ge[3,3,5]B[3,3]C[5]N[3]2)(C[5]C[5]C)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[5]Ge[3,3,5]C[5]H)	H(C[5]Ge[3,3,5]C[5]H)	109.0330	0.017	3	109.0330	0.000	3	109.0330	0.000	3	108.5859	0.476	20	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	5:3:1:1:	4:	4:	Si[5,5]-5:N[5,6]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](Si[5,5]C[5]O[5]2C)(N[5,6]C[5,6]C[6])(H)2	H(C[5]Si[5,5]N[5,6]H)	H(C[5]Si[5,5]N[5,6]H)	C[5](Si[5,5]C[5]O[5]2C)(N[5,6]C[5,6]C[6])(H)2{1|Cl<1>,1|N<3>,2|H<1>,3|C<3>}	H(C[5]Si[5,5]N[5,6]H)	H(C[5]Si[5,5]N[5,6]H)	108.5017	0.047	3	108.4859	0.005	12	108.4859	0.005	12	108.5859	0.476	20	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	5:3:1:1:	4:	4:	Si[5,5]-5:N[5,6]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](Si[5,5]C[5]O[5]2C)(N[5,6]C[5,6]C[6])(H)2	H(C[5]Si[5,5]N[5,6]H)	H(C[5]Si[5,5]N[5,6]H)	C[5](Si[5,5]C[5]O[5]2C)(N[5,6]C[5,6]C[6])(H)2{1|N<3>,3|C<3>,3|H<1>}	H(C[5]Si[5,5]N[5,6]H)	H(C[5]Si[5,5]N[5,6]H)	108.4807	0.078	9	108.4859	0.005	12	108.4859	0.005	12	108.5859	0.476	20	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	5:3:1:1:	4:	4:	Si[5]-5:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](Si[5]O[5]CCF)(N[5]C[5]C)(H)2	H(C[5]Si[5]N[5]H)	H(C[5]Si[5]N[5]H)	C[5](Si[5]O[5]CCF)(N[5]C[5]C)(H)2{1|C<4>}	H(C[5]Si[5]N[5]H)	H(C[5]Si[5]N[5]H)	107.8100	0.000	1	107.8100	0.000	1	109.2215	3.985	2	108.5859	0.476	20	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	5:3:1:1:	4:	4:	Si[5]-5:N[5]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](Si[5]O[5]ClCC)(N[5]C[5]N)(H)2	H(C[5]Si[5]N[5]H)	H(C[5]Si[5]N[5]H)	C[5](Si[5]O[5]ClCC)(N[5]C[5]N)(H)2{1|C<4>}	H(C[5]Si[5]N[5]H)	H(C[5]Si[5]N[5]H)	110.6330	0.000	1	110.6330	0.000	1	109.2215	3.985	2	108.5859	0.476	20	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	5:4:1:1:	4:	4:	C[3,3,4,4,3x5,10x6]-5:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,3,4,4,3x5,10x6]B[4x3,4,4x5,18x6]2C[3x3,4,5,5,9x6]B[3x3,4,5,9x6])(C[5]C[5]HH)(H)2	H(C[5]C[3,3,4,4,3x5,10x6]C[5]H)	H(C[5]C[3,3,4,4,3x5,10x6]C[5]H)	C[5](C[3,3,4,4,3x5,10x6]B[4x3,4,4x5,18x6]2C[3x3,4,5,5,9x6]B[3x3,4,5,9x6])(C[5]C[5]HH)(H)2{5|H<1>,6|B<6>}	H(C[5]C[3,3,4,4,3x5,10x6]C[5]H)	H(C[5]C[3,3,4,4,3x5,10x6]C[5]H)	108.8800	0.000	1	108.8800	0.000	1	108.2645	0.758	2	108.6893	3.266	45	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	5:4:1:1:	4:	4:	C[3,3,4,4,3x5,10x6]-5:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,3,4,4,3x5,10x6]B[4x3,4,5x5,19x6]2B[5x3,3x5,14x6]C[3,4,4,5,4x6])(C[5]C[5]HH)(H)2	H(C[5]C[3,3,4,4,3x5,10x6]C[5]H)	H(C[5]C[3,3,4,4,3x5,10x6]C[5]H)	C[5](C[3,3,4,4,3x5,10x6]B[4x3,4,5x5,19x6]2B[5x3,3x5,14x6]C[3,4,4,5,4x6])(C[5]C[5]HH)(H)2{5|H<1>,6|B<6>}	H(C[5]C[3,3,4,4,3x5,10x6]C[5]H)	H(C[5]C[3,3,4,4,3x5,10x6]C[5]H)	107.6490	0.000	1	107.6490	