490	474	818	0:SP3_SP2_SP3	C	C[5,5]	C[5]	4:3:4:2:	4:3:2:4:	4:3:4:	C[5,5]-4:C[5]-3:C-4:O-2:	C[5,5]-4:N[5]-3:O[5]-2:C-4:	C[5]-4:N[5]-3:C-4:	C(C[5,5]C[5,5]N[5]O[5])(C[5]C[5]N[5])(CH3)(OH)	C[5,5](C[5,5]C[5]2C)(N[5]C[5]Co)(O[5]C[5])(CC[5]CO)	C[5](C[5]C[5]CH)(N[5]C[5]Co)(CC[5,5]CO)	C(C[5,5]C[5,5]N[5]O[5])(C[5]C[5]N[5])(CH3)(OH)	C[5,5](C[5,5]C[5]2C)(N[5]C[5]Co)(O[5]C[5])(CC[5]CO){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]Co)(CC[5,5]CO){4|C<4>}	109.1870	0.000	1	109.1870	0.000	1	109.1870	0.000	1	109.1870	0.000	1	109.1870	0.000	1	112.8836	11.162	45
490	474	818	0:SP3_SP2_SP3	C	C[5]	C[5,6]	3:4:1:1:	4:4:3:1:	4:3:4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(H)2	C[5](C[5]O[5]CH)(CC[5,6]HH)(C[5]C[5]C)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]HH)	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(H)2	C[5](C[5]O[5]CH)(CC[5,6]HH)(C[5]C[5]C)(H){1|O<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	115.7230	0.000	1	113.9056	1.370	7	113.7379	1.142	11	113.7379	1.142	11	113.2086	5.995	14	112.8836	11.162	45
490	474	818	0:SP3_SP2_SP3	C	C[5]	C[5,6]	3:4:1:1:	4:4:3:1:	4:3:4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(H)2	C[5](C[5]O[5]CH)(CC[5,6]HH)(C[5]C[5]C)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]HH)	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(H)2	C[5](C[5]O[5]CH)(CC[5,6]HH)(C[5]C[5]C)(H){1|O<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]HH){1|C<3>,2|C<4>,3|H<1>}	113.6027	0.935	6	113.9056	1.370	7	113.7379	1.142	11	113.7379	1.142	11	113.2086	5.995	14	112.8836	11.162	45
490	474	818	0:SP3_SP2_SP3	C	C[5]	C[5,6]	3:4:1:1:	4:4:3:1:	4:3:4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(H)2	C[5](C[5]O[5]CH)(CC[5,6]HH)(C[5]C[5]C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CC[5]HH)	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(H)2	C[5](C[5]O[5]CH)(CC[5,6]HH)(C[5]C[5]C)(H){1|O<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CC[5]HH){1|C<4>,1|O<2>,4|H<1>}	113.0447	0.606	3	113.4445	0.884	4	113.7379	1.142	11	113.7379	1.142	11	113.2086	5.995	14	112.8836	11.162	45
490	474	818	0:SP3_SP2_SP3	C	C[5]	C[5,6]	3:4:1:1:	4:4:3:1:	4:3:4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(H)2	C[5](C[5]O[5]CH)(CC[5,6]HH)(C[5]C[5]C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CC[5]HH)	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(H)2	C[5](C[5]O[5]CH)(CC[5,6]HH)(C[5]C[5]C)(H){1|O<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CC[5]HH){1|C<4>,5|H<1>}	114.6440	0.000	1	113.4445	0.884	4	113.7379	1.142	11	113.7379	1.142	11	113.2086	5.995	14	112.8836	11.162	45
490	474	818	0:SP3_SP2_SP3	C	C[5]	C[5,6]	3:4:1:1:	4:4:4:1:	4:3:4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CC[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]HH)	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CC[5,6]HH)(H){1|O<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	114.7080	0.000	1	114.7080	0.000	1	114.7080	0.000	1	114.7080	0.000	1	113.2086	5.995	14	112.8836	11.162	45
490	474	818	0:SP3_SP2_SP3	C	C[5]	C[5,6]	3:4:2:1:	4:4:3:1:	4:3:4:	C[5,6]-3:C[5]-4:O-2:H-1:	C[5]-4:C-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(OH)(H)	C[5](C[5]O[5]CH)(CC[5,6]HO)(C[5]C[5]C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CC[5]HO)	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(OH)(H)	C[5](C[5]O[5]CH)(CC[5,6]HO)(C[5]C[5]C)(H){1|O<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CC[5]HO){1|C<4>,1|O<2>,4|H<1>}	113.6940	0.000	1	113.6940	0.000	1	113.6940	0.000	1	113.6940	0.000	1	113.2086	5.995	14	112.8836	11.162	45
490	474	818	0:SP3_SP2_SP3	C	C[5]	C[5,6]	3:4:4:4:	3:4:3:1:	4:3:4:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5,6a]-3:C-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5,6a]C[5]H)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(CC[5,6]CC)(C[5]N[5]O)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(CC[5]CC)	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5,6a]C[5]H)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(CC[5,6]CC)(C[5]N[5]O)(H){2|C<3>,2|C<4>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(CC[5]CC){1|C<4>,1|H<1>,2|C<3>}	105.4010	0.000	1	105.4010	0.000	1	105.4010	0.000	1	105.4010	0.000	1	113.2086	5.995	14	112.8836	11.162	45
490	474	818	0:SP3_SP2_SP3	C	C[5]	C[5]	3:3:4:4:	3:3:4:1:	2:2:4:	C[5]-3:C[5]-3:C[5]-4:C-4:	C[5]-3:C[5]-3:C-4:H-1:	N[5]-2:O[5]-2:C-4:	C(C[5]N[5]O[5])2(C[5]C[5]2H)(CH3)	C[5](C[5]C[5]C)2(CC[5]2C)(H)	C[5](N[5]C[5])(O[5]C[5])(CC[5]2C)	C(C[5]N[5]O[5])2(C[5]C[5]2H)(CH3)	C[5](C[5]C[5]C)2(CC[5]2C)(H){2|C<4>}	C[5](N[5]C[5])(O[5]C[5])(CC[5]2C){2|C<4>,2|H<1>}	110.7175	0.026	2	110.7175	0.001	2	110.7175	0.001	2	110.7175	0.001	2	112.8552	13.725	30	112.8836	11.162	45
490	474	818	0:SP3_SP2_SP3	C	C[5]	C[5]	3:4:1:1:	2:3:4:4:	3:3:4:	C[5]-3:C[5]-4:H-1:H-1:	O[5]-2:C[5]-3:C-4:P-4:	N[5,6a]-3:C[5]-3:C-4:	C(C[5]N[5,6a]C[5])(C[5]C[5]O[5]P)(H)2	C[5](O[5]B[5,5])(C[5]O[5]O)(CC[5]HH)(PO3)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[5]HH)	C(C[5]N[5,6a]C[5])(C[5]C[5]O[5]P)(H)2	C[5](O[5]B[5,5])(C[5]O[5]O)(CC[5]HH)(PO3){2|O<2>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[5]HH){2|C<3>,2|H<1>}	112.9910	0.000	1	112.9910	0.000	1	112.9910	0.000	1	112.9910	0.000	1	112.8552	13.725	30	112.8836	11.162	45
490	474	818	0:SP3_SP2_SP3	C	C[5]	C[5]	3:4:1:1:	4:3:4:4:	4:3:4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5,5]-4:C[5]-3:C-4:	C(C[5]C[5,5]C[5])(C[5]C[5]2C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]HH)(CH3)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(CC[5]HH)	C(C[5]C[5,5]C[5])(C[5]C[5]2C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]HH)(CH3){1|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(CC[5]HH){2|C<4>,2|H<1>,3|O<2>}	116.9930	0.018	2	116.9930	0.000	2	116.9930	0.000	2	116.9930	0.000	2	112.8552	13.725	30	112.8836	11.162	45
490	474	818	0:SP3_SP2_SP3	C	C[5]	C[5]	3:4:2:1:	4:2:4:1:	4:2:4:	C[5]-3:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5,5,6]-4:N[5]-2:C-4:	C(C[5]C[5,5,6]N[5])(C[5]C[5]O[5]H)(OC)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(H)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]O[5])(CC[5]HO)	C(C[5]C[5,5,6]N[5])(C[5]C[5]O[5]H)(OC)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(H){2|C<4>}	C[5](C[5,5,6]C[5,5,6]2H)(N[5]O[5])(CC[5]HO){1|N<3>,2|C<4>,2|H<1>}	111.9560	0.000	1	111.9560	0.000	1	111.9560	0.000	1	111.9560	0.000	1	112.8552	13.725	30	112.8836	11.162	45
490	474	818	0:SP3_SP2_SP3	C	C[5]	C[5]	4:3:1:1:	3:3:4:1:	4:3:4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C(C[5]C[5,6a]C[5]H)(C[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[5]HH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]HH)	C(C[5]C[5,6a]C[5]H)(C[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[5]HH)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]HH){2|C<3>,2|H<1>}	116.8340	0.000	1	116.8340	0.000	1	116.8340	0.000	1	116.8340	0.000	1	112.8552	13.725	30	112.8836	11.162	45
490	474	818	0:SP3_SP2_SP3	C	C[5]	C[5]	4:3:1:1:	3:3:4:4:	3:3:4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[5]-3:C-4:	C(C[5]C[5,6a]C[5]C)(C[5]C[5,6a]C[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]HH)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(C[5]C[5,6a]C[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]HH)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(CC[5]HH){1|H<1>,6|C<3>}	113.7000	0.000	1	113.7000	0.000	1	113.7000	0.000	1	113.7000	0.000	1	112.8552	13.725	30	112.8836	11.162	45
490	474	818	0:SP3_SP2_SP3	C	C[5]	C[5]	4:3:1:1:	3:4:4:1:	3:3:4:	C[5]-4:C[5]-3:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	N[5]-3:N[5]-3:C-4:	C(C[5]C[5]N[5]H)(C[5]N[5]2)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(CC[5]HH)(H)	C[5](N[5]C[5]C)2(CC[5]HH)	C(C[5]C[5]N[5]H)(C[5]N[5]2)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(CC[5]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C[5](N[5]C[5]C)2(CC[5]HH){2|C<4>}	115.5380	0.000	1	115.5380	0.000	1	115.5380	0.000	1	115.5380	0.000	1	112.8552	13.725	30	112.8836	11.162	45
490	474	818	0:SP3_SP2_SP3	C	C[5]	C[5]	4:3:1:1:	3:4:4:1:	4:3:4:	C[5]-4:C[5]-3:H-1:H-1:	N[5,5a]-3:C[5,5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C(C[5]N[5,5a]C[5,5]H)(C[5]C[5]2)(H)2	C[5](N[5,5a]N[5,5a]C[5a])(C[5,5]C[5,5]N[5]H)(CC[5]HH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]2)(CC[5]HH)	C(C[5]N[5,5a]C[5,5]H)(C[5]C[5]2)(H)2	C[5](N[5,5a]N[5,5a]C[5a])(C[5,5]C[5,5]N[5]H)(CC[5]HH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(CC[5]HH){1|C<4>,1|N<3>,1|O<2>,4|H<1>}	116.6160	0.000	1	116.6160	0.000	1	116.6160	0.000	1	116.6160	0.000	1	112.8552	13.725	30	112.8836	11.162	45
490	474	818	0:SP3_SP2_SP3	C	C[5]	C[5]	4:3:1:1:	4:2:4:1:	3:3:4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C(C[5]C[5]O[5]H)(C[5]C[5]2)(H)2	C[5](C[5]C[5]CC)(O[5]N[5])(CC[5]HH)(H)	C[5](C[5]C[5,6]C[6a])(C[5]N[5]O)(CC[5]HH)	C(C[5]C[5]O[5]H)(C[5]C[5]2)(H)2	C[5](C[5]C[5]CC)(O[5]N[5])(CC[5]HH)(H){1|C<3>}	C[5](C[5]C[5,6]C[6a])(C[5]N[5]O)(CC[5]HH){1|C<4>,4|C<3>}	113.8690	0.000	1	113.8690	0.000	1	113.8690	0.000	1	113.8690	0.000	1	112.8552	13.725	30	112.8836	11.162	45
490	474	818	0:SP3_SP2_SP3	C	C[5]	C[5]	4:3:1:1:	4:2:4:4:	4:3:4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C[5]-3:C-4:	C(C[5]C[5]O[5]C)(C[5]C[5]2)(H)2	C[5](C[5]C[5]CC)(O[5]C[5])(CC[5]HH)(CHHO)	C[5](C[5]C[5]CC)(C[5]C[5]H)(CC[5]HH)	C(C[5]C[5]O[5]C)(C[5]C[5]2)(H)2	C[5](C[5]C[5]CC)(O[5]C[5])(CC[5]HH)(CHHO){1|O<1>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]H)(CC[5]HH){1|C<4>,3|H<1>}	114.7380	0.000	1	114.7380	0.000	1	114.7380	0.000	1	114.7380	0.000	1	112.8552	13.725	30	112.8836	11.162	45
490	474	818	0:SP3_SP2_SP3	C	C[5]	C[5]	4:3:1:1:	4:3:4:1:	3:3:4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C(C[5]C[5]2H)(C[5]C[5]2)(H)2	C[5](C[5]C[3,5]C[5]C)(C[5]C[3,5]C)(CC[5]HH)(H)	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[5]HH)	C(C[5]C[5]2H)(C[5]C[5]2)(H)2	C[5](C[5]C[3,5]C[5]C)(C[5]C[3,5]C)(CC[5]HH)(H){1|C<4>,2|O<2>,3|H<1>}	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[5]HH){1|O<1>}	111.8000	0.000	1	111.8000	0.000	1	111.8000	0.000	1	114.4385	13.923	2	112.8552	13.725	30	112.8836	11.162	45
490	474	818	0:SP3_SP2_SP3	C	C[5]	C[5]	4:3:1:1:	4:3:4:1:	3:3:4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:N[5]-3:C-4:	C(C[5]C[5]N[5]H)(C[5]N[5]2)(H)2	C[5](C[5]C[5]CC)(N[5]C[5]C)(CC[5]HH)(H)	C[5](N[5]C[5]C)2(CC[5]HH)	C(C[5]C[5]N[5]H)(C[5]N[5]2)(H)2	C[5](C[5]C[5]CC)(N[5]C[5]C)(CC[5]HH)(H){2|C<4>,2|H<1>}	C[5](N[5]C[5]C)2(CC[5]HH){2|C<4>}	117.0770	0.000	1	117.0770	0.000	1	117.0770	0.000	1	114.4385	13.923	2	112.8552	13.725	30	112.8836	11.162	45
490	474	818	0:SP3_SP2_SP3	C	C[5]	C[5]	4:3:1:1:	4:3:4:4:	3:3:4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-3:C[5]-3:C-4:	C(C[5]C[5]2C)(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]HH)(CH3)	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HH)	C(C[5]C[5]2C)(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]HH)(CH3){1|C<4>,2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HH){4|H<1>}	116.0990	0.000	1	116.0990	0.000	1	116.0990	0.000	1	116.0990	0.000	1	112.8552	13.725	30	112.8836	11.162	45
490	474	818	0:SP3_SP2_SP3	C	C[5]	C[5]	4:3:1:1:	4:4:4:1:	3:4:4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-3:C[5]-4:C-4:	C(C[5]C[5,5]C[5]H)(C[5]C[5]2)(H)2	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(CC[5]HH)(H)	C[5](C[5]C[5,6]C[5])(C[5]C[5]HH)(CC[5]HH)	C(C[5]C[5,5]C[5]H)(C[5]C[5]2)(H)2	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(CC[5]HH)(H){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5]C[5,6]C[5])(C[5]C[5]HH)(CC[5]HH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	116.3540	0.000	1	116.3540	0.000	1	116.3540	0.000	1	116.3540	0.000	1	112.8552	13.725	30	112.8836	11.162	45
490	474	818	0:SP3_SP2_SP3	C	C[5]	C[5]	4:3:1:1:	4:4:4:1:	4:3:4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C(C[5]C[5,5]C[5]H)(C[5]C[5]2)(H)2	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(CC[5]HH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]2)(CC[5]HH)	C(C[5]C[5,5]C[5]H)(C[5]C[5]2)(H)2	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(CC[5]HH)(H){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(CC[5]HH){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	115.2480	0.000	1	115.2480	0.000	1	115.2480	0.000	1	113.9045	3.610	2	112.8552	13.725	30	112.8836	11.162	45
490	474	818	0:SP3_SP2_SP3	C	C[5]	C[5]	4:3:1:1:	4:4:4:1:	4:3:4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C(C[5]C[5]2H)(C[5]C[5]2)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CC[5]HH)	C(C[5]C[5]2H)(C[5]C[5]2)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HH)(H){4|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(CC[5]HH){1|O<1>,2|H<1>}	112.5610	0.000	1	112.5610	0.000	1	112.5610	0.000	1	113.9045	3.610	2	112.8552	13.725	30	112.8836	11.162	45
490	474	818	0:SP3_SP2_SP3	C	C[5]	C[5]	4:3:2:1:	4:3:4:4:	3:3:4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-3:C[5]-3:C-4:	C(C[5]C[5]2C)(C[5]C[5]2)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]HO)(CH3)	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HO)	C(C[5]C[5]2C)(C[5]C[5]2)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]HO)(CH3){1|C<4>,2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HO){4|H<1>}	114.8660	0.000	1	114.8660	0.000	1	114.8660	0.000	1	114.8660	0.000	1	112.8552	13.725	30	112.8836	11.162	45
490	474	818	0:SP3_SP2_SP3	C	C[5]	C[5]	4:3:2:1:	4:3:4:4:	4:3:4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:C-4:	C(C[5]C[5]2C)(C[5]C[5]2)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HO)(CH3)	C[5](C[5]C[5]CH)(C[5]O[5]C)(CC[5]HO)	C(C[5]C[5]2C)(C[5]C[5]2)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HO)(CH3){1|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]C)(CC[5]HO){1|O<1>}	119.5280	0.000	1	119.5280	0.000	1	119.5280	0.000	1	119.5280	0.000	1	112.8552	13.725	30	112.8836	11.162	45
490	474	818	0:SP3_SP2_SP3	C	C[5]	C[5]	4:3:3:1:	3:2:4:1:	3:2:4:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-3:O[5]-2:C-4:	C(C[5]C[5]O[5]H)(C[5]C[5]O[5])(CCC)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CC[5]CH)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CC[5]CH)	C(C[5]C[5]O[5]H)(C[5]C[5]O[5])(CCC)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CC[5]CH)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]H)(O[5]C[5])(CC[5]CH){1|O<1>,2|C<4>}	110.1740	0.000	1	110.1740	0.000	1	110.1740	0.000	1	110.1740	0.000	1	112.8552	13.725	30	112.8836	11.162	45
490	474	818	0:SP3_SP2_SP3	C	C[5]	C[5]	4:3:3:1:	3:2:4:1:	4:3:4:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C(C[5]C[5]O[5]H)(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5,5]O)(O[5]C[5,5])(CC[5]CH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[5]CH)	C(C[5]C[5]O[5]H)(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5,5]O)(O[5]C[5,5])(CC[5]CH)(H){1|O<2>,3|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[5]CH){1|C<3>,2|H<1>}	110.9570	0.000	1	110.9570	0.000	1	110.9570	0.000	1	110.9570	0.000	1	112.8552	13.725	30	112.8836	11.162	45
490	474	818	0:SP3_SP2_SP3	C	C[5]	C[5]	4:3:3:1:	3:3:4:1:	3:3:4:	C[5]-4:C[5]-3:C-3:H-1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C(C[5]C[5,6a]C[5]H)(C[5]C[5]2)(CC[6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]CH)(H)	C[5](C[5]C[5]O)(C[5]O[5]O)(CC[5]CH)	C(C[5]C[5,6a]C[5]H)(C[5]C[5]2)(CC[6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]CH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]O)(C[5]O[5]O)(CC[5]CH){2|H<1>}	112.1740	0.000	1	112.1740	0.000	1	112.1740	0.000	1	112.1740	0.000	1	112.8552	13.725	30	112.8836	11.162	45
490	474	818	0:SP3_SP2_SP3	C	C[5]	C[5]	4:3:3:1:	4:4:2:3:	4:3:3:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C-4:C[5]-4:O[5]-2:C-3:	C-4:C[5]-3:C[5]-3:	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](CC[6a]C[5]H)(C[5]C[5]HH)(O[5]N[5])(COO)	C[5](CC[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]O)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](CC[6a]C[5]H)(C[5]C[5]HH)(O[5]N[5])(COO){1|C<3>}	C[5](CC[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]O){1|C<3>,1|O<1>}	108.6810	0.000	1	108.6810	0.000	1	108.6810	0.000	1	108.6810	0.000	1	112.8552	13.725	30	112.8836	11.162	45
490	474	818	0:SP3_SP2_SP3	C	C[5]	C[5]	4:3:3:3:	3:3:4:1:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C-4:C[5]-3:C[5]-3:	C(C[5]C[5,6a]2H)(C[6a]C[6a]2)2(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]2C[5])(H)	C[5](CC[6a]2C[5])(C[5]C[5]H)2	C(C[5]C[5,6a]2H)(C[6a]C[6a]2)2(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]2C[5])(H){2|H<1>,4|C<3>}	C[5](CC[6a]2C[5])(C[5]C[5]H)2{1|C<4>,2|H<1>}	104.0320	0.000	1	104.0320	0.000	1	104.0320	0.000	1	104.0320	0.000	1	112.8552	13.725	30	112.8836	11.162	45
490	474	818	0:SP3_SP2_SP3	C	C[5]	C[5]	4:3:4:1:	3:2:4:1:	3:3:4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C(C[5]C[5]O[5]H)(C[5]C[5]2)(CC[6]HH)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CC[5]CH)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CC[5]CH)	C(C[5]C[5]O[5]H)(C[5]C[5]2)(CC[6]HH)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CC[5]CH)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]H)(C[5]O[5]O)(CC[5]CH){2|H<1>}	108.8884	2.742	5	108.8884	7.520	5	108.8884	7.520	5	108.8884	7.520	5	112.8552	13.725	30	112.8836	11.162	45