0.000	1	108.2645	0.758	2	108.6893	3.266	45	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	5:4:1:1:	4:	4:	C[3,3x5,3x6]-5:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,3x5,3x6]B[4x3,3x5,11x6]B[3x3,5,5,6x6]C[3,3x5,3x6]Ni)(C[5]C[5]HH)(H)2	H(C[5]C[3,3x5,3x6]C[5]H)	H(C[5]C[3,3x5,3x6]C[5]H)	C[5](C[3,3x5,3x6]B[4x3,3x5,11x6]B[3x3,5,5,6x6]C[3,3x5,3x6]Ni)(C[5]C[5]HH)(H)2{1|B<5>,1|B<7>,4|B<6>,4|H<1>}	H(C[5]C[3,3x5,3x6]C[5]H)	H(C[5]C[3,3x5,3x6]C[5]H)	109.0290	0.000	1	109.0290	0.000	1	109.0290	0.000	1	108.6893	3.266	45	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	5:4:1:1:	4:	4:	C[3,4,5,3x6]-5:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,4,5,3x6]B[4x3,4,5,5,5x6]B[3x3,5,5x6]C[4,4,5,4x6]Ni)(C[5]C[5]HH)(H)2	H(C[5]C[3,4,5,3x6]C[5]H)	H(C[5]C[3,4,5,3x6]C[5]H)	C[5](C[3,4,5,3x6]B[4x3,4,5,5,5x6]B[3x3,5,5x6]C[4,4,5,4x6]Ni)(C[5]C[5]HH)(H)2{2|B<5>,3|B<6>,4|H<1>}	H(C[5]C[3,4,5,3x6]C[5]H)	H(C[5]C[3,4,5,3x6]C[5]H)	109.0240	0.000	1	109.0240	0.000	1	108.8964	0.016	7	108.6893	3.266	45	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	5:4:1:1:	4:	4:	C[3,4,5,3x6]-5:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,4,5,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[3,4,5,3x6]Co)(C[5]C[5]HH)(H)2	H(C[5]C[3,4,5,3x6]C[5]H)	H(C[5]C[3,4,5,3x6]C[5]H)	C[5](C[3,4,5,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[3,4,5,3x6]Co)(C[5]C[5]HH)(H)2{4|H<1>,5|B<6>}	H(C[5]C[3,4,5,3x6]C[5]H)	H(C[5]C[3,4,5,3x6]C[5]H)	108.7978	0.037	4	108.7978	0.001	4	108.8964	0.016	7	108.6893	3.266	45	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	5:4:1:1:	4:	4:	C[3,4,5,3x6]-5:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,4,5,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[3,4,5,3x6]Ru)(C[5]C[5]HH)(H)2	H(C[5]C[3,4,5,3x6]C[5]H)	H(C[5]C[3,4,5,3x6]C[5]H)	C[5](C[3,4,5,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[3,4,5,3x6]Ru)(C[5]C[5]HH)(H)2{4|H<1>,5|B<6>}	H(C[5]C[3,4,5,3x6]C[5]H)	H(C[5]C[3,4,5,3x6]C[5]H)	109.0300	0.047	2	109.0300	0.002	2	108.8964	0.016	7	108.6893	3.266	45	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	5:4:1:1:	4:	4:	C[3x3,3x5,11x6]-5:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x3,3x5,11x6]B[3x3,5,5,13x6]B[5x3,3x5,5x6]B[5x3,5,5,8x6]C[3x3,5,5,8x6])(C[5]C[5]HH)(H)2	H(C[5]C[3x3,3x5,11x6]C[5]H)	H(C[5]C[3x3,3x5,11x6]C[5]H)	C[5](C[3x3,3x5,11x6]B[3x3,5,5,13x6]B[5x3,3x5,5x6]B[5x3,5,5,8x6]C[3x3,5,5,8x6])(C[5]C[5]HH)(H)2{1|B<5>,1|B<7>,3|B<6>,5|H<1>}	H(C[5]C[3x3,3x5,11x6]C[5]H)	H(C[5]C[3x3,3x5,11x6]C[5]H)	108.7600	0.000	1	108.7600	0.000	1	108.7600	0.000	1	108.6893	3.266	45	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	5:4:1:1:	4:	4:	C[3x3,3x5,4x6]-5:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x3,3x5,4x6]B[3x3,5,5,4x6]B[5x3,5,5,3x6]2C[3x3,3x5,4x6])(C[5]C[5]HH)(H)2	H(C[5]C[3x3,3x5,4x6]C[5]H)	H(C[5]C[3x3,3x5,4x6]C[5]H)	C[5](C[3x3,3x5,4x6]B[3x3,5,5,4x6]B[5x3,5,5,3x6]2C[3x3,3x5,4x6])(C[5]C[5]HH)(H)2{1|Sn<6>,1|B<7>,4|B<6>,5|H<1>}	H(C[5]C[3x3,3x5,4x6]C[5]H)	H(C[5]C[3x3,3x5,4x6]C[5]H)	108.5545	0.101	2	108.5545	0.010	2	108.5545	0.010	2	108.6893	3.266	45	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	5:4:1:1:	4:	4:	C[3x3,4,3x5,9x6]-5:Si[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x3,4,3x5,9x6]B[4x3,4,6x5,20x6]C[3x3,4,3x5,9x6]B[5x3,4x5,15x6]B[6x3,7x5,24x6])(Si[5]C[5]CC)(H)2	H(C[5]C[3x3,4,3x5,9x6]Si[5]H)	H(C[5]C[3x3,4,3x5,9x6]Si[5]H)	C[5](C[3x3,4,3x5,9x6]B[4x3,4,6x5,20x6]C[3x3,4,3x5,9x6]B[5x3,4x5,15x6]B[6x3,7x5,24x6])(Si[5]C[5]CC)(H)2{5|H<1>,6|B<6>}	H(C[5]C[3x3,4,3x5,9x6]Si[5]H)	H(C[5]C[3x3,4,3x5,9x6]Si[5]H)	108.9220	0.007	2	108.9220	0.000	2	108.9220	0.000	2	108.6893	3.266	45	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	5:4:1:1:	4:	4:	C[3x3,4,5,5,9x6]-5:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x3,4,5,5,9x6]C[3,3,4,4,3x5,10x6]B[4x3,4,4x5,18x6]B[4x3,4,4x5,19x6]B[5x3,3x5,12x6])(C[5]C[5]HH)(H)2	H(C[5]C[3x3,4,5,5,9x6]C[5]H)	H(C[5]C[3x3,4,5,5,9x6]C[5]H)	C[5](C[3x3,4,5,5,9x6]C[3,3,4,4,3x5,10x6]B[4x3,4,4x5,18x6]B[4x3,4,4x5,19x6]B[5x3,3x5,12x6])(C[5]C[5]HH)(H)2{1|B<5>,5|B<6>,5|H<1>}	H(C[5]C[3x3,4,5,5,9x6]C[5]H)	H(C[5]C[3x3,4,5,5,9x6]C[5]H)	108.8080	0.000	1	108.8080	0.000	1	108.8080	0.000	1	108.6893	3.266	45	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	5:4:1:1:	4:	4:	C[3x3,4x5,5x6]-5:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x3,4x5,5x6]B[4x3,4x5,15x6]B[5x3,5,5,6x6]B[5x3,5,5,9x6]C[3x3,4x5,5x6])(C[5]C[5]HH)(H)2	H(C[5]C[3x3,4x5,5x6]C[5]H)	H(C[5]C[3x3,4x5,5x6]C[5]H)	C[5](C[3x3,4x5,5x6]B[4x3,4x5,15x6]B[5x3,5,5,6x6]B[5x3,5,5,9x6]C[3x3,4x5,5x6])(C[5]C[5]HH)(H)2{1|B<5>,1|B<7>,4|B<6>,5|H<1>}	H(C[5]C[3x3,4x5,5x6]C[5]H)	H(C[5]C[3x3,4x5,5x6]C[5]H)	108.5755	0.057	2	108.5755	0.003	2	108.5755	0.003	2	108.6893	3.266	45	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	5:4:1:1:	4:	4:	C[3x3,5,5,8x6]-5:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x3,5,5,8x6]B[6x3,4x5,13x6]C[3x3,3x5,11x6]B[5x3,5,5,8x6]B[3x3,5,4x6])(C[5]C[5]HH)(H)2	H(C[5]C[3x3,5,5,8x6]C[5]H)	H(C[5]C[3x3,5,5,8x6]C[5]H)	C[5](C[3x3,5,5,8x6]B[6x3,4x5,13x6]C[3x3,3x5,11x6]B[5x3,5,5,8x6]B[3x3,5,4x6])(C[5]C[5]HH)(H)2{2|B<5>,4|B<6>,5|H<1>}	H(C[5]C[3x3,5,5,8x6]C[5]H)	H(C[5]C[3x3,5,5,8x6]C[5]H)	108.7630	0.000	1	108.7630	0.000	1	108.7630	0.000	1	108.6893	3.266	45	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	5:4:1:1:	4:	4:	C[3x3,5x5,13x6]-5:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x3,5x5,13x6]B[4x3,5x5,18x6]B[5x3,3x5,14x6]B[5x3,3x5,15x6]C[3x3,5x5,13x6])(C[5]C[5]HH)(H)2	H(C[5]C[3x3,5x5,13x6]C[5]H)	H(C[5]C[3x3,5x5,13x6]C[5]H)	