490	474	830	0:SP3_SP-NON_SP3	C	C[3x5,6]	F	4:1:1:1:	4:4:2:4:	4:	C[3x5,6]-4:F-1:F-1:F-1:	C[3x5,6,6]-4:C[4,5,5,6]-4:O[5,5]-2:C-4:	C-4:	C(C[3x5,6]C[3x5,6,6]C[4,5,5,6]O[5,5])(F)3	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])(CF3)	F(CC[3x5,6]FF)	C(C[3x5,6]C[3x5,6,6]C[4,5,5,6]O[5,5])(F)3	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])(CF3){1|O<2>,3|C<4>,4|H<1>}	F(CC[3x5,6]FF)	112.0507	1.765	3	112.0507	3.116	3	112.0507	3.116	3	112.0507	3.116	3	112.0507	3.116	3	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,5,3x6]	F	4:1:1:1:	4:4:4:4:	4:	C[5,5,3x6]-4:F-1:F-1:F-1:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[5,5,6,6]-4:C-4:	C-4:	C(C[5,5,3x6]C[5,5,6,6]3)(F)3	C[5,5,3x6](C[5,5,6,6]C[5,6]O[5,5]C[6])2(C[5,5,6,6]C[5,5,6]2C)(CF3)	F(CC[5,5,3x6]FF)	C(C[5,5,3x6]C[5,5,6,6]3)(F)3	C[5,5,3x6](C[5,5,6,6]C[5,6]O[5,5]C[6])2(C[5,5,6,6]C[5,5,6]2C)(CF3){1|N<3>,2|C<3>,8|H<1>}	F(CC[5,5,3x6]FF)	112.9387	1.740	12	112.9387	3.028	12	112.9387	3.028	12	112.9387	3.028	12	112.9387	3.028	12	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,5,6,6]	F	4:1:1:1:	4:4:4:4:	4:	C[5,5,6,6]-4:F-1:F-1:F-1:	C[5,5,3x6]-4:C[5,5,6]-4:C[5,5,6]-4:C-4:	C-4:	C(C[5,5,6,6]C[5,5,3x6]C[5,5,6]2)(F)3	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2C)(C[5,5,6]C[5,6]O[5,5]H)2(CF3)	F(CC[5,5,6,6]FF)	C(C[5,5,6,6]C[5,5,3x6]C[5,5,6]2)(F)3	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2C)(C[5,5,6]C[5,6]O[5,5]H)2(CF3){2|C<3>,2|C<4>,2|H<1>}	F(CC[5,5,6,6]FF)	112.6516	2.818	12	112.6516	7.939	12	112.6516	7.939	12	112.6516	7.939	12	112.6516	7.939	12	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,5,6]	F	4:1:1:1:	4:2:2:4:	4:	C[5,5,6]-4:F-1:F-1:F-1:	C[5,5,6]-4:O[5,6]-2:O[5,6]-2:C-4:	C-4:	C(C[5,5,6]C[5,5,6]O[5,6]2)(F)3	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]C[6a])(O[5,6]C[5,5,6,6])(O[5,6]C[5,6,6])(CF3)	F(CC[5,5,6]FF)	C(C[5,5,6]C[5,5,6]O[5,6]2)(F)3	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]C[6a])(O[5,6]C[5,5,6,6])(O[5,6]C[5,6,6])(CF3){1|C<4>,3|H<1>,5|C<3>}	F(CC[5,5,6]FF)	111.1377	2.182	3	111.1377	4.763	3	111.1377	4.763	3	111.1377	4.763	3	111.8771	3.148	21	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,5,6]	F	4:1:1:1:	4:4:2:4:	4:	C[5,5,6]-4:F-1:F-1:F-1:	C[5,5,6,6]-4:C[5,5,6,6]-4:O[5,5]-2:C-4:	C-4:	C(C[5,5,6]C[5,5,6,6]2O[5,5])(F)3	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)2(O[5,5]C[5,5,6])(CF3)	F(CC[5,5,6]FF)	C(C[5,5,6]C[5,5,6,6]2O[5,5])(F)3	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)2(O[5,5]C[5,5,6])(CF3){4|H<1>,7|C<4>}	F(CC[5,5,6]FF)	111.9496	1.878	15	111.9496	3.526	15	111.9496	3.526	15	111.9496	3.526	15	111.8771	3.148	21	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,5,6]	F	4:1:1:1:	4:4:3:4:	4:	C[5,5,6]-4:F-1:F-1:F-1:	C[3x5,6]-4:C[5,6]-4:C[5]-3:C-4:	C-4:	C(C[5,5,6]C[3x5,6]C[5,6]C[5])(F)3	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]O[5]O)(CF3)	F(CC[5,5,6]FF)	C(C[5,5,6]C[3x5,6]C[5,6]C[5])(F)3	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]O[5]O)(CF3){1|C<4>,4|H<1>}	F(CC[5,5,6]FF)	112.2540	0.981	3	112.2540	0.963	3	112.2540	0.963	3	112.2540	0.963	3	111.8771	3.148	21	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,5]	F	4:1:1:1:	3:3:2:4:	4:	C[5,5]-4:F-1:F-1:F-1:	C[5,6a]-3:N[5,5]-3:O[5]-2:C-4:	C-4:	C(C[5,5]C[5,6a]N[5,5]O[5])(F)3	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6]S[5])(O[5]C[5,6])(CF3)	F(CC[5,5]FF)	C(C[5,5]C[5,6a]N[5,5]O[5])(F)3	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6]S[5])(O[5]C[5,6])(CF3){2|C<4>,2|H<1>,2|O<1>,3|C<3>}	F(CC[5,5]FF)	111.6073	1.052	3	111.6073	1.107	3	111.5562	0.735	6	111.5562	0.735	6	111.1922	1.164	23	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,5]	F	4:1:1:1:	3:3:2:4:	4:	C[5,5]-4:F-1:F-1:F-1:	C[5,6a]-3:N[5,5]-3:O[5]-2:C-4:	C-4:	C(C[5,5]C[5,6a]N[5,5]O[5])(F)3	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(O[5]C[5])(CF3)	F(CC[5,5]FF)	C(C[5,5]C[5,6a]N[5,5]O[5])(F)3	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(O[5]C[5])(CF3){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	F(CC[5,5]FF)	111.5050	0.851	3	111.5050	0.723	3	111.5562	0.735	6	111.5562	0.735	6	111.1922	1.164	23	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,5]	F	4:1:1:1:	3:4:2:4:	4:	C[5,5]-4:F-1:F-1:F-1:	N[5,5]-3:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5,5]N[5,5]C[5]O[5])(F)3	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(O[5]C[5])(CF3)	F(CC[5,5]FF)	C(C[5,5]N[5,5]C[5]O[5])(F)3	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(O[5]C[5])(CF3){1|C<3>,1|O<1>,2|O<2>,3|H<1>}	F(CC[5,5]FF)	111.4230	0.905	6	111.4230	0.819	6	111.4449	0.437	12	111.4449	0.437	12	111.1922	1.164	23	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,5]	F	4:1:1:1:	3:4:2:4:	4:	C[5,5]-4:F-1:F-1:F-1:	N[5,5]-3:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5,5]N[5,5]C[5]O[5])(F)3	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5])(CF3)	F(CC[5,5]FF)	C(C[5,5]N[5,5]C[5]O[5])(F)3	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5])(CF3){1|C<3>,1|O<1>,2|O<2>,3|H<1>}	F(CC[5,5]FF)	111.4668	0.377	6	111.4668	0.142	6	111.4449	0.437	12	111.4449	0.437	12	111.1922	1.164	23	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,5]	F	4:1:1:1:	4:2:2:4:	4:	C[5,5]-4:F-1:F-1:F-1:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	C-4:	C(C[5,5]C[5,5]O[5]2)(F)3	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(O[5]C[5])(CF3)	F(CC[5,5]FF)	C(C[5,5]C[5,5]O[5]2)(F)3	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(O[5]C[5])(CF3){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	F(CC[5,5]FF)	111.2457	0.678	3	111.2457	0.459	3	111.2457	0.459	3	111.2457	0.459	3	111.1922	1.164	23	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,5]	F	4:4:1:1:	4:2:2:4:	4:	C[5,5]-4:C-4:F-1:F-1:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	C-4:	C(C[5,5]C[5,5]O[5]2)(CF3)(F)2	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(CCFF)	F(CC[5,5]CF)	C(C[5,5]C[5,5]O[5]2)(CF3)(F)2	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(CCFF){1|H<1>,2|O<2>,3|C<4>}	F(CC[5,5]CF)	108.5035	0.425	2	108.5035	0.181	2	108.5035	0.181	2	108.5035	0.181	2	111.1922	1.164	23	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,6,6]	F	4:1:1:1:	3:3:3:4:	4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C-4:	C(C[5,6,6]C[5,6,6]3)(F)3	C[5,6,6](C[5,6,6]C[5,6,6]2)3(CF3)	F(CC[5,6,6]FF)	C(C[5,6,6]C[5,6,6]3)(F)3	C[5,6,6](C[5,6,6]C[5,6,6]2)3(CF3){5|C<3>,6|C<4>}	F(CC[5,6,6]FF)	111.7093	0.543	3	111.7093	0.295	3	111.3823	0.720	9	111.5074	0.849	414	111.3926	1.100	436	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,6,6]	F	4:1:1:1:	3:3:3:4:	4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C-4:	C(C[5,6,6]C[5,6,6]3)(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2(CF3)	F(CC[5,6,6]FF)	C(C[5,6,6]C[5,6,6]3)(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2(CF3){4|C<3>,6|C<4>}	F(CC[5,6,6]FF)	111.1870	1.378	3	111.2188	0.937	6	111.3823	0.720	9	111.5074	0.849	414	111.3926	1.100	436	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,6,6]	F	4:1:1:1:	3:3:3:4:	4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C-4:	C(C[5,6,6]C[5,6,6]3)(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2(CF3)	F(CC[5,6,6]FF)	C(C[5,6,6]C[5,6,6]3)(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2(CF3){5|C<3>,5|C<4>}	F(CC[5,6,6]FF)	111.2507	0.665	3	111.2188	0.937	6	111.3823	0.720	9	111.5074	0.849	414	111.3926	1.100	436	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,6,6]	F	4:1:1:1:	3:3:3:4:	4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)3	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	F(CC[5,6,6]FF)	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)3	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,6|C<3>}	F(CC[5,6,6]FF)	111.5247	0.978	3	111.5247	0.957	3	111.3728	0.505	44	111.5074	0.849	414	111.3926	1.100	436	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,6,6]	F	4:1:1:1:	3:3:3:4:	4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	F(CC[5,6,6]FF)	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,6|C<3>}	F(CC[5,6,6]FF)	111.6579	0.485	8	111.3617	0.493	41	111.3728	0.505	44	111.5074	0.849	414	111.3926	1.100	436	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,6,6]	F	4:1:1:1:	3:3:3:4:	4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	F(CC[5,6,6]FF)	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,5|C<3>}	F(CC[5,6,6]FF)	111.2898	0.733	33	111.3617	0.493	41	111.3728	0.505	44	111.5074	0.849	414	111.3926	1.100	436	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,6,6]	F	4:1:1:1:	3:3:3:4:	4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6a]-3:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)2(CF3)	F(CC[5,6,6]FF)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)2(CF3){1|C<4>,7|C<3>}	F(CC[5,6,6]FF)	111.5683	1.457	3	111.4032	0.820	9	111.4032	0.820	9	111.5074	0.849	414	111.3926	1.100	436	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,6,6]	F	4:1:1:1:	3:3:3:4:	4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6a]-3:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)2(CF3)	F(CC[5,6,6]FF)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)2(CF3){2|C<4>,6|C<3>}	F(CC[5,6,6]FF)	111.3207	0.662	6	111.4032	0.820	9	111.4032	0.820	9	111.5074	0.849	414	111.3926	1.100	436	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,6,6]	F	4:1:1:1:	3:3:3:4:	4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[3x6]-3:C[5,6,6]-3:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]C[5,6,6]C[3x6])(F)3	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[3x6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6]2)(CF3)	F(CC[5,6,6]FF)	C(C[5,6,6]C[5,6,6a]C[5,6,6]C[3x6])(F)3	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[3x6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6]2)(CF3){4|C<3>,5|C<4>}	F(CC[5,6,6]FF)	111.3597	0.618	3	111.3597	0.383	3	111.6850	0.571	6	111.5074	0.849	414	111.3926	1.100	436	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,6,6]	F	4:1:1:1:	3:3:3:4:	4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[3x6]-3:C[5,6,6]-3:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]C[5,6,6]C[3x6])(F)3	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[3x6]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)(CF3)	F(CC[5,6,6]FF)	C(C[5,6,6]C[5,6,6a]C[5,6,6]C[3x6])(F)3	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[3x6]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,6|C<3>}	F(CC[5,6,6]FF)	112.0103	0.852	3	112.0103	0.727	3	111.6850	0.571	6	111.5074	0.849	414	111.3926	1.100	436	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,6,6]	F	4:1:1:1:	3:3:3:4:	4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)3	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3)	F(CC[5,6,6]FF)	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)3	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3){3|C<4>,6|C<3>}	F(CC[5,6,6]FF)	111.6068	0.581	12	111.5143	0.785	24	111.5456	0.747	36	111.5074	0.849	414	111.3926	1.100	436	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,6,6]	F	4:1:1:1:	3:3:3:4:	4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)3	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3)	F(CC[5,6,6]FF)	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)3	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3){4|C<4>,5|C<3>}	F(CC[5,6,6]FF)	111.5683	0.924	3	111.5143	0.785	24	111.5456	0.747	36	111.5074	0.849	414	111.3926	1.100	436	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,6,6]	F	4:1:1:1:	3:3:3:4:	4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)3	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3)	F(CC[5,6,6]FF)	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)3	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3){4|C<4>,6|C<3>}	F(CC[5,6,6]FF)	111.5183	1.280	6	111.5143	0.785	24	111.5456	0.747	36	111.5074	0.849	414	111.3926	1.100	436	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,6,6]	F	4:1:1:1:	3:3:3:4:	4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)3	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3)	F(CC[5,6,6]FF)	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)3	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3){5|C<3>,5|C<4>}	F(CC[5,6,6]FF)	111.0823	1.376	3	111.5143	0.785	24	111.5456	0.747	36	111.5074	0.849	414	111.3926	1.100	436	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,6,6]	F	4:1:1:1:	3:3:3:4:	4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)3	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)(CF3)	F(CC[5,6,6]FF)	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)3	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,7|C<3>}	F(CC[5,6,6]FF)	111.6082	0.853	12	111.6082	0.728	12	111.5456	0.747	36	111.5074	0.849	414	111.3926	1.100	436	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,6,6]	F	4:1:1:1:	3:3:3:4:	4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[3x6]-3:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]2C[3x6])(F)3	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[3x6]C[6,6,6a]C[5,6,6])(CF3)	F(CC[5,6,6]FF)	C(C[5,6,6]C[5,6,6a]2C[3x6])(F)3	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[3x6]C[6,6,6a]C[5,6,6])(CF3){1|C<4>,7|C<3>}	F(CC[5,6,6]FF)	111.8083	2.324	3	111.8083	5.400	3	111.8083	5.400	3	111.5074	0.849	414	111.3926	1.100	436	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,6,6]	F	4:1:1:1:	3:3:3:4:	4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6](C[5,6,6a]C[5,6,6a]2)2(C[5,6,6]C[5,6,6]2)(CF3)	F(CC[5,6,6]FF)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6](C[5,6,6a]C[5,6,6a]2)2(C[5,6,6]C[5,6,6]2)(CF3){1|C<4>,7|C<3>}	F(CC[5,6,6]FF)	111.4280	0.954	3	111.5021	0.896	11	111.4329	0.777	136	111.5074	0.849	414	111.3926	1.100	436	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,6,6]	F	4:1:1:1:	3:3:3:4:	4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6](C[5,6,6a]C[5,6,6a]2)2(C[5,6,6]C[5,6,6]2)(CF3)	F(CC[5,6,6]FF)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6](C[5,6,6a]C[5,6,6a]2)2(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,6|C<3>}	F(CC[5,6,6]FF)	111.5407	1.533	3	111.5021	0.896	11	111.4329	0.777	136	111.5074	0.849	414	111.3926	1.100	436	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,6,6]	F	4:1:1:1:	3:3:3:4:	4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6](C[5,6,6a]C[5,6,6a]2)2(C[5,6,6]C[5,6,6]2)(CF3)	F(CC[5,6,6]FF)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6](C[5,6,6a]C[5,6,6a]2)2(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,7|C<3>}	F(CC[5,6,6]FF)	111.5234	0.778	5	111.5021	0.896	11	111.4329	0.777	136	111.5074	0.849	414	111.3926	1.100	436	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,6,6]	F	4:1:1:1:	3:3:3:4:	4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	F(CC[5,6,6]FF)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,7|C<3>}	F(CC[5,6,6]FF)	111.8327	0.789	3	111.8327	0.623	3	111.4329	0.777	136	111.5074	0.849	414	111.3926	1.100	436	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,6,6]	F	4:1:1:1:	3:3:3:4:	4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3)	F(CC[5,6,6]FF)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,6|C<3>}	F(CC[5,6,6]FF)	111.4612	0.695	9	111.4612	0.483	9	111.4329	0.777	136	111.5074	0.849	414	111.3926	1.100	436	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,6,6]	F	4:1:1:1:	3:3:3:4:	4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3)	F(CC[5,6,6]FF)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3){1|C<4>,7|C<3>}	F(CC[5,6,6]FF)	111.5210	0.917	8	111.4011	0.907	80	111.4329	0.777	136	111.5074	0.849	414	111.3926	1.100	436	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,6,6]	F	4:1:1:1:	3:3:3:4:	4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3)	F(CC[5,6,6]FF)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,6|C<3>}	F(CC[5,6,6]FF)	111.4510	0.907	30	111.4011	0.907	80	111.4329	0.777	136	111.5074	0.849	414	111.3926	1.100	436	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,6,6]	F	4:1:1:1:	3:3:3:4:	4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3)	F(CC[5,6,6]FF)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,7|C<3>}	F(CC[5,6,6]FF)	111.3475	1.038	33	111.4011	0.907	80	111.4329	0.777	136	111.5074	0.849	414	111.3926	1.100	436	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,6,6]	F	4:1:1:1:	3:3:3:4:	4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3)	F(CC[5,6,6]FF)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,5|C<3>}	F(CC[5,6,6]FF)	111.2222	0.750	6	111.4011	0.907	80	111.4329	0.777	136	111.5074	0.849	414	111.3926	1.100	436	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,6,6]	F	4:1:1:1:	3:3:3:4:	4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3)	F(CC[5,6,6]FF)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,6|C<3>}	F(CC[5,6,6]FF)	111.5283	1.428	3	111.4011	0.907	80	111.4329	0.777	136	111.5074	0.849	414	111.3926	1.100	436	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,6,6]	F	4:1:1:1:	