C[5](C[3x3,5x5,13x6]B[4x3,5x5,18x6]B[5x3,3x5,14x6]B[5x3,3x5,15x6]C[3x3,5x5,13x6])(C[5]C[5]HH)(H)2{1|B<5>,5|B<6>,5|H<1>}	H(C[5]C[3x3,5x5,13x6]C[5]H)	H(C[5]C[3x3,5x5,13x6]C[5]H)	108.7530	0.000	1	108.7530	0.000	1	108.7530	0.000	1	108.6893	3.266	45	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	5:4:1:1:	4:	4:	C[4,4,5,4x6]-5:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[4,4,5,4x6]B[3,3,4,4,5,5x6]C[3,4,5,3x6]B[3,4,3x6]Ni)(C[5]C[5]HH)(H)2	H(C[5]C[4,4,5,4x6]C[5]H)	H(C[5]C[4,4,5,4x6]C[5]H)	C[5](C[4,4,5,4x6]B[3,3,4,4,5,5x6]C[3,4,5,3x6]B[3,4,3x6]Ni)(C[5]C[5]HH)(H)2{4|H<1>,5|B<6>}	H(C[5]C[4,4,5,4x6]C[5]H)	H(C[5]C[4,4,5,4x6]C[5]H)	108.8400	0.000	1	108.8400	0.000	1	108.8400	0.000	1	108.6893	3.266	45	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	5:4:1:1:	4:	4:	C[5,6]-5:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]B[6]Cr2)(C[5]C[5]HH)(H)2	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]B[6]Cr2)(C[5]C[5]HH)(H)2{2|B<5>,3|H<1>}	H(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]H)	106.9130	11.580	2	106.9130	134.087	2	106.9130	134.087	2	108.6893	3.266	45	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	5:4:1:1:	4:	4:	C[5]-5:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]COV)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]N[5]COV)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0590	0.000	1	109.0590	0.000	1	108.8741	0.115	8	108.6893	3.266	45	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	5:4:1:1:	4:	4:	C[5]-5:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]CeHH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]O[5]CeHH)(C[5]C[5]HH)(H)2{2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.6230	0.552	2	108.6230	0.304	2	108.8741	0.115	8	108.6893	3.266	45	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	5:4:1:1:	4:	4:	C[5]-5:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]HHU)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]O[5]HHU)(C[5]C[5]HH)(H)2{2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8010	0.000	1	108.8010	0.000	1	108.8741	0.115	8	108.6893	3.266	45	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	5:4:1:1:	4:	4:	C[5]-5:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]NdHH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]O[5]NdHH)(C[5]C[5]HH)(H)2{2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	108.8990	0.356	2	108.8990	0.127	2	108.8741	0.115	8	108.6893	3.266	45	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	5:4:1:1:	4:	4:	C[5]-5:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]O[5]YbHH)(C[5]C[5]HH)(H)2	H(C[5]C[5]2H)	H(C[5]C[5]2H)	C[5](C[5]O[5]YbHH)(C[5]C[5]HH)(H)2{2|H<1>}	H(C[5]C[5]2H)	H(C[5]C[5]2H)	109.0445	0.390	2	109.0445	0.152	2	108.8741	0.115	8	108.6893	3.266	45	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	5:4:1:1:	4:	4:	Si[5]-5:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](Si[5]N[5]DyCC)(C[5]Si[5]HH)(H)2	H(C[5]Si[5]C[5]H)	H(C[5]Si[5]C[5]H)	C[5](Si[5]N[5]DyCC)(C[5]Si[5]HH)(H)2{2|C<4>}	H(C[5]Si[5]C[5]H)	H(C[5]Si[5]C[5]H)	108.8208	0.218	4	108.8208	0.047	4	108.7385	0.025	14	108.6893	3.266	45	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	5:4:1:1:	4:	4:	Si[5]-5:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](Si[5]N[5]EuCC)(C[5]Si[5]HH)(H)2	H(C[5]Si[5]C[5]H)	H(C[5]Si[5]C[5]H)	C[5](Si[5]N[5]EuCC)(C[5]Si[5]HH)(H)2{2|C<4>}	H(C[5]Si[5]C[5]H)	H(C[5]Si[5]C[5]H)	108.6560	0.052	4	108.6560	0.003	4	108.7385	0.025	14	108.6893	3.266	45	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	5:4:1:1:	4:	4:	Si[5]-5:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](Si[5]N[5]HoCC)(C[5]Si[5]HH)(H)2	H(C[5]Si[5]C[5]H)	H(C[5]Si[5]C[5]H)	C[5](Si[5]N[5]HoCC)(C[5]Si[5]HH)(H)2{2|C<4>}	H(C[5]Si[5]C[5]H)	H(C[5]Si[5]C[5]H)	108.7875	0.254	2	108.7875	0.064	2	108.7385	0.025	14	108.6893	3.266	45	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	5:4:1:1:	4:	4:	Si[5]-5:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](Si[5]N[5]TbCC)(C[5]Si[5]HH)(H)2	H(C[5]Si[5]C[5]H)	H(C[5]Si[5]C[5]H)	C[5](Si[5]N[5]TbCC)(C[5]Si[5]HH)(H)2{2|C<4>}	H(C[5]Si[5]C[5]H)	H(C[5]Si[5]C[5]H)	108.7142	0.119	4	108.7142	0.014	4	108.7385	0.025	14	108.6893	3.266	45	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	6:2:1:1:	4:	4:	C[3x3,4x5,12x6]-6:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x3,4x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]C[5x3,4x5,11x6]Ir)(O[5]C[5])(H)2	H(C[5]C[3x3,4x5,12x6]O[5]H)	H(C[5]C[3x3,4x5,12x6]O[5]H)	C[5](C[3x3,4x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]C[5x3,4x5,11x6]Ir)(O[5]C[5])(H)2{5|B<6>,5|H<1>}	H(C[5]C[3x3,4x5,12x6]O[5]H)	H(C[5]C[3x3,4x5,12x6]O[5]H)	108.2390	0.000	1	108.2390	0.000	1	108.2390	0.000	1	108.3695	0.034	2	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	6:2:1:1:	4:	4:	C[5x3,4x5,11x6]-6:O[5]-2:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5x3,4x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,4x5,12x6]B[5x3,5x5,5x6])(O[5]C[5])(H)2	H(C[5]C[5x3,4x5,11x6]O[5]H)	H(C[5]C[5x3,4x5,11x6]O[5]H)	C[5](C[5x3,4x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,4x5,12x6]B[5x3,5x5,5x6])(O[5]C[5])(H)2{1|Ir<9>,4|B<6>,6|H<1>}	H(C[5]C[5x3,4x5,11x6]O[5]H)	H(C[5]C[5x3,4x5,11x6]O[5]H)	108.5000	0.000	1	108.5000	0.000	1	108.5000	0.000	1	108.3695	0.034	2	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	6:3:1:1:	4:	4:	B[5x3,6x5,20x6]-6:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](B[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5]B[5x3,6x5,20x6]C[5,6a]H)	