3:3:3:4:	4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3)	F(CC[5,6,6]FF)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3){1|C<4>,7|C<3>}	F(CC[5,6,6]FF)	111.5897	0.869	3	111.4149	0.572	27	111.4329	0.777	136	111.5074	0.849	414	111.3926	1.100	436	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,6,6]	F	4:1:1:1:	3:3:3:4:	4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3)	F(CC[5,6,6]FF)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3){2|C<4>,6|C<3>}	F(CC[5,6,6]FF)	111.3931	0.759	24	111.4149	0.572	27	111.4329	0.777	136	111.5074	0.849	414	111.3926	1.100	436	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,6,6]	F	4:1:1:1:	3:3:3:4:	4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3)	F(CC[5,6,6]FF)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3){1|C<4>,7|C<3>}	F(CC[5,6,6]FF)	111.5090	0.978	3	111.5090	0.956	3	111.4329	0.777	136	111.5074	0.849	414	111.3926	1.100	436	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,6,6]	F	4:1:1:1:	3:3:3:4:	4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	F(CC[5,6,6]FF)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,7|C<3>}	F(CC[5,6,6]FF)	111.6310	0.881	3	111.6310	0.777	3	111.4329	0.777	136	111.5074	0.849	414	111.3926	1.100	436	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,6,6]	F	4:1:1:1:	3:3:3:4:	4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3)	F(CC[5,6,6]FF)	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3){2|C<4>,6|C<3>}	F(CC[5,6,6]FF)	111.6944	0.997	57	111.6944	0.993	57	111.5913	1.085	104	111.5074	0.849	414	111.3926	1.100	436	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,6,6]	F	4:1:1:1:	3:3:3:4:	4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6a])(CF3)	F(CC[5,6,6]FF)	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6a])(CF3){1|C<4>,7|C<3>}	F(CC[5,6,6]FF)	111.9300	1.470	3	111.9300	2.162	3	111.5913	1.085	104	111.5074	0.849	414	111.3926	1.100	436	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,6,6]	F	4:1:1:1:	3:3:3:4:	4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(CF3)	F(CC[5,6,6]FF)	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(CF3){1|C<4>,7|C<3>}	F(CC[5,6,6]FF)	111.3067	1.027	12	111.3067	1.055	12	111.5913	1.085	104	111.5074	0.849	414	111.3926	1.100	436	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,6,6]	F	4:1:1:1:	3:3:3:4:	4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6,6a]2)(CF3)	F(CC[5,6,6]FF)	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6,6a]2)(CF3){2|C<4>,6|C<3>}	F(CC[5,6,6]FF)	111.5372	0.834	23	111.5372	0.696	23	111.5913	1.085	104	111.5074	0.849	414	111.3926	1.100	436	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,6,6]	F	4:1:1:1:	3:3:3:4:	4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(CF3)	F(CC[5,6,6]FF)	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(CF3){1|C<4>,7|C<3>}	F(CC[5,6,6]FF)	111.3697	1.082	3	111.3697	1.172	3	111.5913	1.085	104	111.5074	0.849	414	111.3926	1.100	436	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,6,6]	F	4:1:1:1:	3:3:3:4:	4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3)	F(CC[5,6,6]FF)	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3){1|C<4>,7|C<3>}	F(CC[5,6,6]FF)	111.4370	0.960	3	111.4370	0.922	3	111.5913	1.085	104	111.5074	0.849	414	111.3926	1.100	436	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,6,6]	F	4:1:1:1:	3:3:3:4:	4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(CF3)	F(CC[5,6,6]FF)	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(CF3){1|C<4>,7|C<3>}	F(CC[5,6,6]FF)	111.2233	3.009	3	111.2233	9.055	3	111.5913	1.085	104	111.5074	0.849	414	111.3926	1.100	436	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,6,6]	F	4:1:1:1:	3:3:3:4:	4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[6,6,6a]C[6,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	F(CC[5,6,6]FF)	C(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[6,6,6a]C[6,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,5|C<3>}	F(CC[5,6,6]FF)	111.5880	0.853	3	111.5880	0.728	3	111.5851	0.747	26	111.5074	0.849	414	111.3926	1.100	436	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,6,6]	F	4:1:1:1:	3:3:3:4:	4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3)	F(CC[5,6,6]FF)	C(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,5|C<3>}	F(CC[5,6,6]FF)	111.7529	0.799	9	111.7529	0.639	9	111.5851	0.747	26	111.5074	0.849	414	111.3926	1.100	436	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,6,6]	F	4:1:1:1:	3:3:3:4:	4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[6,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	F(CC[5,6,6]FF)	C(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[6,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,6|C<3>}	F(CC[5,6,6]FF)	111.0783	0.974	3	111.0783	0.948	3	111.5851	0.747	26	111.5074	0.849	414	111.3926	1.100	436	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,6,6]	F	4:1:1:1:	3:3:3:4:	4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3)	F(CC[5,6,6]FF)	C(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3){2|C<4>,6|C<3>}	F(CC[5,6,6]FF)	111.7082	1.145	6	111.7082	1.312	6	111.5851	0.747	26	111.5074	0.849	414	111.3926	1.100	436	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,6,6]	F	4:1:1:1:	3:3:3:4:	4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3)	F(CC[5,6,6]FF)	C(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3){1|C<4>,7|C<3>}	F(CC[5,6,6]FF)	111.6415	0.391	2	111.6415	0.153	2	111.5851	0.747	26	111.5074	0.849	414	111.3926	1.100	436	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,6,6]	F	4:1:1:1:	3:3:3:4:	4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3)	F(CC[5,6,6]FF)	C(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,6|C<3>}	F(CC[5,6,6]FF)	111.3017	1.036	3	111.3017	1.073	3	111.5851	0.747	26	111.5074	0.849	414	111.3926	1.100	436	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,6,6]	F	4:1:1:1:	3:3:3:4:	4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6a]-3:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(CF3)	F(CC[5,6,6]FF)	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(CF3){2|C<4>,6|C<3>}	F(CC[5,6,6]FF)	111.8367	0.862	15	111.8367	0.743	15	111.5845	0.993	21	111.5074	0.849	414	111.3926	1.100	436	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,6,6]	F	4:1:1:1:	3:3:3:4:	4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6a]-3:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(CF3)	F(CC[5,6,6]FF)	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(F)3	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(CF3){1|C<4>,7|C<3>}	F(CC[5,6,6]FF)	110.9540	1.106	6	110.9540	1.223	6	111.5845	0.993	21	111.5074	0.849	414	111.3926	1.100	436	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,6,6]	F	4:1:1:1:	3:3:3:4:	4:	C[5,6,6]-4:F-1:F-1:F-1:	C[6,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C-4:	C(C[5,6,6]C[6,6,6a]C[5,6,6]2)(F)3	C[5,6,6](C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6]2)(CF3)	F(CC[5,6,6]FF)	C(C[5,6,6]C[6,6,6a]C[5,6,6]2)(F)3	C[5,6,6](C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6]2)(CF3){4|C<3>,4|C<4>}	F(CC[5,6,6]FF)	112.0040	0.993	5	112.0040	0.985	5	111.7184	0.805	8	111.5074	0.849	414	111.3926	1.100	436	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,6,6]	F	4:1:1:1:	3:3:3:4:	4:	C[5,6,6]-4:F-1:F-1:F-1:	C[6,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C-4:	C(C[5,6,6]C[6,6,6a]C[5,6,6]2)(F)3	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6]2)(CF3)	F(CC[5,6,6]FF)	C(C[5,6,6]C[6,6,6a]C[5,6,6]2)(F)3	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,5|C<3>}	F(CC[5,6,6]FF)	111.2423	0.549	3	111.2423	0.301	3	111.7184	0.805	8	111.5074	0.849	414	111.3926	1.100	436	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,6,6]	F	4:1:1:1:	3:3:3:4:	4:	C[5,6,6]-4:F-1:F-1:F-1:	C[6,6,6a]-3:C[5,6,6]-3:C[5,6,6a]-3:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[5,6,6](C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6a]C[5,6,6a]2)(CF3)	F(CC[5,6,6]FF)	C(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[5,6,6](C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6a]C[5,6,6a]2)(CF3){3|C<4>,6|C<3>}	F(CC[5,6,6]FF)	111.8380	1.150	3	111.8380	1.323	3	111.8380	1.323	3	111.5074	0.849	414	111.3926	1.100	436	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,6,6]	F	4:1:1:1:	3:3:3:4:	4:	C[5,6,6]-4:F-1:F-1:F-1:	C[6,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3)	F(CC[5,6,6]FF)	C(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,6|C<3>}	F(CC[5,6,6]FF)	111.7977	0.901	3	111.7977	0.811	3	111.4750	1.162	9	111.5074	0.849	414	111.3926	1.100	436	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,6,6]	F	4:1:1:1:	3:3:3:4:	4:	C[5,6,6]-4:F-1:F-1:F-1:	C[6,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	F(CC[5,6,6]FF)	C(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,6|C<3>}	F(CC[5,6,6]FF)	111.3137	1.201	6	111.3137	1.441	6	111.4750	1.162	9	111.5074	0.849	414	111.3926	1.100	436	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,6,6]	F	4:4:1:1:	3:3:3:4:	4:	C[5,6,6]-4:C-4:F-1:F-1:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(CF3)(F)2	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CCFF)	F(CC[5,6,6]CF)	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(CF3)(F)2	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CCFF){3|C<4>,6|C<3>}	F(CC[5,6,6]CF)	109.5695	1.710	2	109.5695	2.926	2	109.5695	2.926	2	109.5939	0.791	16	111.3926	1.100	436	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,6,6]	F	4:4:1:1:	3:3:3:4:	4:	C[5,6,6]-4:C-4:F-1:F-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(CF3)(F)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CCFF)	F(CC[5,6,6]CF)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(CF3)(F)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CCFF){1|C<4>,7|C<3>}	F(CC[5,6,6]CF)	109.9405	1.364	2	109.9405	1.861	2	109.6170	0.672	10	109.5939	0.791	16	111.3926	1.100	436	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,6,6]	F	4:4:1:1:	3:3:3:4:	4:	C[5,6,6]-4:C-4:F-1:F-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(CF3)(F)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CCFF)	F(CC[5,6,6]CF)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(CF3)(F)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CCFF){2|C<4>,7|C<3>}	F(CC[5,6,6]CF)	109.8715	0.425	2	109.8715	0.181	2	109.6170	0.672	10	109.5939	0.791	16	111.3926	1.100	436	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,6,6]	F	4:4:1:1:	3:3:3:4:	4:	C[5,6,6]-4:C-4:F-1:F-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(CF3)(F)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CCFF)	F(CC[5,6,6]CF)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(CF3)(F)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CCFF){2|C<4>,6|C<3>}	F(CC[5,6,6]CF)	109.6895	1.406	2	109.6895	1.978	2	109.6170	0.672	10	109.5939	0.791	16	111.3926	1.100	436	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,6,6]	F	4:4:1:1:	3:3:3:4:	4:	C[5,6,6]-4:C-4:F-1:F-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(CF3)(F)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)(CCFF)	F(CC[5,6,6]CF)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(CF3)(F)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)(CCFF){2|C<4>,7|C<3>}	F(CC[5,6,6]CF)	109.8255	0.011	2	109.8255	0.000	2	109.6170	0.672	10	109.5939	0.791	16	111.3926	1.100	436	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,6,6]	F	4:4:1:1:	3:3:3:4:	4:	C[5,6,6]-4:C-4:F-1:F-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(CF3)(F)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CCFF)	F(CC[5,6,6]CF)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(CF3)(F)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CCFF){2|C<4>,6|C<3>}	F(CC[5,6,6]CF)	108.7580	0.348	2	108.7580	0.121	2	109.6170	0.672	10	109.5939	0.791	16	111.3926	1.100	436	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,6,6]	F	4:4:1:1:	3:3:3:4:	4:	C[5,6,6]-4:C-4:F-1:F-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5a,6,6]-3:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]2C[5a,6,6])(CF3)(F)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5a,6,6]C[5a,6,6a]C[5a,6,6])(CCFF)	F(CC[5,6,6]CF)	C(C[5,6,6]C[5,6,6a]2C[5a,6,6])(CF3)(F)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5a,6,6]C[5a,6,6a]C[5a,6,6])(CCFF){1|C<4>,7|C<3>}	F(CC[5,6,6]CF)	109.1705	1.510	2	109.1705	2.279	2	109.1705	2.279	2	109.5939	0.791	16	111.3926	1.100	436	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,6,6]	F	4:4:1:1:	3:3:3:4:	4:	C[5,6,6]-4:C-4:F-1:F-1:	C[5a,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]C[5a,6,6]C[5,6,6])(CF3)(F)2	C[5,6,6](C[5a,6,6]C[5a,6,6a]C[5a,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CCFF)	F(CC[5,6,6]CF)	C(C[5,6,6]C[5,6,6a]C[5a,6,6]C[5,6,6])(CF3)(F)2	C[5,6,6](C[5a,6,6]C[5a,6,6a]C[5a,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CCFF){3|C<4>,6|C<3>}	F(CC[5,6,6]CF)	109.9265	0.139	2	109.9265	0.019	2	109.9265	0.019	2	109.5939	0.791	16	111.3926	1.100	436	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,6,6]	F	4:4:4:1:	3:3:3:4:	4:	C[5,6,6]-4:C-4:C-4:F-1:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6a]-3:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(CF3)2(F)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)2(CCCF)	F(CC[5,6,6]CC)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(CF3)2(F)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)2(CCCF){1|C<4>,7|C<3>}	F(CC[5,6,6]CC)	108.1277	0.232	3	108.1277	0.054	3	108.1277	0.054	3	108.2673	0.091	6	111.3926	1.100	436	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,6,6]	F	4:4:4:1:	3:3:3:4:	4:	C[5,6,6]-4:C-4:C-4:F-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(CF3)2(F)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CCCF)	F(CC[5,6,6]CC)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(CF3)2(F)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CCCF){1|C<4>,7|C<3>}	F(CC[5,6,6]CC)	108.3145	0.424	2	108.3145	0.179	2	108.4070	0.115	3	108.2673	0.091	6	111.3926	1.100	436	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,6,6]	F	4:4:4:1:	3:3:3:4:	4:	C[5,6,6]-4:C-4:C-4:F-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(CF3)2(F)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CCCF)	F(CC[5,6,6]CC)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(CF3)2(F)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CCCF){1|C<4>,7|C<3>}	F(CC[5,6,6]CC)	108.5920	0.000	1	108.5920	0.000	1	108.4070	0.115	3	108.2673	0.091	6	111.3926	1.100	436	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,6]	F	4:1:1:1:	3:3:3:4:	4:	C[5,6]-4:F-1:F-1:F-1:	C[6,6a]-3:N[5,6]-3:C[5]-3:C-4:	C-4:	C(C[5,6]C[6,6a]N[5,6]C[5])(F)3	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]C)(CF3)	F(CC[5,6]FF)	C(C[5,6]C[6,6a]N[5,6]C[5])(F)3	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]C)(CF3){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	F(CC[5,6]FF)	112.4483	0.447	6	112.4483	0.200	6	112.4483	0.200	6	112.4483	0.200	6	112.0897	1.602	70	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,6]	F	4:1:1:1:	3:3:4:4:	4:	C[5,6]-4:F-1:F-1:F-1:	C[5,6a]-3:N[5,6]-3:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6a]N[5,6]C[6])(F)3	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]HH)(CF3)	F(CC[5,6]FF)	C(C[5,6]C[5,6a]N[5,6]C[6])(F)3	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]HH)(CF3){1|C<4>,2|H<1>,3|C<3>,3|O<1>}	F(CC[5,6]FF)	112.0893	1.348	3	112.0893	1.817	3	112.0893	1.817	3	112.0893	1.817	3	112.0897	1.602	70	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,6]	F	4:1:1:1:	3:4:2:4:	4:	C[5,6]-4:F-1:F-1:F-1:	N[5,6]-3:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]N[5,6]C[6]O[5])(F)3	C[5,6](N[5,6]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(CF3)	F(CC[5,6]FF)	C(C[5,6]N[5,6]C[6]O[5])(F)3	C[5,6](N[5,6]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(CF3){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	F(CC[5,6]FF)	111.4757	1.836	3	111.4757	3.369	3	111.4757	3.369	3	111.4757	3.369	3	112.0897	1.602	70	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,6]	F	4:1:1:1:	3:4:3:4:	4:	C[5,6]-4:F-1:F-1:F-1:	C[6,6a]-3:C[5,5]-4:N[5,6]-3:C-4:	C-4:	C(C[5,6]C[6,6a]C[5,5]N[5,6])(F)3	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]O[5]H)(N[5,6]C[5]C[6])(CF3)	F(CC[5,6]FF)	C(C[5,6]C[6,6a]C[5,5]N[5,6])(F)3	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]O[5]H)(N[5,6]C[5]C[6])(CF3){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	F(CC[5,6]FF)	111.7367	0.967	9	111.7367	0.935	9	111.7367	0.935	9	111.8156	1.351	18	112.0897	1.602	70	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,6]	F	4:1:1:1:	3:4:3:4:	4:	C[5,6]-4:F-1:F-1:F-1:	C[6,6a]-3:C[5]-4:N[5,6]-3:C-4:	C-4:	C(C[5,6]C[6,6a]N[5,6]C[5])(F)3	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,6]C[5]S[6])(CF3)	F(CC[5,6]FF)	C(C[5,6]C[6,6a]N[5,6]C[5])(F)3	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,6]C[5]S[6])(CF3){1|O<2>,3|H<1>,3|O<1>,4|C<3>}	F(CC[5,6]FF)	111.5793	0.955	3	111.5793	0.911	3	111.8944	1.922	9	111.8156	1.351	18	112.0897	1.602	70	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,6]	F	4:1:1:1:	3:4:3:4:	4:	C[5,6]-4:F-1:F-1:F-1:	C[6,6a]-3:C[5]-4:N[5,6]-3:C-4:	C-4:	C(C[5,6]C[6,6a]N[5,6]C[5])(F)3	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]N[5]C)(N[5,6]C[5]C[6])(CF3)	F(CC[5,6]FF)	C(C[5,6]C[6,6a]N[5,6]C[5])(F)3	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]N[5]C)(N[5,6]C[5]C[6])(CF3){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	F(CC[5,6]FF)	112.0520	1.619	6	112.0520	2.622	6	111.8944	1.922	9	111.8156	1.351	18	112.0897	1.602	70	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,6]	F	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:F-1:F-1:F-1:	N[5,6]-3:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]N[5,6]C[5]C[6])(F)3	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CF3)	F(CC[5,6]FF)	C(C[5,6]N[5,6]C[5]C[6])(F)3	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CF3){1|O<1>,2|C<4>,5|H<1>}	F(CC[5,6]FF)	112.8847	0.439	3	112.8847	0.193	3	112.8847	0.193	3	112.8847	0.193	3	112.0897	1.602	70	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,6]	F	4:1:1:1:	4:2:4:4:	4:	C[5,6]-4:F-1:F-1:F-1:	C[5,5,6]-4:O[5,6]-2:C-4:C-4:	C-4:	C(C[5,6]C[5,5,6]O[5,6]C)(F)3	C[5,6](C[5,5,6]C[5,6]O[5,5]C[6a])(O[5,6]P[3x5,6])(CF3)2	F(CC[5,6]FF)	C(C[5,6]C[5,5,6]O[5,6]C)(F)3	C[5,6](C[5,5,6]C[5,6]O[5,5]C[6a])(O[5,6]P[3x5,6])(CF3)2{1|H<1>,3|C<3>,3|O<2>}	F(CC[5,6]FF)	111.8105	0.412	6	111.8105	0.170	6	111.8105	0.170	6	111.8105	0.170	6	112.0897	1.602	70	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,6]	F	4:1:1:1:	4:3:2:4:	4:	C[5,6]-4:F-1:F-1:F-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(F)3	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CF3)	F(CC[5,6]FF)	C(C[5,6]C[5,6]C[6]O[5])(F)3	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CF3){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	F(CC[5,6]FF)	111.3403	1.191	3	111.3403	1.417	3	111.3403	1.417	3	111.3403	1.417	3	112.0897	1.602	70	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,6]	F	4:1:1:1:	4:4:4:1:	4:	C[5,6]-4:F-1:F-1:F-1:	C[5,5,6]-4:C[5,6,6]-4:C-4:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6,6]H)(F)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]2)(CF3)(H)	F(CC[5,6]FF)	C(C[5,6]C[5,5,6]C[5,6,6]H)(F)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]2)(CF3)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	F(CC[5,6]FF)	112.9480	2.250	6	112.9480	5.064	6	112.9480	5.064	6	112.3096	3.628	16	112.0897	1.602	70	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,6]	F	4:1:1:1:	4:4:4:1:	4:	C[5,6]-4:F-1:F-1:F-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(F)3	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CF3)(H)	F(CC[5,6]FF)	C(C[5,6]C[5,5,6]C[5,6]H)(F)3	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CF3)(H){1|Br<1>,1|C<3>,1|H<1>}	F(CC[5,6]FF)	112.5738	1.078	6	112.5738	1.163	6	112.3582	1.052	9	112.3096	3.628	16	112.0897	1.602	70	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,6]	F	4:1:1:1:	4:4:4:1:	4:	C[5,6]-4:F-1:F-1:F-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(F)3	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HI)(CF3)(H)	F(CC[5,6]FF)	C(C[5,6]C[5,5,6]C[5,6]H)(F)3	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HI)(CF3)(H){1|C<3>,1|C<4>,2|H<1>}	F(CC[5,6]FF)	111.9270	0.940	3	111.9270	0.884	3	112.3582	1.052	9	112.3096	3.628	16	112.0897	1.602	70	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,6]	F	4:1:1:1:	4:4:4:1:	4:	C[5,6]-4:F-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C-4:	C(C[5,6]C[5,6]2H)(F)(H)2	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H)(CFHH)(H)	F(CC[5,6]HH)	C(C[5,6]C[5,6]2H)(F)(H)2	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H)(CFHH)(H){3|C<3>,3|H<1>}	F(CC[5,6]HH)	108.0410	0.000	1	108.0410	0.000	1	108.0410	0.000	1	112.3096	3.628	16	112.0897	1.602	70	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5,6]	F	4:1:1:1:	5:2:4:4:	4:	C[5,6]-4:F-1:F-1:F-1:	P[3x5,6]-5:O[5,6]-2:C-4:C-4:	C-4:	C(C[5,6]P[3x5,6]O[5,6]C)(F)3	C[5,6](P[3x5,6]O[5,5]O[5,6]O[5]2)(O[5,6]C[5,5,6])(CF3)2	F(CC[5,6]FF)	C(C[5,6]P[3x5,6]O[5,6]C)(F)3	C[5,6](P[3x5,6]O[5,5]O[5,6]O[5]2)(O[5,6]C[5,5,6])(CF3)2{1|C<3>,3|C<4>}	F(CC[5,6]FF)	112.3102	0.907	12	112.3102	0.823	12	112.3102	0.823	12	112.3102	0.823	12	112.0897	1.602	70	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	2:2:4:4:	4:	C[5]-4:F-1:F-1:F-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(F)3	C[5](O[5]C[5,6])2(CF3)2	F(CC[5]FF)	C(C[5]O[5]2C)(F)3	C[5](O[5]C[5,6])2(CF3)2{2|C<4>,2|H<1>}	F(CC[5]FF)	110.8347	1.095	12	110.8347	1.198	12	110.8347	1.198	12	110.6355	1.301	14	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	2:2:4:4:	4:	C[5]-4:F-1:F-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(F)2(H)	C[5](O[5]C[5])2(CCHO)(CFFH)	F(CC[5]FH)	C(C[5]O[5]2C)(F)2(H)	C[5](O[5]C[5])2(CCHO)(CFFH){1|H<1>,1|O<2>,2|C<4>}	F(CC[5]FH)	109.4405	0.629	2	109.4405	0.395	2	109.4405	0.395	2	110.6355	1.301	14	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	2:3:4:4:	4:	C[5]-4:F-1:F-1:F-1:	O[5]-2:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(F)3	C[5](O[5]Ge[5,6])(C[5]P[5]H)(CF3)2	F(CC[5]FF)	C(C[5]C[5]O[5]C)(F)3	C[5](O[5]Ge[5,6])(C[5]P[5]H)(CF3)2{1|C<4>,1|N<2>,1|O<2>}	F(CC[5]FF)	111.9585	1.418	6	111.9585	2.010	6	111.9585	2.010	6	111.9585	2.010	6	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	3:2:2:4:	4:	C[5]-4:F-1:F-1:F-1:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C-4:	C(C[5]C[6a]O[5]2)(F)3	C[5](C[6a]C[6a]2)(O[5]C[5,6])(O[5]O[5])(CF3)	F(CC[5]FF)	C(C[5]C[6a]O[5]2)(F)3	C[5](C[6a]C[6a]2)(O[5]C[5,6])(O[5]O[5])(CF3){2|C<3>,2|C<4>,2|H<1>}	F(CC[5]FF)	111.3407	1.454	3	111.3407	2.114	3	111.5201	0.510	15	111.2488	1.035	17	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	3:2:2:4:	4:	C[5]-4:F-1:F-1:F-1:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C-4:	C(C[5]C[6a]O[5]2)(F)3	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(CF3)	F(CC[5]FF)	C(C[5]C[6a]O[5]2)(F)3	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(CF3){2|C<4>,3|C<3>,3|H<1>}	F(CC[5]FF)	111.7303	0.681	3	111.7303	0.464	3	111.5201	0.510	15	111.2488	1.035	17	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	3:2:2:4:	4:	C[5]-4:F-1:F-1:F-1:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C-4:	C(C[5]C[6a]O[5]2)(F)3	C[5](C[6a]C[6a]2)(O[5]C[5])2(CF3)	F(CC[5]FF)	C(C[5]C[6a]O[5]2)(F)3	C[5](C[6a]C[6a]2)(O[5]C[5])2(CF3){1|C<4>,2|H<1>,4|C<3>}	F(CC[5]FF)	111.4443	0.452	6	111.5098	0.220	9	111.5201	0.510	15	111.2488	1.035	17	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	3:2:2:4:	4:	C[5]-4:F-1:F-1:F-1:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C-4:	C(C[5]C[6a]O[5]2)(F)3	C[5](C[6a]C[6a]2)(O[5]C[5])2(CF3)	F(CC[5]FF)	C(C[5]C[6a]O[5]2)(F)3	C[5](C[6a]C[6a]2)(O[5]C[5])2(CF3){2|C<4>,2|H<1>,3|C<3>}	F(CC[5]FF)	111.6407	0.574	3	111.5098	0.220	9	111.5201	0.510	15	111.2488	1.035	17	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	3:2:2:4:	4:	C[5]-4:F-1:H-1:H-1:	C[6a]-3:N[5]-2:O[5]-2:C-4:	C-4:	C(C[5]C[6a]N[5]O[5])(F)(H)2	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])(CFHH)	F(CC[5]HH)	C(C[5]C[6a]N[5]O[5])(F)(H)2	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])(CFHH){1|C<4>,2|C<3>,4|H<1>}	F(CC[5]HH)	109.3600	0.000	1	109.2145	0.042	2	109.2145	0.042	2	111.2488	1.035	17	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	3:2:2:4:	4:	C[5]-4:F-1:H-1:H-1:	C[6a]-3:N[5]-2:O[5]-2:C-4:	C-4:	C(C[5]C[6a]N[5]O[5])(F)(H)2	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])(CFHH)	F(CC[5]HH)	C(C[5]C[6a]N[5]O[5])(F)(H)2	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])(CFHH){1|O<1>,2|H<1>,3|C<3>}	F(CC[5]HH)	109.0690	0.000	1	109.2145	0.042	2	109.2145	0.042	2	111.2488	1.035	17	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	3:2:4:1:	4:	C[5]-4:F-1:F-1:F-1:	C[5,6a]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6a]O[5]H)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CF3)(H)	F(CC[5]FF)	C(C[5]C[5,6a]O[5]H)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CF3)(H){1|H<1>,1|N<2>,2|C<3>}	F(CC[5]FF)	111.8453	0.486	3	111.8453	0.236	3	111.8453	0.236	3	111.4474	0.883	9	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	3:2:4:1:	4:	C[5]-4:F-1:F-1:F-1:	N[5,5a]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]N[5,5a]O[5]H)(F)3	C[5](N[5,5a]C[5,5a]C[5a])(O[5]C[5])(CF3)(H)	F(CC[5]FF)	C(C[5]N[5,5a]O[5]H)(F)3	C[5](N[5,5a]C[5,5a]C[5a])(O[5]C[5])(CF3)(H){1|H<1>,1|O<1>,2|C<3>}	F(CC[5]FF)	110.9380	0.871	3	110.9380	0.759	3	110.9380	0.759	3	111.4474	0.883	9	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	3:2:4:1:	4:	C[5]-4:F-1:F-1:F-1:	N[5]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]N[5]O[5]H)(F)3	C[5](N[5]C[5]C)(O[5]C[5])(CF3)(H)	F(CC[5]FF)	C(C[5]N[5]O[5]H)(F)3	C[5](N[5]C[5]C)(O[5]C[5])(CF3)(H){1|C<3>,3|H<1>}	F(CC[5]FF)	111.5590	1.375	3	111.5590	1.891	3	111.5590	1.891	3	111.4474	0.883	9	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	3:2:4:2:	4:	C[5]-4:F-1:F-1:F-1:	C[5,6]-3:O[5]-2:C-4:O-2:	C-4:	C(C[5]C[5,6]O[5]O)(F)3	C[5](C[5,6]C[5,6]C[6])(O[5]N[5])(CF3)(OH)	F(CC[5]FF)	C(C[5]C[5,6]O[5]O)(F)3	C[5](C[5,6]C[5,6]C[6])(O[5]N[5])(CF3)(OH){1|H<1>,2|C<3>}	F(CC[5]FF)	111.0393	0.435	3	111.0393	0.189	3	111.0393	0.189	3	111.0393	0.189	3	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	3:2:4:4:	4:	C[5]-4:F-1:F-1:F-1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6a]O[5]C)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]As[5,5])(CF3)2	F(CC[5]FF)	C(C[5]C[5,6a]O[5]C)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]As[5,5])(CF3)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	F(CC[5]FF)	111.7788	1.441	24	111.6414	1.718	47	111.8303	2.248	266	111.8119	2.262	274	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	3:2:4:4:	4:	C[5]-4:F-1:F-1:F-1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6a]O[5]C)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]As[5,5])(CF3)2	F(CC[5]FF)	C(C[5]C[5,6a]O[5]C)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]As[5,5])(CF3)2{1|H<1>,2|O<2>,3|C<3>}	F(CC[5]FF)	111.4980	1.174	23	111.6414	1.718	47	111.8303	2.248	266	111.8119	2.262	274	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	3:2:4:4:	4:	C[5]-4:F-1:F-1:F-1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6a]O[5]C)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Ge[5,5])(CF3)2	F(CC[5]FF)	C(C[5]C[5,6a]O[5]C)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Ge[5,5])(CF3)2{1|Fe<8>,1|H<1>,1|O<2>,3|C<3>}	F(CC[5]FF)	112.3920	1.952	12	112.3719	3.223	36	111.8303	2.248	266	111.8119	2.262	274	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	3:2:4:4:	4:	C[5]-4:F-1:F-1:F-1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6a]O[5]C)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Ge[5,5])(CF3)2	F(CC[5]FF)	C(C[5]C[5,6a]O[5]C)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Ge[5,5])(CF3)2{1|Ge<5>,1|H<1>,1|O<2>,3|C<3>}	F(CC[5]FF)	112.3619	1.756	24	112.3719	3.223	36	111.8303	2.248	266	111.8119	2.262	274	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	3:2:4:4:	4:	C[5]-4:F-1:F-1:F-1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6a]O[5]C)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Ge[5])(CF3)2	F(CC[5]FF)	C(C[5]C[5,6a]O[5]C)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Ge[5])(CF3)2{1|Ge<4>,1|H<1>,3|C<3>}	F(CC[5]FF)	111.7471	1.619	12	111.7471	2.621	12	111.8303	2.248	266	111.8119	2.262	274	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	3:2:4:4:	4:	C[5]-4:F-1:F-1:F-1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6a]O[5]C)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]I[5])(CF3)2	F(CC[5]FF)	C(C[5]C[5,6a]O[5]C)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]I[5])(CF3)2{1|H<1>,3|C<3>}	F(CC[5]FF)	112.0803	2.274	6	112.0803	5.169	6	111.8303	2.248	266	111.8119	2.262	274	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	3:2:4:4:	4:	C[5]-4:F-1:F-1:F-1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6a]O[5]C)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[4,5])(CF3)2	F(CC[5]FF)	C(C[5]C[5,6a]O[5]C)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[4,5])(CF3)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	F(CC[5]FF)	111.3494	1.316	22	111.3494	1.732	22	111.8303	2.248	266	111.8119	2.262	274	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	3:2:4:4:	4:	C[5]-4:F-1:F-1:F-1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6a]O[5]C)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5,5])(CF3)2	F(CC[5]FF)	C(C[5]C[5,6a]O[5]C)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5,5])(CF3)2{1|O<2>,3|C<3>,3|H<1>}	F(CC[5]FF)	112.2034	1.406	30	112.2034	1.977	30	111.8303	2.248	266	111.8119	2.262	274	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	3:2:4:4:	4:	C[5]-4:F-1:F-1:F-1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6a]O[5]C)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5])(CF3)2	F(CC[5]FF)	C(C[5]C[5,6a]O[5]C)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5])(CF3)2{1|C<4>,1|H<1>,3|C<3>}	F(CC[5]FF)	111.5945	1.219	6	111.4267	0.850	18	111.8303	2.248	266	111.8119	2.262	274	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	3:2:4:4:	4:	C[5]-4:F-1:F-1:F-1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6a]O[5]C)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5])(CF3)2	F(CC[5]FF)	C(C[5]C[5,6a]O[5]C)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5])(CF3)2{1|H<1>,4|C<3>}	F(CC[5]FF)	111.3428	0.785	12	111.4267	0.850	18	111.8303	2.248	266	111.8119	2.262	274	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	3:2:4:4:	4:	C[5]-4:F-1:F-1:F-1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6a]O[5]C)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]S[4,5])(CF3)2	F(CC[5]FF)	C(C[5]C[5,6a]O[5]C)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]S[4,5])(CF3)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	F(CC[5]FF)	111.3527	1.703	6	111.8214	2.639	18	111.8303	2.248	266	111.8119	2.262	274	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	3:2:4:4:	4:	C[5]-4:F-1:F-1:F-1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6a]O[5]C)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]S[4,5])(CF3)2	F(CC[5]FF)	C(C[5]C[5,6a]O[5]C)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]S[4,5])(CF3)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	F(CC[5]FF)	112.0558	1.607	12	111.8214	2.639	18	111.8303	2.248	266	111.8119	2.262	274	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	3:2:4:4:	4:	C[5]-4:F-1:F-1:F-1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6a]O[5]C)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Se[4,5])(CF3)2	F(CC[5]FF)	C(C[5]C[5,6a]O[5]C)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Se[4,5])(CF3)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	F(CC[5]FF)	111.6958	1.836	6	111.6958	3.373	6	111.8303	2.248	266	111.8119	2.262	274	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	3:2:4:4:	4:	C[5]-4:F-1:F-1:F-1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6a]O[5]C)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5,5])(CF3)2	F(CC[5]FF)	C(C[5]C[5,6a]O[5]C)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5,5])(CF3)2{1|H<1>,1|O<2>,3|C<3>}	F(CC[5]FF)	111.4291	1.439	24	111.7316	2.069	36	111.8303	2.248	266	111.8119	2.262	274	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	3:2:4:4:	4:	C[5]-4:F-1:F-1:F-1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6a]O[5]C)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5,5])(CF3)2	F(CC[5]FF)	C(C[5]C[5,6a]O[5]C)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5,5])(CF3)2{1|Si<5>,1|H<1>,1|O<2>,3|C<3>}	F(CC[5]FF)	112.3366	1.287	12	111.7316	2.069	36	111.8303	2.248	266	111.8119	2.262	274	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	3:2:4:4:	4:	C[5]-4:F-1:F-1:F-1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6a]O[5]C)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5])(CF3)2	F(CC[5]FF)	C(C[5]C[5,6a]O[5]C)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5])(CF3)2{1|H<1>,2|C<3>,2|C<4>}	F(CC[5]FF)	111.5827	1.143	12	111.8315	2.399	35	111.8303	2.248	266	111.8119	2.262	274	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	3:2:4:4:	4:	C[5]-4:F-1:F-1:F-1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6a]O[5]C)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5])(CF3)2	F(CC[5]FF)	C(C[5]C[5,6a]O[5]C)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5])(CF3)2{1|Si<4>,1|H<1>,3|C<3>}	F(CC[5]FF)	111.9613	1.733	23	111.8315	2.399	35	111.8303	2.248	266	111.8119	2.262	274	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	3:2:4:4:	4:	C[5]-4:F-1:F-1:F-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(F)3	C[5](C[5]C[4,5]H)(O[5]I[4,5])(CF3)2	F(CC[5]FF)	C(C[5]C[5]O[5]C)(F)3	C[5](C[5]C[4,5]H)(O[5]I[4,5])(CF3)2{1|C<4>,1|O<2>}	F(CC[5]FF)	111.4795	1.764	6	111.4795	3.112	6	111.4795	3.112	6	111.8119	2.262	274	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	3:2:4:4:	4:	C[5]-4:F-1:F-1:H-1:	N[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]N[5]O[5]C)(F)2(H)	C[5](N[5]C[5,6a]C)(O[5]C[5,6a])(CCHH)(CFFH)	F(CC[5]FH)	C(C[5]N[5]O[5]C)(F)2(H)	C[5](N[5]C[5,6a]C)(O[5]C[5,6a])(CCHH)(CFFH){2|C<3>}	F(CC[5]FH)	110.3630	1.131	2	110.3630	1.280	2	110.3630	