H(C[5]B[5x3,6x5,20x6]C[5,6a]H)	C[5](B[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,6a]C[5,6a]C[6a])(H)2{1|C<3>,1|C<4>,1|C<6>,1|N<2>,4|B<6>,4|H<1>}	H(C[5]B[5x3,6x5,20x6]C[5,6a]H)	H(C[5]B[5x3,6x5,20x6]C[5,6a]H)	108.8390	0.000	1	108.8390	0.000	1	108.8390	0.000	1	109.3780	1.686	5	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	6:3:1:1:	4:	4:	C[5x3,6x5,20x6]-6:C[5,6]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4B[5x3,6x5,20x6])(C[5,6]N[5,6]C[6])(H)2	H(C[5]C[5x3,6x5,20x6]C[5,6]H)	H(C[5]C[5x3,6x5,20x6]C[5,6]H)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4B[5x3,6x5,20x6])(C[5,6]N[5,6]C[6])(H)2{2|C<3>,5|B<6>,5|H<1>}	H(C[5]C[5x3,6x5,20x6]C[5,6]H)	H(C[5]C[5x3,6x5,20x6]C[5,6]H)	111.6960	0.000	1	111.6960	0.000	1	111.6960	0.000	1	109.3780	1.686	5	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	6:3:1:1:	4:	4:	C[5x3,6x5,20x6]-6:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,5x5,20x6])(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5]C[5x3,6x5,20x6]C[5,6a]H)	H(C[5]C[5x3,6x5,20x6]C[5,6a]H)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,5x5,20x6])(C[5,6a]C[5,6a]C[6a])(H)2{2|C<3>,5|B<6>,5|H<1>}	H(C[5]C[5x3,6x5,20x6]C[5,6a]H)	H(C[5]C[5x3,6x5,20x6]C[5,6a]H)	108.7445	0.128	2	108.7445	0.016	2	108.7850	0.013	3	109.3780	1.686	5	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	6:3:1:1:	4:	4:	C[5x3,6x5,20x6]-6:C[5,6a]-3:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,6a]C[5,6a]C[6a])(H)2	H(C[5]C[5x3,6x5,20x6]C[5,6a]H)	H(C[5]C[5x3,6x5,20x6]C[5,6a]H)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,6a]C[5,6a]C[6a])(H)2{2|C<3>,5|B<6>,5|H<1>}	H(C[5]C[5x3,6x5,20x6]C[5,6a]H)	H(C[5]C[5x3,6x5,20x6]C[5,6a]H)	108.8660	0.000	1	108.8660	0.000	1	108.7850	0.013	3	109.3780	1.686	5	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	6:4:1:1:	4:	4:	B[4x3,4,6x5,21x6]-6:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](B[4x3,4,6x5,21x6]C[3x3,4,3x5,14x6]C[3x3,4,4x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[5]C[6a]S[5]Co)(H)2	H(C[5]B[4x3,4,6x5,21x6]C[5]H)	H(C[5]B[4x3,4,6x5,21x6]C[5]H)	C[5](B[4x3,4,6x5,21x6]C[3x3,4,3x5,14x6]C[3x3,4,4x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[5]C[6a]S[5]Co)(H)2{1|S<2>,2|C<3>,3|H<1>,5|B<6>}	H(C[5]B[4x3,4,6x5,21x6]C[5]H)	H(C[5]B[4x3,4,6x5,21x6]C[5]H)	107.8130	0.000	1	107.8130	0.000	1	107.8130	0.000	1	108.4316	0.118	17	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	6:4:1:1:	4:	4:	B[5x3,4x5,11x6]-6:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](B[5x3,4x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]C[3x3,4x5,12x6]B[5x3,5x5,5x6])(C[5]C[5]S[5]Co)(H)2	H(C[5]B[5x3,4x5,11x6]C[5]H)	H(C[5]B[5x3,4x5,11x6]C[5]H)	C[5](B[5x3,4x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]C[3x3,4x5,12x6]B[5x3,5x5,5x6])(C[5]C[5]S[5]Co)(H)2{1|Fe<10>,1|B<5>,1|S<3>,2|C<4>,3|B<6>,3|H<1>}	