1.280	2	111.8119	2.262	274	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	3:3:2:4:	4:	C[5]-4:F-1:F-1:F-1:	C[5,6a]-3:C[6a]-3:O[5]-2:C-4:	C-4:	C(C[5]C[5,6a]C[6a]O[5])(F)3	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]As[5])(CF3)	F(CC[5]FF)	C(C[5]C[5,6a]C[6a]O[5])(F)3	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]As[5])(CF3){3|H<1>,7|C<3>}	F(CC[5]FF)	112.7113	0.630	3	112.7113	0.397	3	112.6145	0.303	6	111.8662	1.127	36	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	3:3:2:4:	4:	C[5]-4:F-1:F-1:F-1:	C[5,6a]-3:C[6a]-3:O[5]-2:C-4:	C-4:	C(C[5]C[5,6a]C[6a]O[5])(F)3	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]P[5])(CF3)	F(CC[5]FF)	C(C[5]C[5,6a]C[6a]O[5])(F)3	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]P[5])(CF3){3|H<1>,7|C<3>}	F(CC[5]FF)	112.5177	0.576	3	112.5177	0.332	3	112.6145	0.303	6	111.8662	1.127	36	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	3:3:2:4:	4:	C[5]-4:F-1:F-1:F-1:	C[5,6a]-3:N[5]-3:O-2:C-4:	C-4:	C(C[5]C[5,6a]N[5]O)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(OC[6])(CF3)	F(CC[5]FF)	C(C[5]C[5,6a]N[5]O)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(OC[6])(CF3){1|H<1>,1|O<1>,2|C<3>}	F(CC[5]FF)	111.9673	2.204	3	111.9673	4.857	3	111.9673	4.857	3	111.8662	1.127	36	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	3:3:2:4:	4:	C[5]-4:F-1:F-1:F-1:	C[5a]-3:C[5]-3:O[5]-2:C-4:	C-4:	C(C[5]C[5a]C[5]O[5])(F)3	C[5](C[5a]C[5a]S[5a])(C[5]C[5]H)(O[5]C[5])(CF3)	F(CC[5]FF)	C(C[5]C[5a]C[5]O[5])(F)3	C[5](C[5a]C[5a]S[5a])(C[5]C[5]H)(O[5]C[5])(CF3){1|H<1>,1|N<2>,3|C<3>}	F(CC[5]FF)	111.5860	1.927	3	111.5860	3.714	3	111.5860	3.714	3	111.8662	1.127	36	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	3:3:2:4:	4:	C[5]-4:F-1:F-1:F-1:	C[6a]-3:C[5]-3:N[5]-2:C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(F)3	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5])(CF3)	F(CC[5]FF)	C(C[5]C[6a]C[5]N[5])(F)3	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5])(CF3){3|C<3>,3|H<1>}	F(CC[5]FF)	111.6423	0.766	3	111.6423	0.587	3	111.6423	0.587	3	111.8662	1.127	36	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	3:3:2:4:	4:	C[5]-4:F-1:F-1:F-1:	C[6a]-3:C[5]-3:O[5]-2:C-4:	C-4:	C(C[5]C[6a]C[5]O[5])(F)3	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(CF3)	F(CC[5]FF)	C(C[5]C[6a]C[5]O[5])(F)3	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(CF3){1|N<2>,2|H<1>,3|C<3>}	F(CC[5]FF)	111.5705	0.764	12	111.5705	0.584	12	111.7100	0.766	21	111.8662	1.127	36	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	3:3:2:4:	4:	C[5]-4:F-1:F-1:F-1:	C[6a]-3:C[5]-3:O[5]-2:C-4:	C-4:	C(C[5]C[6a]C[5]O[5])(F)3	C[5](C[6a]C[6a]2)(C[5]O[5]C)(O[5]C[5])(CF3)	F(CC[5]FF)	C(C[5]C[6a]C[5]O[5])(F)3	C[5](C[6a]C[6a]2)(C[5]O[5]C)(O[5]C[5])(CF3){1|C<4>,2|H<1>,3|C<3>}	F(CC[5]FF)	111.5713	0.761	6	111.5713	0.579	6	111.7100	0.766	21	111.8662	1.127	36	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	3:3:2:4:	4:	C[5]-4:F-1:F-1:F-1:	C[6a]-3:C[5]-3:O[5]-2:C-4:	C-4:	C(C[5]C[6a]C[5]O[5])(F)3	C[5](C[6a]C[6a]2)(C[5]O[5]Rh)(O[5]B[5,5])(CF3)	F(CC[5]FF)	C(C[5]C[6a]C[5]O[5])(F)3	C[5](C[6a]C[6a]2)(C[5]O[5]Rh)(O[5]B[5,5])(CF3){2|C<3>,2|H<1>,2|O<2>}	F(CC[5]FF)	112.5450	1.333	3	112.5450	1.777	3	111.7100	0.766	21	111.8662	1.127	36	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	3:3:3:4:	4:	C[5]-4:F-1:F-1:F-1:	C[5,6]-3:C[6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6]C[6a]C[5])(F)3	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]N)(CF3)	F(CC[5]FF)	C(C[5]C[5,6]C[6a]C[5])(F)3	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]N)(CF3){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	F(CC[5]FF)	112.0247	1.602	3	112.0247	2.565	3	112.0247	2.565	3	111.9865	1.037	24	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	3:3:3:4:	4:	C[5]-4:F-1:F-1:F-1:	C[5,6a]-3:C[5]-3:C-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]F)(CF3)	F(CC[5]FF)	C(C[5]C[5,6a]C[5]C)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]F)(CF3){1|C<4>,1|H<1>,2|C<3>}	F(CC[5]FF)	111.8583	1.178	6	111.8583	1.389	6	111.8583	1.389	6	111.9865	1.037	24	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	3:3:3:4:	4:	C[5]-4:F-1:F-1:F-1:	C[6a]-3:N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[6a]N[5]2)(F)3	C[5](C[6a]C[6a]2)(N[5]C[5,6]H)2(CF3)	F(CC[5]FF)	C(C[5]C[6a]N[5]2)(F)3	C[5](C[6a]C[6a]2)(N[5]C[5,6]H)2(CF3){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	F(CC[5]FF)	111.5883	1.345	3	111.5883	1.809	3	112.0302	0.832	15	111.9865	1.037	24	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	3:3:3:4:	4:	C[5]-4:F-1:F-1:F-1:	C[6a]-3:N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[6a]N[5]2)(F)3	C[5](C[6a]C[6a]2)(N[5]C[5]H)2(CF3)	F(CC[5]FF)	C(C[5]C[6a]N[5]2)(F)3	C[5](C[6a]C[6a]2)(N[5]C[5]H)2(CF3){1|O<2>,2|C<3>,5|H<1>}	F(CC[5]FF)	112.1407	0.815	12	112.1407	0.664	12	112.0302	0.832	15	111.9865	1.037	24	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	3:3:4:1:	4:	C[5]-4:F-1:F-1:F-1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Br)(CF3)(H)	F(CC[5]FF)	C(C[5]C[5,6a]C[5]H)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Br)(CF3)(H){1|H<1>,3|C<3>}	F(CC[5]FF)	112.1650	0.942	3	112.1650	0.888	3	112.1650	0.888	3	112.2519	0.877	12	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	3:3:4:1:	4:	C[5]-4:F-1:F-1:F-1:	C[5,6a]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]N[5]H)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(CF3)(H)	F(CC[5]FF)	C(C[5]C[5,6a]N[5]H)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(CF3)(H){1|H<1>,4|C<3>}	F(CC[5]FF)	112.1720	1.310	3	112.1720	1.716	3	112.2280	1.437	6	112.2519	0.877	12	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	3:3:4:1:	4:	C[5]-4:F-1:F-1:F-1:	C[5,6a]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]N[5]H)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CF3)(H)	F(CC[5]FF)	C(C[5]C[5,6a]N[5]H)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CF3)(H){1|C<4>,2|C<3>,2|H<1>}	F(CC[5]FF)	112.2840	1.366	3	112.2840	1.867	3	112.2280	1.437	6	112.2519	0.877	12	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	3:3:4:1:	4:	C[5]-4:F-1:F-1:F-1:	N[5]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(F)3	C[5](N[5]C[6a]O[5])(C[5]C[5]C)(CF3)(H)	F(CC[5]FF)	C(C[5]C[5]N[5]H)(F)3	C[5](N[5]C[6a]O[5])(C[5]C[5]C)(CF3)(H){1|H<1>,3|C<3>}	F(CC[5]FF)	112.3867	0.551	3	112.3867	0.304	3	112.3867	0.304	3	112.2519	0.877	12	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	3:3:4:2:	4:	C[5]-4:F-1:F-1:F-1:	C[5,6a]-3:N[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6a]N[5]O)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CF3)(OH)	F(CC[5]FF)	C(C[5]C[5,6a]N[5]O)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CF3)(OH){2|C<3>,3|H<1>}	F(CC[5]FF)	112.2907	1.451	3	112.2907	2.106	3	112.2907	2.106	3	112.2907	2.106	3	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	3:3:4:3:	4:	C[5]-4:F-1:F-1:F-1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C-4:	C(C[5]C[5,6a]C[5]N)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CF3)(NHS)	F(CC[5]FF)	C(C[5]C[5,6a]C[5]N)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CF3)(NHS){2|C<3>,2|H<1>}	F(CC[5]FF)	111.9288	0.856	5	111.9288	0.732	5	111.9288	0.732	5	111.9288	0.732	5	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	3:3:4:4:	4:	C[5]-4:F-1:F-1:F-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCHH)(CF3)	F(CC[5]FF)	C(C[5]C[5,6a]C[5]C)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCHH)(CF3){1|H<1>,3|C<3>}	F(CC[5]FF)	112.4307	0.844	6	112.4307	0.712	6	112.4307	0.712	6	112.4939	0.347	78	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	3:3:4:4:	4:	C[5]-4:F-1:F-1:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:C-4:	C-4:	C(C[5]C[5,6a]C[6a]C[5])(F)3	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CF3)	F(CC[5]FF)	C(C[5]C[5,6a]C[6a]C[5])(F)3	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CF3){1|C<4>,3|H<1>,5|C<3>}	F(CC[5]FF)	112.7550	1.322	6	112.5413	0.293	69	112.5413	0.293	69	112.4939	0.347	78	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	3:3:4:4:	4:	C[5]-4:F-1:F-1:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:C-4:	C-4:	C(C[5]C[5,6a]C[6a]C[5])(F)3	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CF3)	F(CC[5]FF)	C(C[5]C[5,6a]C[6a]C[5])(F)3	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CF3){4|H<1>,5|C<3>}	F(CC[5]FF)	112.5210	0.419	63	112.5413	0.293	69	112.5413	0.293	69	112.4939	0.347	78	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	3:3:4:4:	4:	C[5]-4:F-1:F-1:F-1:	N[3,5]-3:C[6a]-3:C[5]-4:C-4:	C-4:	C(C[5]N[3,5]C[6a]C[5])(F)3	C[5](N[3,5]C[3,5]C[3])(C[6a]C[6a]2)(C[5]C[5]FF)(CF3)	F(CC[5]FF)	C(C[5]N[3,5]C[6a]C[5])(F)3	C[5](N[3,5]C[3,5]C[3])(C[6a]C[6a]2)(C[5]C[5]FF)(CF3){1|C<4>,2|H<1>,3|C<3>,3|F<1>}	F(CC[5]FF)	111.5287	0.358	3	111.5287	0.128	3	111.5287	0.128	3	112.4939	0.347	78	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	3:4:2:4:	4:	C[5]-4:F-1:F-1:F-1:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5]C[6a]C[5]O[5])(F)3	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CF3)	F(CC[5]FF)	C(C[5]C[6a]C[5]O[5])(F)3	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CF3){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	F(CC[5]FF)	111.6880	0.464	3	111.6975	0.106	6	111.7434	0.463	9	111.9640	0.773	12	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	3:4:2:4:	4:	C[5]-4:F-1:F-1:F-1:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5]C[6a]C[5]O[5])(F)3	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CF3)	F(CC[5]FF)	C(C[5]C[6a]C[5]O[5])(F)3	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CF3){1|N<3>,3|C<3>,3|H<1>}	F(CC[5]FF)	111.7070	0.224	3	111.6975	0.106	6	111.7434	0.463	9	111.9640	0.773	12	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	3:4:2:4:	4:	C[5]-4:F-1:F-1:F-1:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5]C[6a]C[5]O[5])(F)3	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(CF3)	F(CC[5]FF)	C(C[5]C[6a]C[5]O[5])(F)3	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(CF3){1|Br<1>,2|C<3>,2|H<1>}	F(CC[5]FF)	111.8353	1.252	3	111.8353	1.567	3	111.7434	0.463	9	111.9640	0.773	12	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	3:4:2:4:	4:	C[5]-4:F-1:F-1:F-1:	C[6a]-3:C[5]-4:S[5]-2:C-4:	C-4:	C(C[5]C[6a]C[5]S[5])(F)3	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(CF3)	F(CC[5]FF)	C(C[5]C[6a]C[5]S[5])(F)3	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(CF3){1|O<2>,2|C<3>,5|H<1>}	F(CC[5]FF)	112.6257	1.235	3	112.6257	1.526	3	112.6257	1.526	3	111.9640	0.773	12	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	3:4:3:4:	4:	C[5]-4:F-1:F-1:F-1:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[6a]C[5]2)(F)3	C[5](C[6a]C[6a]2)(C[5]O[5]HN)(C[5]C[5]H)(CF3)	F(CC[5]FF)	C(C[5]C[6a]C[5]2)(F)3	C[5](C[6a]C[6a]2)(C[5]O[5]HN)(C[5]C[5]H)(CF3){2|H<1>,3|C<3>}	F(CC[5]FF)	112.6643	0.724	3	112.6643	0.524	3	112.6643	0.524	3	112.4210	0.495	6	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	3:4:3:4:	4:	C[5]-4:F-1:F-1:F-1:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(F)3	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]H)(CF3)	F(CC[5]FF)	C(C[5]C[6a]C[5]N[5])(F)3	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]H)(CF3){1|O<1>,2|C<3>,3|H<1>}	F(CC[5]FF)	112.1777	0.732	3	112.1777	0.535	3	112.1777	0.535	3	112.4210	0.495	6	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	3:4:4:1:	4:	C[5]-4:Br-1:F-1:F-1:	N[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(Br)(F)2	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CBrFF)(H)	F(CC[5]BrF)	C(C[5]C[5]N[5]H)(Br)(F)2	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CBrFF)(H){2|H<1>,3|C<3>}	F(CC[5]BrF)	112.5210	0.283	2	112.5210	0.080	2	112.5210	0.080	2	112.2607	0.787	44	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	3:4:4:1:	4:	C[5]-4:F-1:F-1:F-1:	C[5,5a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5a]C[5]H)(F)3	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5,5]CH)(CF3)(H)	F(CC[5]FF)	C(C[5]C[5,5a]C[5]H)(F)3	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5,5]CH)(CF3)(H){1|N<3>,2|C<3>,2|S<2>}	F(CC[5]FF)	112.5883	0.580	6	112.5883	0.337	6	112.5883	0.337	6	112.2607	0.787	44	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	3:4:4:1:	4:	C[5]-4:F-1:F-1:F-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(CF3)(H)	F(CC[5]FF)	C(C[5]C[5,6a]C[5]H)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(CF3)(H){1|H<1>,1|N<3>,3|C<3>}	F(CC[5]FF)	112.4253	0.685	6	112.4253	0.470	6	112.3778	0.522	18	112.2607	0.787	44	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	3:4:4:1:	4:	C[5]-4:F-1:F-1:F-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(CF3)(H)	F(CC[5]FF)	C(C[5]C[5,6a]C[5]H)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(CF3)(H){1|C<4>,1|H<1>,3|C<3>}	F(CC[5]FF)	112.3800	1.267	3	112.3800	1.605	3	112.3778	0.522	18	112.2607	0.787	44	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	3:4:4:1:	4:	C[5]-4:F-1:F-1:F-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CF3)(H)	F(CC[5]FF)	C(C[5]C[5,6a]C[5]H)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CF3)(H){1|C<4>,1|H<1>,3|C<3>}	F(CC[5]FF)	112.6083	0.820	3	112.6083	0.672	3	112.3778	0.522	18	112.2607	0.787	44	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	3:4:4:1:	4:	C[5]-4:F-1:F-1:F-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CF3)(H)	F(CC[5]FF)	C(C[5]C[5,6a]C[5]H)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CF3)(H){1|H<1>,2|C<3>}	F(CC[5]FF)	112.2247	0.475	3	112.2247	0.225	3	112.3778	0.522	18	112.2607	0.787	44	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	3:4:4:1:	4:	C[5]-4:F-1:F-1:F-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HO)(CF3)(H)	F(CC[5]FF)	C(C[5]C[5,6a]C[5]H)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HO)(CF3)(H){1|H<1>,2|C<3>}	F(CC[5]FF)	112.2030	0.768	3	112.2030	0.589	3	112.3778	0.522	18	112.2607	0.787	44	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	3:4:4:1:	4:	C[5]-4:F-1:F-1:F-1:	N[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(F)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HP)(CF3)(H)	F(CC[5]FF)	C(C[5]C[5]N[5]H)(F)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HP)(CF3)(H){1|O<1>,2|C<3>,2|H<1>}	F(CC[5]FF)	112.0043	1.042	3	112.0043	1.085	3	112.0056	1.235	18	112.2607	0.787	44	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	3:4:4:1:	4:	C[5]-4:F-1:F-1:F-1:	N[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(F)3	C[5](N[5]C[6a]C[5])(C[5]N[5]CC)(CF3)(H)	F(CC[5]FF)	C(C[5]C[5]N[5]H)(F)3	C[5](N[5]C[6a]C[5])(C[5]N[5]CC)(CF3)(H){2|H<1>,3|C<3>}	F(CC[5]FF)	112.3513	1.382	6	112.3513	1.909	6	112.0056	1.235	18	112.2607	0.787	44	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	3:4:4:1:	4:	C[5]-4:F-1:F-1:F-1:	N[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(F)3	C[5](N[5]C[6a]O[5])(C[5]C[5]CH)(CF3)(H)	F(CC[5]FF)	C(C[5]C[5]N[5]H)(F)3	C[5](N[5]C[6a]O[5])(C[5]C[5]CH)(CF3)(H){1|H<1>,3|C<3>}	F(CC[5]FF)	111.7754	1.005	9	111.7754	1.010	9	112.0056	1.235	18	112.2607	0.787	44	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	3:4:4:3:	4:	C[5]-4:F-1:F-1:F-1:	N[5,6]-3:C[5]-4:C-4:C-3:	C-4:	C(C[5]N[5,6]C[5]C)(F)3	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(CF3)(COO)	F(CC[5]FF)	C(C[5]N[5,6]C[5]C)(F)3	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(CF3)(COO){1|C<4>,2|C<3>,3|H<1>}	F(CC[5]FF)	112.3652	2.171	12	112.3652	4.713	12	112.3652	4.713	12	112.3720	4.179	21	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	3:4:4:3:	4:	C[5]-4:F-1:F-1:F-1:	N[5]-3:C[5]-4:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(F)3	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]HH)(CF3)(COO)	F(CC[5]FF)	C(C[5]C[5]N[5]C)(F)3	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]HH)(CF3)(COO){1|C<4>,2|H<1>,3|C<3>}	F(CC[5]FF)	112.3767	2.034	6	112.3767	4.136	6	112.3810	3.967	9	112.3720	4.179	21	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	3:4:4:3:	4:	C[5]-4:F-1:F-1:F-1:	N[5]-3:C[5]-4:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(F)3	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CF3)(COO)	F(CC[5]FF)	C(C[5]C[5]N[5]C)(F)3	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CF3)(COO){2|H<1>,3|C<3>}	F(CC[5]FF)	112.3897	2.351	3	112.3897	5.527	3	112.3810	3.967	9	112.3720	4.179	21	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	3:4:4:4:	4:	C[5]-4:F-1:F-1:F-1:	C[6a]-3:C[5]-4:C[5]-4:C-4:	C-4:	C(C[5]C[6a]C[5]2)(F)3	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(CF3)	F(CC[5]FF)	C(C[5]C[6a]C[5]2)(F)3	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(CF3){3|C<3>,4|H<1>}	F(CC[5]FF)	112.5183	0.886	3	112.5183	0.785	3	112.5183	0.785	3	112.2506	1.315	27	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	3:4:4:4:	4:	C[5]-4:F-1:F-1:F-1:	N[5,5]-3:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5]C[5,5,6]N[5,5]C)(F)3	C[5](N[5,5]C[5,5,6]N[5,5])(C[5,5,6]C[5,5,6]2H)(CF3)2	F(CC[5]FF)	C(C[5]C[5,5,6]N[5,5]C)(F)3	C[5](N[5,5]C[5,5,6]N[5,5])(C[5,5,6]C[5,5,6]2H)(CF3)2{1|C<3>,3|H<1>,5|C<4>}	F(CC[5]FF)	112.4081	1.079	12	112.2171	1.407	24	112.2171	1.407	24	112.2506	1.315	27	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	3:4:4:4:	4:	