H(C[5]B[5x3,4x5,11x6]C[5]H)	H(C[5]B[5x3,4x5,11x6]C[5]H)	108.1800	0.000	1	108.1800	0.000	1	108.1800	0.000	1	108.4316	0.118	17	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	6:4:1:1:	4:	4:	B[5x3,6x5,20x6]-6:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](B[5x3,6x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5x3,6x5,20x6])(C[5]C[6a]S[5]Co)(H)2	H(C[5]B[5x3,6x5,20x6]C[5]H)	H(C[5]B[5x3,6x5,20x6]C[5]H)	C[5](B[5x3,6x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5x3,6x5,20x6])(C[5]C[6a]S[5]Co)(H)2{1|S<2>,2|C<3>,3|H<1>,5|B<6>}	H(C[5]B[5x3,6x5,20x6]C[5]H)	H(C[5]B[5x3,6x5,20x6]C[5]H)	107.9340	0.000	1	107.9340	0.000	1	108.1850	0.259	4	108.4316	0.118	17	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	6:4:1:1:	4:	4:	B[5x3,6x5,20x6]-6:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](B[5x3,6x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5x3,6x5,20x6])(C[5]Se[5]CoC)(H)2	H(C[5]B[5x3,6x5,20x6]C[5]H)	H(C[5]B[5x3,6x5,20x6]C[5]H)	C[5](B[5x3,6x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5x3,6x5,20x6])(C[5]Se[5]CoC)(H)2{1|Se<2>,3|H<1>,5|B<6>}	H(C[5]B[5x3,6x5,20x6]C[5]H)	H(C[5]B[5x3,6x5,20x6]C[5]H)	107.9305	0.081	2	107.9305	0.007	2	108.1850	0.259	4	108.4316	0.118	17	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	6:4:1:1:	4:	4:	B[5x3,6x5,20x6]-6:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](B[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]CH)(H)2	H(C[5]B[5x3,6x5,20x6]C[5]H)	H(C[5]B[5x3,6x5,20x6]C[5]H)	C[5](B[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]CH)(H)2{1|C<6>,1|N<3>,4|B<6>,5|H<1>}	H(C[5]B[5x3,6x5,20x6]C[5]H)	H(C[5]B[5x3,6x5,20x6]C[5]H)	108.9450	0.000	1	108.9450	0.000	1	108.1850	0.259	4	108.4316	0.118	17	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	6:4:1:1:	4:	4:	C[3x3,4x5,12x6]-6:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3x3,4x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]C[5x3,4x5,11x6]Ir)(C[5]C[5]HH)(H)2	H(C[5]C[3x3,4x5,12x6]C[5]H)	H(C[5]C[3x3,4x5,12x6]C[5]H)	C[5](C[3x3,4x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]C[5x3,4x5,11x6]Ir)(C[5]C[5]HH)(H)2{5|B<6>,5|H<1>}	H(C[5]C[3x3,4x5,12x6]C[5]H)	H(C[5]C[3x3,4x5,12x6]C[5]H)	108.5095	0.050	2	108.5095	0.003	2	108.5095	0.003	2	108.4316	0.118	17	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	6:4:1:1:	4:	4:	C[5x3,4x5,11x6]-6:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5x3,4x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,4x5,12x6]B[5x3,5x5,5x6])(C[5]C[5]HH)(H)2	H(C[5]C[5x3,4x5,11x6]C[5]H)	H(C[5]C[5x3,4x5,11x6]C[5]H)	C[5](C[5x3,4x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,4x5,12x6]B[5x3,5x5,5x6])(C[5]C[5]HH)(H)2{1|Ir<9>,4|B<6>,6|H<1>}	