C[5]-4:F-1:F-1:F-1:	N[5,5]-3:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5]C[5,5,6]N[5,5]C)(F)3	C[5](N[5,5]C[5,5,6]N[5,5])(C[5,5,6]C[5,5,6]2H)(CF3)2	F(CC[5]FF)	C(C[5]C[5,5,6]N[5,5]C)(F)3	C[5](N[5,5]C[5,5,6]N[5,5])(C[5,5,6]C[5,5,6]2H)(CF3)2{3|H<1>,6|C<4>}	F(CC[5]FF)	112.0261	1.303	12	112.2171	1.407	24	112.2171	1.407	24	112.2506	1.315	27	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:2:3:4:	4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:O[5]-2:C-3:C-4:	C-4:	C(C[5]C[5]O[5]C)(F)3	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC[6a]O)(CF3)	F(CC[5]FF)	C(C[5]C[5]O[5]C)(F)3	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>}	F(CC[5]FF)	111.6180	0.560	3	111.6180	0.313	3	111.6180	0.313	3	111.6180	0.313	3	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:2:4:1:	4:	C[5]-4:F-1:F-1:F-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(F)3	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5])(CF3)(H)	F(CC[5]FF)	C(C[5]C[5,5]O[5]H)(F)3	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5])(CF3)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	F(CC[5]FF)	112.0643	2.275	3	112.0643	5.177	3	112.0643	5.177	3	111.7314	3.012	31	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:2:4:1:	4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:N[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(F)3	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5])(CF3)(H)	F(CC[5]FF)	C(C[5]C[5]N[5]H)(F)3	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5])(CF3)(H){1|O<2>,5|C<3>}	F(CC[5]FF)	112.3987	1.325	3	112.0458	2.906	12	112.0729	2.378	24	111.7314	3.012	31	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:2:4:1:	4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:N[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(F)3	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5])(CF3)(H)	F(CC[5]FF)	C(C[5]C[5]N[5]H)(F)3	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5])(CF3)(H){6|C<3>}	F(CC[5]FF)	111.9282	1.869	9	112.0458	2.906	12	112.0729	2.378	24	111.7314	3.012	31	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:2:4:1:	4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:N[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(F)3	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5])(CF3)(H)	F(CC[5]FF)	C(C[5]C[5]N[5]H)(F)3	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5])(CF3)(H){1|S<2>,5|C<3>}	F(CC[5]FF)	112.4437	2.397	3	112.4437	5.744	3	112.0729	2.378	24	111.7314	3.012	31	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:2:4:1:	4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:N[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(F)3	C[5](C[5]C[6a]C[5]H)(N[5]C[5])(CF3)(H)	F(CC[5]FF)	C(C[5]C[5]N[5]H)(F)3	C[5](C[5]C[6a]C[5]H)(N[5]C[5])(CF3)(H){1|H<1>,5|C<3>}	F(CC[5]FF)	112.1283	1.977	3	112.1283	3.907	3	112.0729	2.378	24	111.7314	3.012	31	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:2:4:1:	4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:N[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(F)3	C[5](C[5]C[6a]O[5]H)(N[5]C[5])(CF3)(H)	F(CC[5]FF)	C(C[5]C[5]N[5]H)(F)3	C[5](C[5]C[6a]O[5]H)(N[5]C[5])(CF3)(H){1|C<4>,2|C<3>}	F(CC[5]FF)	112.3367	0.713	3	112.3367	0.509	3	112.0729	2.378	24	111.7314	3.012	31	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:2:4:1:	4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:N[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(F)3	C[5](C[5]N[5]CH)(N[5]N[5])(CF3)(H)	F(CC[5]FF)	C(C[5]C[5]N[5]H)(F)3	C[5](C[5]N[5]CH)(N[5]N[5])(CF3)(H){1|C<3>}	F(CC[5]FF)	111.4910	0.614	3	111.4910	0.378	3	112.0729	2.378	24	111.7314	3.012	31	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:2:4:1:	4:	C[5]-4:F-1:F-1:H-1:	C[5]-4:N[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(F)2(H)	C[5](C[5]C[5,5]CH)(N[5]N[5])(CFFH)(H)	F(CC[5]FH)	C(C[5]C[5]N[5]H)(F)2(H)	C[5](C[5]C[5,5]CH)(N[5]N[5])(CFFH)(H){2|C<3>}	F(CC[5]FH)	109.4330	0.594	4	109.4330	0.352	4	109.4330	0.352	4	111.7314	3.012	31	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:2:4:2:	4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:N[5]-2:C-4:O-2:	C-4:	C(C[5]C[5]N[5]O)(F)3	C[5](C[5]O[5]CH)(N[5]C[5])(CF3)(OH)	F(CC[5]FF)	C(C[5]C[5]N[5]O)(F)3	C[5](C[5]O[5]CH)(N[5]C[5])(CF3)(OH){1|C<3>}	F(CC[5]FF)	111.5122	0.485	6	111.5122	0.235	6	111.5938	0.297	9	111.3707	0.799	23	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:2:4:2:	4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:N[5]-2:C-4:O-2:	C-4:	C(C[5]C[5]N[5]O)(F)3	C[5](C[5]S[5]CH)(N[5]C[5])(CF3)(OH)	F(CC[5]FF)	C(C[5]C[5]N[5]O)(F)3	C[5](C[5]S[5]CH)(N[5]C[5])(CF3)(OH){1|C<3>}	F(CC[5]FF)	111.7570	0.734	3	111.7570	0.538	3	111.5938	0.297	9	111.3707	0.799	23	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:2:4:2:	4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:O[5]-2:C-4:O-2:	C-4:	C(C[5]C[5]O[5]O)(F)3	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CF3)(OH)	F(CC[5]FF)	C(C[5]C[5]O[5]O)(F)3	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CF3)(OH){2|C<3>}	F(CC[5]FF)	111.4723	1.109	3	111.4723	1.230	3	111.4710	0.859	12	111.3707	0.799	23	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:2:4:2:	4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:O[5]-2:C-4:O-2:	C-4:	C(C[5]C[5]O[5]O)(F)3	C[5](C[5]C[5]HH)(O[5]C[5])(CF3)(OH)	F(CC[5]FF)	C(C[5]C[5]O[5]O)(F)3	C[5](C[5]C[5]HH)(O[5]C[5])(CF3)(OH){1|C<2>,1|C<3>}	F(CC[5]FF)	111.4737	0.554	3	111.4737	0.307	3	111.4710	0.859	12	111.3707	0.799	23	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:2:4:2:	4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:O[5]-2:C-4:O-2:	C-4:	C(C[5]C[5]O[5]O)(F)3	C[5](C[5]C[5]HH)(O[5]O[5])(CF3)(OH)	F(CC[5]FF)	C(C[5]C[5]O[5]O)(F)3	C[5](C[5]C[5]HH)(O[5]O[5])(CF3)(OH){1|C<4>,1|O<2>}	F(CC[5]FF)	111.4690	1.129	6	111.4690	1.275	6	111.4710	0.859	12	111.3707	0.799	23	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:2:4:2:	4:	C[5]-4:F-1:F-1:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C-4:	C(C[5]C[5]O[5]O)(F)2(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CFFH)(OH)	F(CC[5]FH)	C(C[5]C[5]O[5]O)(F)2(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CFFH)(OH){2|C<4>}	F(CC[5]FH)	109.7655	0.180	2	109.7655	0.033	2	109.7655	0.033	2	111.3707	0.799	23	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:2:4:3:	4:	C[5]-4:F-1:F-1:F-1:	C[5,5]-4:O[5]-2:C-4:C-3:	C-4:	C(C[5]C[5,5]O[5]C)(F)3	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5])(CF3)(COO)	F(CC[5]FF)	C(C[5]C[5,5]O[5]C)(F)3	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>}	F(CC[5]FF)	111.2857	1.932	3	111.2857	3.734	3	111.2857	3.734	3	111.2857	3.734	3	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:2:4:4:	4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:N[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(F)3	C[5](C[5]N[5]CH)(N[5]N[5])(CF3)(CH3)	F(CC[5]FF)	C(C[5]C[5]N[5]C)(F)3	C[5](C[5]N[5]CH)(N[5]N[5])(CF3)(CH3){1|C<3>}	F(CC[5]FF)	111.9094	1.072	5	111.9094	1.149	5	111.9094	1.149	5	111.9751	1.125	17	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:2:4:4:	4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(F)3	C[5](C[5]C[5]HH)(O[5]B[5])(CF3)2	F(CC[5]FF)	C(C[5]C[5]O[5]C)(F)3	C[5](C[5]C[5]HH)(O[5]B[5])(CF3)2{1|C<4>,1|H<1>,2|C<3>}	F(CC[5]FF)	112.2512	1.065	6	112.2512	1.135	6	112.0024	1.216	12	111.9751	1.125	17	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:2:4:4:	4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(F)3	C[5](C[5]P[5]HH)(O[5]B[5])(CF3)2	F(CC[5]FF)	C(C[5]C[5]O[5]C)(F)3	C[5](C[5]P[5]HH)(O[5]B[5])(CF3)2{2|C<3>,2|C<4>}	F(CC[5]FF)	111.7537	1.180	6	111.7537	1.391	6	112.0024	1.216	12	111.9751	1.125	17	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:3:2:4:	4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:C[6a]-3:N[5]-2:C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(F)3	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(CF3)	F(CC[5]FF)	C(C[5]C[6a]C[5]N[5])(F)3	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(CF3){1|S<4>,3|H<1>,4|C<3>}	F(CC[5]FF)	111.9823	0.442	3	111.9823	0.195	3	112.0065	0.307	6	112.0065	0.307	6	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:3:2:4:	4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:C[6a]-3:N[5]-2:C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(F)3	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5])(CF3)	F(CC[5]FF)	C(C[5]C[6a]C[5]N[5])(F)3	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5])(CF3){1|N<2>,3|C<3>,3|H<1>}	F(CC[5]FF)	112.0307	0.755	3	112.0307	0.570	3	112.0065	0.307	6	112.0065	0.307	6	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:3:4:1:	4:	C[5]-4:F-1:F-1:F-1:	C[3,5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[3,5]N[5]H)(F)3	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]S)(CF3)(H)	F(CC[5]FF)	C(C[5]C[3,5]N[5]H)(F)3	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]S)(CF3)(H){1|C<4>,2|H<1>}	F(CC[5]FF)	112.2823	2.546	3	111.9877	5.128	12	111.9877	5.128	12	112.1182	1.861	94	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:3:4:1:	4:	C[5]-4:F-1:F-1:F-1:	C[3,5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[3,5]N[5]H)(F)3	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]S)(CF3)(H)	F(CC[5]FF)	C(C[5]C[3,5]N[5]H)(F)3	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]S)(CF3)(H){1|H<1>,2|C<4>}	F(CC[5]FF)	111.8894	2.321	9	111.9877	5.128	12	111.9877	5.128	12	112.1182	1.861	94	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:3:4:1:	4:	C[5]-4:F-1:F-1:F-1:	C[5,5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]N[5]H)(F)3	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C[6a])(CF3)(H)	F(CC[5]FF)	C(C[5]C[5,5]N[5]H)(F)3	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C[6a])(CF3)(H){1|N<3>,2|H<1>,2|N<2>,3|C<3>}	F(CC[5]FF)	111.8367	0.651	3	111.8367	0.424	3	111.8367	0.424	3	112.1182	1.861	94	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:3:4:1:	4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(F)3	C[5](C[5]C[5,6]CH)(C[5]N[5]O)(CF3)(H)	F(CC[5]FF)	C(C[5]C[5]2H)(F)3	C[5](C[5]C[5,6]CH)(C[5]N[5]O)(CF3)(H){1|C<4>,2|C<3>}	F(CC[5]FF)	112.1835	1.167	2	112.1835	1.363	2	112.3149	0.975	14	112.1182	1.861	94	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:3:4:1:	4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(F)3	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5]O)(CF3)(H)	F(CC[5]FF)	C(C[5]C[5]2H)(F)3	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5]O)(CF3)(H){1|C<4>,4|C<3>}	F(CC[5]FF)	112.1257	0.566	3	112.1257	0.321	3	112.3149	0.975	14	112.1182	1.861	94	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:3:4:1:	4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(F)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(CF3)(H)	F(CC[5]FF)	C(C[5]C[5]2H)(F)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(CF3)(H){1|C<3>,2|H<1>}	F(CC[5]FF)	112.4108	1.442	6	112.4108	2.080	6	112.3149	0.975	14	112.1182	1.861	94	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:3:4:1:	4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(F)3	C[5](C[5]C[5]HH)(C[5]N[5]C)(CF3)(H)	F(CC[5]FF)	C(C[5]C[5]2H)(F)3	C[5](C[5]C[5]HH)(C[5]N[5]C)(CF3)(H){3|C<3>}	F(CC[5]FF)	112.3997	0.170	3	112.3997	0.029	3	112.3149	0.975	14	112.1182	1.861	94	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:3:4:1:	4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(F)3	C[5](C[5]C[5,5]CH)(N[5]C[5,5]H)(CF3)(H)	F(CC[5]FF)	C(C[5]C[5]N[5]H)(F)3	C[5](C[5]C[5,5]CH)(N[5]C[5,5]H)(CF3)(H){1|S<2>,3|C<3>}	F(CC[5]FF)	112.4077	2.353	3	112.4077	5.537	3	112.1130	1.596	65	112.1182	1.861	94	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:3:4:1:	4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(F)3	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]H)(CF3)(H)	F(CC[5]FF)	C(C[5]C[5]N[5]H)(F)3	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]H)(CF3)(H){1|C<4>,5|C<3>}	F(CC[5]FF)	111.9223	1.499	6	111.9223	2.247	6	112.1130	1.596	65	112.1182	1.861	94	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:3:4:1:	4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(F)3	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(CF3)(H)	F(CC[5]FF)	C(C[5]C[5]N[5]H)(F)3	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(CF3)(H){1|S<2>,5|C<3>}	F(CC[5]FF)	112.2212	1.720	6	112.2212	2.957	6	112.1130	1.596	65	112.1182	1.861	94	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:3:4:1:	4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(F)3	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]S)(CF3)(H)	F(CC[5]FF)	C(C[5]C[5]N[5]H)(F)3	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]S)(CF3)(H){1|C<4>,3|C<3>}	F(CC[5]FF)	111.9027	1.711	3	111.9027	2.926	3	112.1130	1.596	65	112.1182	1.861	94	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:3:4:1:	4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(F)3	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(CF3)(H)	F(CC[5]FF)	C(C[5]C[5]N[5]H)(F)3	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(CF3)(H){2|C<3>}	F(CC[5]FF)	112.3173	0.741	3	112.3173	0.550	3	112.1130	1.596	65	112.1182	1.861	94	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:3:4:1:	4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(F)3	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]C)(CF3)(H)	F(CC[5]FF)	C(C[5]C[5]N[5]H)(F)3	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]C)(CF3)(H){2|C<3>}	F(CC[5]FF)	111.9090	0.796	3	111.9090	0.634	3	112.1130	1.596	65	112.1182	1.861	94	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:3:4:1:	4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(F)3	C[5](C[5]C[5]CH)(N[5]N[5]H)(CF3)(H)	F(CC[5]FF)	C(C[5]C[5]N[5]H)(F)3	C[5](C[5]C[5]CH)(N[5]N[5]H)(CF3)(H){1|C<3>,1|O<1>}	F(CC[5]FF)	111.8713	0.822	3	111.8713	0.676	3	112.1130	1.596	65	112.1182	1.861	94	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:3:4:1:	4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(F)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(CF3)(H)	F(CC[5]FF)	C(C[5]C[5]N[5]H)(F)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(CF3)(H){4|H<1>}	F(CC[5]FF)	111.9870	1.461	6	111.9870	2.134	6	112.1130	1.596	65	112.1182	1.861	94	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:3:4:1:	4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(F)3	C[5](C[5]C[5]HH)(N[5]C[5]H)(CF3)(H)	F(CC[5]FF)	C(C[5]C[5]N[5]H)(F)3	C[5](C[5]C[5]HH)(N[5]C[5]H)(CF3)(H){1|O<1>,2|H<1>}	F(CC[5]FF)	112.1907	0.751	3	112.1907	0.564	3	112.1130	1.596	65	112.1182	1.861	94	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:3:4:1:	4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(F)3	C[5](C[5]C[5]HH)(N[5]N[5]H)(CF3)(H)	F(CC[5]FF)	C(C[5]C[5]N[5]H)(F)3	C[5](C[5]C[5]HH)(N[5]N[5]H)(CF3)(H){1|C<3>,1|O<1>}	F(CC[5]FF)	112.1289	0.917	8	112.1289	0.841	8	112.1130	1.596	65	112.1182	1.861	94	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:3:4:1:	4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(F)3	C[5](C[5]C[5]HN)(N[5]C[5]C)(CF3)(H)	F(CC[5]FF)	C(C[5]C[5]N[5]H)(F)3	C[5](C[5]C[5]HN)(N[5]C[5]C)(CF3)(H){1|O<2>,3|H<1>}	F(CC[5]FF)	112.5377	1.546	3	112.5377	2.389	3	112.1130	1.596	65	112.1182	1.861	94	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:3:4:1:	4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(F)3	C[5](C[5]C[5]HN)(N[5]N[5]H)(CF3)(H)	F(CC[5]FF)	C(C[5]C[5]N[5]H)(F)3	C[5](C[5]C[5]HN)(N[5]N[5]H)(CF3)(H){1|H<1>,2|C<3>}	F(CC[5]FF)	111.6587	1.467	3	111.6587	2.152	3	112.1130	1.596	65	112.1182	1.861	94	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:3:4:1:	4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(F)3	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]H)(CF3)(H)	F(CC[5]FF)	C(C[5]C[5]N[5]H)(F)3	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]H)(CF3)(H){1|H<1>,5|C<3>}	F(CC[5]FF)	112.9127	1.594	3	112.9127	2.540	3	112.1130	1.596	65	112.1182	1.861	94	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:3:4:1:	4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(F)3	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CF3)(H)	F(CC[5]FF)	C(C[5]C[5]N[5]H)(F)3	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CF3)(H){1|H<1>,1|N<3>,4|C<3>}	F(CC[5]FF)	112.1437	1.494	3	112.2017	1.213	6	112.1130	1.596	65	112.1182	1.861	94	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:3:4:1:	4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(F)3	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CF3)(H)	F(CC[5]FF)	C(C[5]C[5]N[5]H)(F)3	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CF3)(H){1|H<1>,5|C<3>}	F(CC[5]FF)	112.2597	0.890	3	112.2017	1.213	6	112.1130	1.596	65	112.1182	1.861	94	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:3:4:1:	4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(F)3	C[5](C[5]C[6a]C[5]H)(N[5]N[5]H)(CF3)(H)	F(CC[5]FF)	C(C[5]C[5]N[5]H)(F)3	C[5](C[5]C[6a]C[5]H)(N[5]N[5]H)(CF3)(H){3|C<3>}	F(CC[5]FF)	111.9167	1.003	3	111.9167	1.006	3	112.1130	1.596	65	112.1182	1.861	94	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:3:4:1:	4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(F)3	C[5](C[5]O[5]HH)(N[5]C[5]S)(CF3)(H)	F(CC[5]FF)	C(C[5]C[5]N[5]H)(F)3	C[5](C[5]O[5]HH)(N[5]C[5]S)(CF3)(H){1|C<4>,1|H<1>}	