H(C[5]C[5x3,4x5,11x6]C[5]H)	H(C[5]C[5x3,4x5,11x6]C[5]H)	108.7660	0.040	2	108.7660	0.002	2	108.7660	0.002	2	108.4316	0.118	17	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	6:4:1:1:	4:	4:	C[5x3,6x5,20x6]-6:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]HH)(H)2	H(C[5]C[5x3,6x5,20x6]C[5]H)	H(C[5]C[5x3,6x5,20x6]C[5]H)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]HH)(H)2{1|B<3>,5|B<6>,5|H<1>}	H(C[5]C[5x3,6x5,20x6]C[5]H)	H(C[5]C[5x3,6x5,20x6]C[5]H)	108.5380	0.000	1	108.5407	0.011	3	108.5790	0.006	7	108.4316	0.118	17	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	6:4:1:1:	4:	4:	C[5x3,6x5,20x6]-6:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]HH)(H)2	H(C[5]C[5x3,6x5,20x6]C[5]H)	H(C[5]C[5x3,6x5,20x6]C[5]H)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]HH)(H)2{1|C<3>,4|H<1>,5|B<6>}	H(C[5]C[5x3,6x5,20x6]C[5]H)	H(C[5]C[5x3,6x5,20x6]C[5]H)	108.4380	0.000	1	108.5407	0.011	3	108.5790	0.006	7	108.4316	0.118	17	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	6:4:1:1:	4:	4:	C[5x3,6x5,20x6]-6:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]HH)(H)2	H(C[5]C[5x3,6x5,20x6]C[5]H)	H(C[5]C[5x3,6x5,20x6]C[5]H)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]HH)(H)2{5|B<6>,6|H<1>}	H(C[5]C[5x3,6x5,20x6]C[5]H)	H(C[5]C[5x3,6x5,20x6]C[5]H)	108.6460	0.000	1	108.5407	0.011	3	108.5790	0.006	7	108.4316	0.118	17	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	6:4:1:1:	4:	4:	C[5x3,6x5,20x6]-6:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[6a]C[5]H)(H)2	H(C[5]C[5x3,6x5,20x6]C[5]H)	H(C[5]C[5x3,6x5,20x6]C[5]H)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[6a]C[5]H)(H)2{1|C<4>,2|C<3>,5|B<6>,5|H<1>}	H(C[5]C[5x3,6x5,20x6]C[5]H)	H(C[5]C[5x3,6x5,20x6]C[5]H)	108.5950	0.000	1	108.5887	0.000	3	108.5790	0.006	7	108.4316	0.118	17	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	6:4:1:1:	4:	4:	C[5x3,6x5,20x6]-6:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[6a]C[5]H)(H)2	H(C[5]C[5x3,6x5,20x6]C[5]H)	H(C[5]C[5x3,6x5,20x6]C[5]H)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[6a]C[5]H)(H)2{2|C<3>,5|B<6>,6|H<1>}	H(C[5]C[5x3,6x5,20x6]C[5]H)	H(C[5]C[5x3,6x5,20x6]C[5]H)	108.5855	0.009	2	108.5887	0.000	3	108.5790	0.006	7	108.4316	0.118	17	108.8667	1.551	48145	108.8958	1.585	51585
474	951	951	0:SP3_SP-NON_SP-NON	C[5]	H	H	6:4:1:1:	4:	4:	C[5x3,6x5,20x6]-6:C[5]-4:H-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[5]C[5,6]HH)(H)2	H(C[5]C[5x3,6x5,20x6]C[5]H)	H(C[5]C[5x3,6x5,20x6]C[5]H)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[5]C[5,6]HH)(H)2{1|C<3>,4|H<1>,5|B<6>}	H(C[5]C[5x3,6x5,20x6]C[5]H)	H(C[5]C[5x3,6x5,20x6]C[5]H)	108.6650	0.000	1	108.6650	0.000	1	108.5790	0.006	7	108.4316	0.118	17	108.8667	1.551	48145	108.8958	1.585	51585