F(CC[5]FF)	111.8157	2.326	3	111.8157	5.410	3	112.1130	1.596	65	112.1182	1.861	94	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:3:4:2:	4:	C[5]-4:F-1:F-1:F-1:	C[4,5]-4:N[5]-3:C-4:O-2:	C-4:	C(C[5]C[4,5]N[5]O)(F)3	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]C)(CF3)(OH)	F(CC[5]FF)	C(C[5]C[4,5]N[5]O)(F)3	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]C)(CF3)(OH){1|C<4>,1|O<1>,3|H<1>}	F(CC[5]FF)	112.0317	0.673	3	112.0317	0.453	3	112.0317	0.453	3	111.7328	1.237	30	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:3:4:2:	4:	C[5]-4:F-1:F-1:F-1:	C[5,5]-4:N[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,5]N[5]O)(F)3	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(CF3)(OH)	F(CC[5]FF)	C(C[5]C[5,5]N[5]O)(F)3	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(CF3)(OH){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	F(CC[5]FF)	111.3624	1.148	9	111.3624	1.317	9	111.3624	1.317	9	111.7328	1.237	30	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:3:4:2:	4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5]2O)(F)3	C[5](C[5]C[5]HH)(C[5]N[5]O)(CF3)(OH)	F(CC[5]FF)	C(C[5]C[5]2O)(F)3	C[5](C[5]C[5]HH)(C[5]N[5]O)(CF3)(OH){1|C<3>,1|C<4>,1|O<2>}	F(CC[5]FF)	111.8772	0.676	6	111.8772	0.456	6	111.8772	0.456	6	111.7328	1.237	30	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:3:4:2:	4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:N[5]-3:C-4:O-2:	C-4:	C(C[5]C[5]N[5]O)(F)3	C[5](C[5]C[5]HH)(N[5]N[5]C)(CF3)(OH)	F(CC[5]FF)	C(C[5]C[5]N[5]O)(F)3	C[5](C[5]C[5]HH)(N[5]N[5]C)(CF3)(OH){1|C<4>}	F(CC[5]FF)	112.0860	1.829	6	112.0860	3.345	6	111.8637	1.847	12	111.7328	1.237	30	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:3:4:2:	4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:N[5]-3:C-4:O-2:	C-4:	C(C[5]C[5]N[5]O)(F)3	C[5](C[5]C[5]HH)(N[5]N[5]H)(CF3)(OH)	F(CC[5]FF)	C(C[5]C[5]N[5]O)(F)3	C[5](C[5]C[5]HH)(N[5]N[5]H)(CF3)(OH){1|C<3>}	F(CC[5]FF)	111.7467	0.892	3	111.7467	0.795	3	111.8637	1.847	12	111.7328	1.237	30	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:3:4:2:	4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:N[5]-3:C-4:O-2:	C-4:	C(C[5]C[5]N[5]O)(F)3	C[5](C[5]C[5]HO)(N[5]C[5]C)(CF3)(OH)	F(CC[5]FF)	C(C[5]C[5]N[5]O)(F)3	C[5](C[5]C[5]HO)(N[5]C[5]C)(CF3)(OH){1|H<1>,1|O<1>,1|O<2>}	F(CC[5]FF)	111.5360	0.821	3	111.5360	0.674	3	111.8637	1.847	12	111.7328	1.237	30	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:3:4:3:	4:	C[5]-4:F-1:F-1:F-1:	C[3,5]-4:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[3,5]N[5]C)(F)3	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(CF3)(COO)	F(CC[5]FF)	C(C[5]C[3,5]N[5]C)(F)3	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(CF3)(COO){1|C<3>,4|H<1>}	F(CC[5]FF)	111.7890	1.370	3	111.7890	1.878	3	111.7890	1.878	3	111.9259	1.860	21	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:3:4:3:	4:	C[5]-4:F-1:F-1:F-1:	C[5,5]-4:C[5,5a]-3:C-4:C-3:	C-4:	C(C[5]C[5,5a]C[5,5]C)(F)3	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,5a]C[5,5a]C[5a])(CF3)(COO)	F(CC[5]FF)	C(C[5]C[5,5a]C[5,5]C)(F)3	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,5a]C[5,5a]C[5a])(CF3)(COO){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|N<3>}	F(CC[5]FF)	111.8287	2.015	3	111.8287	4.060	3	111.8287	4.060	3	111.9259	1.860	21	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:3:4:3:	4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]2C)(F)3	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CF3)(COO)	F(CC[5]FF)	C(C[5]C[5]2C)(F)3	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CF3)(COO){2|C<3>}	F(CC[5]FF)	112.0453	1.243	3	112.0453	1.544	3	112.1267	1.922	6	111.9259	1.860	21	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:3:4:3:	4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]2C)(F)3	C[5](C[5]C[5]HH)(C[5]N[5]O)(CF3)(COO)	F(CC[5]FF)	C(C[5]C[5]2C)(F)3	C[5](C[5]C[5]HH)(C[5]N[5]O)(CF3)(COO){1|C<3>,1|C<4>,1|H<1>}	F(CC[5]FF)	112.2080	1.801	3	112.2080	3.242	3	112.1267	1.922	6	111.9259	1.860	21	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:3:4:3:	4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(F)3	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(CF3)(COO)	F(CC[5]FF)	C(C[5]C[5]N[5]C)(F)3	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(CF3)(COO){1|H<1>,5|C<3>}	F(CC[5]FF)	112.2067	1.937	3	112.2067	3.751	3	112.2067	3.751	3	111.9259	1.860	21	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:3:4:3:	4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:N[5]-3:C-4:N-3:	C-4:	C(C[5]C[5]N[5]N)(F)3	C[5](C[5]C[5]HO)(N[5]C[5]C)(CF3)(NCH)	F(CC[5]FF)	C(C[5]C[5]N[5]N)(F)3	C[5](C[5]C[5]HO)(N[5]C[5]C)(CF3)(NCH){1|H<1>,1|O<1>,1|O<2>}	F(CC[5]FF)	111.7018	1.212	6	111.7018	1.468	6	111.7018	1.468	6	111.9259	1.860	21	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:3:4:4:	4:	C[5]-4:F-1:F-1:F-1:	C[5,6]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6]C[5]C)(F)3	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(CF3)(CH3)	F(CC[5]FF)	C(C[5]C[5,6]C[5]C)(F)3	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(CF3)(CH3){1|C<4>,2|C<3>,2|H<1>}	F(CC[5]FF)	112.2287	1.211	3	112.2287	1.467	3	112.2287	1.467	3	112.2518	1.104	15	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:3:4:4:	4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(F)3	C[5](C[5]C[5]CH)(C[5]N[5]C)(CF3)(CH3)	F(CC[5]FF)	C(C[5]C[5]2C)(F)3	C[5](C[5]C[5]CH)(C[5]N[5]C)(CF3)(CH3){1|C<3>,1|H<1>,1|O<1>}	F(CC[5]FF)	112.2576	1.067	12	112.2576	1.138	12	112.2576	1.138	12	112.2518	1.104	15	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:4:4:1:	4:	C[5]-4:F-1:F-1:F-1:	C[5,5]-4:C[5,5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]2H)(F)3	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5,6a]C[5]2)(CF3)(H)	F(CC[5]FF)	C(C[5]C[5,5]2H)(F)3	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5,6a]C[5]2)(CF3)(H){1|H<1>,1|S<1>,2|N<3>,2|O<1>,4|C<3>}	F(CC[5]FF)	111.9657	2.994	3	111.9657	8.963	3	111.9657	8.963	3	112.3822	2.340	51	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:4:4:1:	4:	C[5]-4:F-1:F-1:F-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(F)3	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CC)(CF3)(H)	F(CC[5]FF)	C(C[5]C[5,5]C[5]H)(F)3	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CC)(CF3)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	F(CC[5]FF)	112.5317	2.176	3	112.5317	4.733	3	112.5317	4.733	3	112.3822	2.340	51	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:4:4:1:	4:	C[5]-4:F-1:F-1:F-1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]2H)(F)3	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6]H)(CF3)(H)	F(CC[5]FF)	C(C[5]C[5,6]2H)(F)3	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6]H)(CF3)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	F(CC[5]FF)	112.2137	3.636	3	112.2137	13.217	3	112.2137	13.217	3	112.3822	2.340	51	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:4:4:1:	4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(F)3	C[5](C[5]C[4,5]CH)(C[5]S[5]HH)(CF3)(H)	F(CC[5]FF)	C(C[5]C[5]2H)(F)3	C[5](C[5]C[4,5]CH)(C[5]S[5]HH)(CF3)(H){2|C<4>}	F(CC[5]FF)	112.3310	0.953	3	112.3310	0.908	3	112.4133	1.523	42	112.3822	2.340	51	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:4:4:1:	4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(F)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CF3)(H)	F(CC[5]FF)	C(C[5]C[5]2H)(F)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CF3)(H){1|C<3>,1|H<1>}	F(CC[5]FF)	112.0557	0.485	3	112.0557	0.235	3	112.4133	1.523	42	112.3822	2.340	51	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:4:4:1:	4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(F)3	C[5](C[5]C[5]CH)(C[5]N[5]CH)(CF3)(H)	F(CC[5]FF)	C(C[5]C[5]2H)(F)3	C[5](C[5]C[5]CH)(C[5]N[5]CH)(CF3)(H){1|H<1>,2|C<3>}	F(CC[5]FF)	112.2550	2.203	9	112.2550	4.855	9	112.4133	1.523	42	112.3822	2.340	51	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:4:4:1:	4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(F)3	C[5](C[5]C[5]CH)(C[5]S[5]HH)(CF3)(H)	F(CC[5]FF)	C(C[5]C[5]2H)(F)3	C[5](C[5]C[5]CH)(C[5]S[5]HH)(CF3)(H){2|C<3>}	F(CC[5]FF)	112.6390	0.912	3	112.6390	0.832	3	112.4133	1.523	42	112.3822	2.340	51	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:4:4:1:	4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(F)3	C[5](C[5]C[5]HH)(C[5]N[5]CC)(CF3)(H)	F(CC[5]FF)	C(C[5]C[5]2H)(F)3	C[5](C[5]C[5]HH)(C[5]N[5]CC)(CF3)(H){1|O<1>,1|O<2>}	F(CC[5]FF)	112.4328	1.585	6	112.4328	2.512	6	112.4133	1.523	42	112.3822	2.340	51	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:4:4:1:	4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(F)3	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CF3)(H)	F(CC[5]FF)	C(C[5]C[5]2H)(F)3	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CF3)(H){1|C<3>}	F(CC[5]FF)	112.5197	0.965	3	112.5197	0.932	3	112.4133	1.523	42	112.3822	2.340	51	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:4:4:1:	4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(F)3	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CF3)(H)	F(CC[5]FF)	C(C[5]C[5]2H)(F)3	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CF3)(H){1|C<3>,1|O<1>}	F(CC[5]FF)	113.0520	0.547	3	112.6149	0.328	12	112.4133	1.523	42	112.3822	2.340	51	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:4:4:1:	4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(F)3	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CF3)(H)	F(CC[5]FF)	C(C[5]C[5]2H)(F)3	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CF3)(H){1|C<3>}	F(CC[5]FF)	112.6650	0.569	3	112.6149	0.328	12	112.4133	1.523	42	112.3822	2.340	51	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:4:4:1:	4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(F)3	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CF3)(H)	F(CC[5]FF)	C(C[5]C[5]2H)(F)3	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CF3)(H){1|H<1>,2|C<3>}	F(CC[5]FF)	112.3093	0.764	3	112.6149	0.328	12	112.4133	1.523	42	112.3822	2.340	51	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:4:4:1:	4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(F)3	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CF3)(H)	F(CC[5]FF)	C(C[5]C[5]2H)(F)3	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CF3)(H){1|O<1>,1|S<4>}	F(CC[5]FF)	112.4333	0.340	3	112.6149	0.328	12	112.4133	1.523	42	112.3822	2.340	51	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:4:4:1:	4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(F)3	C[5](C[5]C[5a]O[5]H)(C[5]C[5]HH)(CF3)(H)	F(CC[5]FF)	C(C[5]C[5]2H)(F)3	C[5](C[5]C[5a]O[5]H)(C[5]C[5]HH)(CF3)(H){1|O<1>,2|C<3>}	F(CC[5]FF)	112.1503	0.242	3	112.1503	0.059	3	112.4133	1.523	42	112.3822	2.340	51	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:4:4:2:	4:	C[5]-4:F-1:F-1:F-1:	C[3,5]-4:N[5]-4:C-4:O-2:	C-4:	C(C[5]C[3,5]N[5]O)(F)3	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]HH)(CF3)(OH)	F(CC[5]FF)	C(C[5]C[3,5]N[5]O)(F)3	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]HH)(CF3)(OH){1|C<3>,2|C<4>,2|H<1>}	F(CC[5]FF)	111.3197	1.976	3	111.3197	3.903	3	111.3197	3.903	3	111.3197	3.903	3	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:4:4:3:	4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:C[5]-4:C-4:C-3:	C-4:	C(C[5]C[5]2C)(F)3	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]HH)(CF3)(COO)	F(CC[5]FF)	C(C[5]C[5]2C)(F)3	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]HH)(CF3)(COO){2|C<3>}	F(CC[5]FF)	112.3873	3.298	3	112.3873	10.876	3	112.3873	10.876	3	112.0553	4.721	6	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:4:4:3:	4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:N[5]-4:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(F)3	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CF3)(CNO)	F(CC[5]FF)	C(C[5]C[5]N[5]C)(F)3	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CF3)(CNO){4|H<1>}	F(CC[5]FF)	111.7233	0.772	3	111.7233	0.596	3	111.7233	0.596	3	112.0553	4.721	6	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:4:4:4:	4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(F)3	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CF3)(CH3)	F(CC[5]FF)	C(C[5]C[5]2C)(F)3	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CF3)(CH3){1|C<3>,2|H<1>}	F(CC[5]FF)	112.7728	1.277	6	112.7728	1.631	6	112.6014	1.879	21	112.6014	1.879	21	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:4:4:4:	4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(F)3	C[5](C[5]C[5]CH)(C[5]N[5]CH)(CF3)(CH3)	F(CC[5]FF)	C(C[5]C[5]2C)(F)3	C[5](C[5]C[5]CH)(C[5]N[5]CH)(CF3)(CH3){1|C<3>,2|H<1>}	F(CC[5]FF)	112.9167	0.733	3	112.9167	0.537	3	112.6014	1.879	21	112.6014	1.879	21	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:4:4:4:	4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(F)3	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CF3)(CH3)	F(CC[5]FF)	C(C[5]C[5]2C)(F)3	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CF3)(CH3){1|C<3>,1|H<1>}	F(CC[5]FF)	112.6993	2.606	3	112.4910	3.237	6	112.6014	1.879	21	112.6014	1.879	21	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:4:4:4:	4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(F)3	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CF3)(CH3)	F(CC[5]FF)	C(C[5]C[5]2C)(F)3	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CF3)(CH3){1|C<3>}	F(CC[5]FF)	112.2827	1.082	3	112.4910	3.237	6	112.6014	1.879	21	112.6014	1.879	21	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	4:4:4:4:	4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(F)3	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CF3)(CH3)	F(CC[5]FF)	C(C[5]C[5]2C)(F)3	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CF3)(CH3){1|C<4>,1|H<1>,3|C<3>}	F(CC[5]FF)	112.3827	1.506	6	112.3827	2.267	6	112.6014	1.879	21	112.6014	1.879	21	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:1:1:1:	5:3:4:4:	4:	C[5]-4:F-1:F-1:F-1:	C[3,3,6]-5:N[5]-3:C[5]-4:C-4:	C-4:	C(C[5]C[3,3,6]C[5]N[5])(F)3	C[5](C[3,3,6]O[3,3]O[3,6]O[3]O[6])(N[5]C[5,6]C[6a])(C[5]C[5,6]HH)(CF3)	F(CC[5]FF)	C(C[5]C[3,3,6]C[5]N[5])(F)3	C[5](C[3,3,6]O[3,3]O[3,6]O[3]O[6])(N[5]C[5,6]C[6a])(C[5]C[5,6]HH)(CF3){1|C<4>,2|C<2>,2|H<1>,3|C<3>}	F(CC[5]FF)	112.1747	1.697	6	112.1747	2.880	6	112.1747	2.880	6	112.1747	2.880	6	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:2:1:1:	4:2:4:2:	4:	C[5]-4:S-2:F-1:F-1:	C[5,5,6]-4:O[5]-2:C-4:O-2:	C-4:	C(C[5]C[5,5,6]O[5]O)(SC[6a])(F)2	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(CFFS)(OH)	F(CC[5]FS)	C(C[5]C[5,5,6]O[5]O)(SC[6a])(F)2	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(CFFS)(OH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	F(CC[5]FS)	109.5230	0.170	2	109.5230	0.029	2	109.5230	0.029	2	109.5230	0.029	2	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:3:1:1:	3:3:3:4:	4:	C[5]-4:C-3:F-1:F-1:	C[5,6a]-3:N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]N[5])(COO)(F)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N[5])(C[5]N[5]O)(CCFF)	F(CC[5]CF)	C(C[5]C[5,6a]C[5]N[5])(COO)(F)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N[5])(C[5]N[5]O)(CCFF){1|C<4>,3|C<3>,5|H<1>}	F(CC[5]CF)	110.8595	1.247	2	110.8595	1.554	2	110.8595	1.554	2	110.8595	1.554	2	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:3:1:1:	3:3:4:2:	4:	C[5]-4:N-3:F-1:F-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6a]C[5]O)(NOO)(F)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CFFN)(OC)	F(CC[5]FN)	C(C[5]C[5,6a]C[5]O)(NOO)(F)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CFFN)(OC){1|C<4>,1|H<1>,2|C<3>}	F(CC[5]FN)	110.7940	0.933	2	110.7940	0.871	2	110.7940	0.871	2	110.7940	0.871	2	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C[6a]-3:F-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(F)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CC[6a]FH)(H)	F(CC[6a]C[5]H)	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(F)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CC[6a]FH)(H){1|H<1>,2|C<3>}	F(CC[6a]C[5]H)	107.7860	0.000	1	107.7860	0.000	1	107.7860	0.000	1	107.7860	0.000	1	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:3:1:1:	3:4:4:2:	4:	C[5]-4:C-3:F-1:F-1:	C[5,6a]-3:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,6a]C[5]O)(COO)(F)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCFF)(OH)	F(CC[5]CF)	C(C[5]C[5,6a]C[5]O)(COO)(F)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCFF)(OH){2|C<3>,3|H<1>}	F(CC[5]CF)	110.1105	0.290	4	110.1105	0.084	4	110.1105	0.084	4	110.1105	0.084	4	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:3:1:1:	4:2:4:1:	4:	C[5]-4:C-3:F-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCH)(F)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CCFH)(H)	F(CC[5]CH)	C(C[5]C[5]O[5]H)(CCH)(F)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CCFH)(H){2|C<3>}	F(CC[5]CH)	108.0860	0.173	2	108.0860	0.030	2	108.7757	1.442	3	108.7757	1.442	3	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:3:1:1:	4:2:4:1:	4:	C[5]-4:C-3:F-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(COO)(F)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(CCFH)(H)	F(CC[5]CH)	C(C[5]C[5]O[5]H)(COO)(F)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(CCFH)(H){1|C<3>,2|C<4>}	F(CC[5]CH)	110.1550	0.000	1	110.1550	0.000	1	108.7757	1.442	3	108.7757	1.442	3	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C-3:F-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CNO)(F)(H)	C[5](C[5]C[6a]2O[5])(N[5]C[5]C)(CCFH)(H)	F(CC[5]CH)	C(C[5]C[5]N[5]H)(CNO)(F)(H)	C[5](C[5]C[6a]2O[5])(N[5]C[5]C)(CCFH)(H){1|O<1>,4|C<3>}	F(CC[5]CH)	109.9960	0.911	4	109.9960	0.830	4	109.9960	0.830	4	109.7266	0.986	5	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:F-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(F)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC[6a]FH)(H)	F(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(F)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC[6a]FH)(H){4|H<1>}	F(CC[6a]C[5]H)	108.6490	0.000	1	108.6490	0.000	1	108.6490	0.000	1	109.7266	0.986	5	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:3:3:1:	4:2:4:1:	4:	C[5]-4:N-3:N-3:F-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(NOO)2(F)	C[5](C[5]O[5]CH)(O[5]C[5])(CFNN)(H)	F(CC[5]NN)	C(C[5]C[5]O[5]H)(NOO)2(F)	C[5](C[5]O[5]CH)(O[5]C[5])(CFNN)(H){1|H<1>,1|O<2>}	F(CC[5]NN)	115.0425	0.504	2	115.0425	0.254	2	115.0425	0.254	2	115.0425	0.254	2	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:3:3:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:C[6a]-3:F-1:	C[5]-4:S[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)2(F)	C[5](C[5]C[5]HH)(S[5]C[5]O)(CC[6a]2F)(H)	F(CC[6a]2C[5])	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)2(F)	C[5](C[5]C[5]HH)(S[5]C[5]O)(CC[6a]2F)(H){4|H<1>}	F(CC[6a]2C[5])	105.3870	0.000	1	105.3870	0.000	1	105.3870	0.000	1	105.3870	0.000	1	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:3:3:1:	4:4:2:1:	4:	C[5]-4:C[6a]-3:C[6a]-3:F-1:	C[5]-4:C-4:S[5]-2:H-1:	C-4:	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)2(F)	C[5](C[5]C[5]HH)(CC[6a]2F)(S[5]C[5])(H)	F(CC[6a]2C[5])	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)2(F)	C[5](C[5]C[5]HH)(CC[6a]2F)(S[5]C[5])(H){4|H<1>}	F(CC[6a]2C[5])	106.8280	0.000	1	106.8280	0.000	1	106.8280	0.000	1	106.8280	0.000	1	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:3:3:1:	4:4:4:1:	4:	C[5]-4:C[6a]-3:C[6a]-3:F-1:	C[5]-4:N[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(F)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CC[6a]2F)(H)	F(CC[6a]2C[5])	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(F)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CC[6a]2F)(H){4|H<1>}	F(CC[6a]2C[5])	106.4290	0.000	1	106.4290	0.000	1	106.4290	0.000	1	106.5395	0.024	2	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:3:3:1:	4:4:4:1:	4:	C[5]-4:C[6a]-3:C[6a]-3:F-1:	C[5]-4:S[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)2(F)	C[5](C[5]C[5]HH)(S[5]C[5]OO)(CC[6a]2F)(H)	F(CC[6a]2C[5])	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)2(F)	C[5](C[5]C[5]HH)(S[5]C[5]OO)(CC[6a]2F)(H){4|H<1>}	F(CC[6a]2C[5])	106.6500	0.000	1	106.6500	0.000	1	106.6500	0.000	1	106.5395	0.024	2	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:3:4:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:C-4:F-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CH3)(F)	C[5](C[5]O[5]HH)(N[5]C[5]H)(CC[6a]CF)(H)	F(CC[6a]C[5]C)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CH3)(F)	C[5](C[5]O[5]HH)(N[5]C[5]H)(CC[6a]CF)(H){1|O<1>}	F(CC[6a]C[5]C)	106.4010	0.000	1	106.4010	0.000	1	106.4010	0.000	1	106.4010	0.000	1	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:3:4:1:	4:4:2:1:	4:	C[5]-4:C[6a]-3:C-4:F-1:	C[5]-4:C-4:N[5]-2:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CH3)(F)	C[5](C[5]N[5]HH)(CC[6a]CF)(N[5]C[5])(H)	F(CC[6a]C[5]C)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CH3)(F)	C[5](C[5]N[5]HH)(CC[6a]CF)(N[5]C[5])(H){2|C<3>}	F(CC[6a]C[5]C)	106.0005	0.035	2	106.0005	0.001	2	106.0005	0.001	2	106.0005	0.001	2	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:4:1:1:	3:2:4:2:	4:	C[5]-4:C-4:F-1:F-1:	C[5]-3:O[5]-2:C-4:O-2:	C-4:	C(C[5]C[5]O[5]O)(CCHH)(F)2	C[5](C[5]C[5]C)(O[5]C[5])(CCFF)(OH)	F(CC[5]CF)	C(C[5]C[5]O[5]O)(CCHH)(F)2	C[5](C[5]C[5]C)(O[5]C[5])(CCFF)(OH){1|O<2>,2|C<3>}	F(CC[5]CF)	106.5397	1.775	4	106.5397	3.149	4	106.5397	3.149	4	106.5397	3.149	4	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:4:1:1:	3:2:4:4:	4:	C[5]-4:C-4:F-1:F-1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6a]O[5]C)(CCFF)(F)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]As[5,5])(CCFF)2	F(CC[5]CF)	C(C[5]C[5,6a]O[5]C)(CCFF)(F)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]As[5,5])(CCFF)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	F(CC[5]CF)	108.6676	2.055	16	108.7033	3.986	27	109.3759	3.609	184	109.3134	3.643	190	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:4:1:1:	3:2:4:4:	4:	C[5]-4:C-4:F-1:F-1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6a]O[5]C)(CCFF)(F)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]As[5,5])(CCFF)2	F(CC[5]CF)	C(C[5]C[5,6a]O[5]C)(CCFF)(F)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]As[5,5])(CCFF)2{1|H<1>,1|I<1>,1|O<2>,3|C<3>}	F(CC[5]CF)	108.9785	2.249	4	108.7033	3.986	27	109.3759	3.609	184	109.3134	3.643	190	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:4:1:1:	3:2:4:4:	4:	C[5]-4:C-4:F-1:F-1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6a]O[5]C)(CCFF)(F)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]As[5,5])(CCFF)2	F(CC[5]CF)	C(C[5]C[5,6a]O[5]C)(CCFF)(F)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]As[5,5])(CCFF)2{1|H<1>,2|O<2>,3|C<3>}	F(CC[5]CF)	108.6274	2.033	7	108.7033	3.986	27	109.3759	3.609	184	109.3134	3.643	190	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:4:1:1:	3:2:4:4:	4:	C[5]-4:C-4:F-1:F-1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6a]O[5]C)(CCFF)(F)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5,5])(CCFF)2	F(CC[5]CF)	C(C[5]C[5,6a]O[5]C)(CCFF)(F)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5,5])(CCFF)2{1|C<1>,1|H<1>,1|O<2>,3|C<3>}	F(CC[5]CF)	109.1665	2.249	4	108.9491	3.831	12	109.3759	3.609	184	109.3134	3.643	190	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:4:1:1:	3:2:4:4:	4:	C[5]-4:C-4:F-1:F-1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6a]O[5]C)(CCFF)(F)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5,5])(CCFF)2	F(CC[5]CF)	C(C[5]C[5,6a]O[5]C)(CCFF)(F)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5,5])(CCFF)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	F(CC[5]CF)	108.8404	1.952	8	108.9491	3.831	12	109.3759	3.609	184	109.3134	3.643	190	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:4:1:1:	3:2:4:4:	4:	C[5]-4:C-4:F-1:F-1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	C[5](C[5,6a]C[5,5,6a]C[6a])(O[5]I[5,5])(CCFF)2	F(CC[5]CF)	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	C[5](C[5,6a]C[5,5,6a]C[6a])(O[5]I[5,5])(CCFF)2{1|H<1>,1|O<2>,2|C<3>}	F(CC[5]CF)	110.2929	2.324	8	110.2929	5.401	8	109.3759	3.609	184	109.3134	3.643	190	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:4:1:1:	3:2:4:4:	4:	C[5]-4:C-4:F-1:F-1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	C[5](C[5,6a]C[5,5,6a]C[6a])(O[5]S[5,5])(CCFF)2	F(CC[5]CF)	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	C[5](C[5,6a]C[5,5,6a]C[6a])(O[5]S[5,5])(CCFF)2{1|H<1>,1|O<2>,2|C<3>}	F(CC[5]CF)	111.1760	0.859	4	111.1760	0.738	4	109.3759	3.609	184	109.3134	3.643	190	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:4:1:1:	3:2:4:4:	4:	C[5]-4:C-4:F-1:F-1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	C[5](C[5,6a]C[5,5,6a]C[6a])(O[5]Se[5,5])(CCFF)2	F(CC[5]CF)	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	C[5](C[5,6a]C[5,5,6a]C[6a])(O[5]Se[5,5])(CCFF)2{1|H<1>,1|O<2>,2|C<3>}	F(CC[5]CF)	111.1481	0.475	7	111.1481	0.225	7	109.3759	3.609	184	109.3134	3.643	190	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:4:1:1:	3:2:4:4:	4:	C[5]-4:C-4:F-1:F-1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]As[5,5])(CCFF)2	F(CC[5]CF)	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]As[5,5])(CCFF)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	F(CC[5]CF)	109.6087	2.099	15	109.4558	4.751	23	109.3759	3.609	184	109.3134	3.643	190	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:4:1:1:	3:2:4:4:	4:	C[5]-4:C-4:F-1:F-1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]As[5,5])(CCFF)2	F(CC[5]CF)	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]As[5,5])(CCFF)2{1|H<1>,2|O<2>,3|C<3>}	F(CC[5]CF)	109.1693	2.445	8	109.4558	4.751	23	109.3759	3.609	184	109.3134	3.643	190	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:4:1:1:	3:2:4:4:	4:	C[5]-4:C-4:F-1:F-1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5,5])(CCFF)2	F(CC[5]CF)	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5,5])(CCFF)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	F(CC[5]CF)	109.0561	2.030	16	109.1435	3.270	87	109.3759	3.609	184	109.3134	3.643	190	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:4:1:1:	3:2:4:4:	4:	C[5]-4:C-4:F-1:F-1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5,5])(CCFF)2	F(CC[5]CF)	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5,5])(CCFF)2{1|H<1>,1|O<2>,4|C<3>}	F(CC[5]CF)	109.1632	1.770	71	109.1435	3.270	87	109.3759	3.609	184	109.3134	3.643	190	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:4:1:1:	3:2:4:4:	4:	C[5]-4:C-4:F-1:F-1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]S[5])(CCFF)2	F(CC[5]CF)	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]S[5])(CCFF)2{1|H<1>,2|C<3>}	F(CC[5]CF)	110.7770	0.751	8	110.7770	0.564	8	109.3759	3.609	184	109.3134	3.643	190	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:4:1:1:	3:2:4:4:	4:	C[5]-4:C-4:F-1:F-1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Se[5])(CCFF)2	F(CC[5]CF)	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Se[5])(CCFF)2{1|H<1>,2|C<3>}	F(CC[5]CF)	109.8157	0.884	8	109.8157	0.782	8	109.3759	3.609	184	109.3134	3.643	190	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:4:1:1:	3:2:4:4:	4:	C[5]-4:C-4:F-1:F-1:	N[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]N[5]O[5]C)(CC[6]HO)(F)2	C[5](N[5]C[5,6a]C)(O[5]C[5,6a])(CCFF)(CCHH)	F(CC[5]CF)	C(C[5]N[5]O[5]C)(CC[6]HO)(F)2	C[5](N[5]C[5,6a]C)(O[5]C[5,6a])(CCFF)(CCHH){2|C<3>}	F(CC[5]CF)	107.8505	0.814	4	107.8505	0.663	4	107.8505	0.663	4	109.3134	3.643	190	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:4:1:1:	3:2:4:4:	4:	C[5]-4:C-4:F-1:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(CH3)(F)(H)	C[5](C[5]N[5]O)(O[5]C[5])(CCFH)(CH3)	F(CC[5]CH)	C(C[5]C[5]O[5]C)(CH3)(F)(H)	C[5](C[5]N[5]O)(O[5]C[5])(CCFH)(CH3){1|C<3>,1|O<1>}	F(CC[5]CH)	106.4855	0.852	2	106.4855	0.726	2	106.4855	0.726	2	109.3134	3.643	190	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:4:1:1:	3:3:2:4:	4:	C[5]-4:S-4:F-1:F-1:	C[5,6a]-3:C[6a]-3:N[5]-2:C-4:	C-4:	C(C[5]C[5,6a]C[6a]N[5])(SC[6a]OO)(F)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5])(CFFS)	F(CC[5]FS)	C(C[5]C[5,6a]C[6a]N[5])(SC[6a]OO)(F)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5])(CFFS){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	F(CC[5]FS)	111.3010	1.123	2	111.3010	1.261	2	111.3010	1.261	2	111.3010	1.261	2	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C-4:F-1:F-1:	C[5,6a]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]N[5]H)(CF3)(F)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CCFF)(H)	F(CC[5]CF)	C(C[5]C[5,6a]N[5]H)(CF3)(F)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CCFF)(H){1|C<4>,2|C<3>,2|H<1>}	F(CC[5]CF)	110.1495	3.060	2	110.1495	9.361	2	110.1495	9.361	2	110.1495	9.361	2	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:F-1:F-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CBrFF)(F)2	C[5](C[5]O[5]HH)(O[5]C[5])(CCFF)(H)	F(CC[5]CF)	C(C[5]C[5]O[5]H)(CBrFF)(F)2	C[5](C[5]O[5]HH)(O[5]C[5])(CCFF)(H){1|C<3>,1|H<1>}	F(CC[5]CF)	109.7600	1.634	4	109.7600	2.671	4	109.7600	2.671	4	109.3075	2.293	8	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)2(F)2	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CC[5]FF)(H)	F(CC[5]2F)	C(C[5]C[5]O[5]H)2(F)2	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CC[5]FF)(H){2|C<3>,2|C<4>}	F(CC[5]2F)	109.1110	1.679	2	109.1110	2.818	2	108.8550	2.133	4	109.3075	2.293	8	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)2(F)2	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]FF)(H)	F(CC[5]2F)	C(C[5]C[5]O[5]H)2(F)2	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]FF)(H){2|C<4>}	F(CC[5]2F)	108.5990	1.822	2	108.5990	3.318	2	108.8550	2.133	4	109.3075	2.293	8	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:4:1:1:	4:2:4:2:	4:	C[5]-4:C-4:F-1:F-1:	C[5]-4:O[5]-2:C-4:O-2:	C-4:	C(C[5]C[5]O[5]O)(CF3)(F)2	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCFF)(OH)	F(CC[5]CF)	C(C[5]C[5]O[5]O)(CF3)(F)2	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCFF)(OH){1|C<4>,1|H<1>,2|O<2>}	F(CC[5]CF)	109.0895	0.927	2	109.0895	0.859	2	109.0895	0.859	2	109.0895	0.859	2	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:4:1:1:	4:3:4:1:	4:	C[5]-4:S-4:F-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(SC[5a]OO)(F)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CFHS)(H)	F(CC[5]HS)	C(C[5]C[5]N[5]H)(SC[5a]OO)(F)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CFHS)(H){4|H<1>}	F(CC[5]HS)	111.6830	0.000	1	111.6830	0.000	1	111.6830	0.000	1	111.6830	0.000	1	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:4:1:1:	4:3:4:3:	4:	C[5]-4:C-4:F-1:F-1:	C[5]-4:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]2C)(CCFF)(F)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCFF)(COO)	F(CC[5]CF)	C(C[5]C[5]2C)(CCFF)(F)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCFF)(COO){2|C<3>}	F(CC[5]CF)	109.1058	2.419	4	109.1058	5.853	4	109.1058	5.853	4	109.1058	5.853	4	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C-4:F-1:F-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CF3)(F)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH)(CCFF)	F(CC[5]CF)	C(C[5]C[5]2C)(CF3)(F)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH)(CCFF){1|C<4>,2|H<1>}	F(CC[5]CF)	110.5358	1.063	4	110.5358	1.129	4	110.5358	1.129	4	110.5358	1.129	4	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:F-1:F-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CF3)(F)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CCFF)(H)	F(CC[5]CF)	C(C[5]C[5]2H)(CF3)(F)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CCFF)(H){4|H<1>}	F(CC[5]CF)	111.3290	1.291	2	111.3290	1.667	2	111.3290	1.667	2	111.3290	1.667	2	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:4:3:1:	3:3:4:3:	4:	C[5]-4:S-4:N-3:F-1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C-4:	C(C[5]C[5,6a]C[5]N)(SC[6a]OO)(NOO)(F)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CFNS)(NCH)	F(CC[5]NS)	C(C[5]C[5,6a]C[5]N)(SC[6a]OO)(NOO)(F)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CFNS)(NCH){1|C<4>,1|H<1>,2|C<3>}	F(CC[5]NS)	108.8260	0.000	1	108.8260	0.000	1	108.8260	0.000	1	108.8260	0.000	1	111.4089	3.470	1171	111.4550	2.832	1748
490	474	830	0:SP3_SP-NON_SP3	C	C[5]	F	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:F-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CH3)2(F)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(CCCF)(H)	F(CC[5]CC)	C(C[5]C[5,5]C[5]H)(CH3)2(F)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(CCCF)(H){1|C<3>,1|N<2>,3|H<1>}	F(CC[5]CC)	105.8665	0.822	2	105.8665	0.676	2	105.8665	0.676	2	105.8665	0.676	2	111.4089	3.470	1171	111.4550	2.832	1748
490	474	854	0:SP3_SP3_SP3	C	C[5]	N[6]	4:4:1:1:	4:2:4:1:	4:4:4:1:	C[5]-4:N[6]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C(C[5]C[5]O[5]H)(N[6]C[6]2H)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(CN[6]HH)(H)	N[6](C[6]C[6]HH)2(CC[5]HH)(H)	C(C[5]C[5]O[5]H)(N[6]C[6]2H)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(CN[6]HH)(H){1|N<2>,1|O<1>}	N[6](C[6]C[6]HH)2(CC[5]HH)(H){1|O<2>,4|H<1>}	113.6650	0.636	2	113.6650	0.405	2	113.6650	0.405	2	113.6650	0.405	2	113.4600	2.752	4	113.4600	2.752	4
490	474	854	0:SP3_SP3_SP3	C	C[5]	N[6]	4:4:1:1:	4:3:4:1:	4:4:4:1:	C[5]-4:N[6]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C(C[5]C[5]2H)(N[6]C[6]2H)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CN[6]HH)(H)	N[6](C[6]C[6]HH)2(CC[5]HH)(H)	C(C[5]C[5]2H)(N[6]C[6]2H)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CN[6]HH)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]HH)2(CC[5]HH)(H){1|N<3>,4|H<1>}	111.2950	0.000	1	111.2950	0.000	1	111.2950	0.000	1	111.2950	0.000	1	113.4600	2.752	4	113.4600	2.752	4
490	474	854	0:SP3_SP3_SP3	C	C[5]	N[6]	4:4:1:1:	4:4:4:1:	4:4:4:1:	C[5]-4:N[6]-4:H-1:H-1:	B[5]-4:C[5]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C(C[5]B[5]C[5]H)(N[6]C[6]2H)(H)2	C[5](B[5]C[6a]2O[5])(C[5]C[5]HH)(CN[6]HH)(H)	N[6](C[6]C[6]CC)2(CC[5]HH)(H)	C(C[5]B[5]C[5]H)(N[6]C[6]2H)(H)2	C[5](B[5]C[6a]2O[5])(C[5]C[5]HH)(CN[6]HH)(H){2|C<4>,4|C<3>}	N[6](C[6]C[6]CC)2(CC[5]HH)(H){1|C<4>,4|H<1>}	115.2150	0.000	1	115.2150	0.000	1	115.2150	0.000	1	115.2150	0.000	1	113.4600	2.752	4	113.4600	2.752	4
490	474	856	0:SP3_SP2_SP3	C	C[5]	N[6]	3:4:1:1:	4:2:4:1:	3:3:4:	N[6]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[6,6a]-3:C[6]-3:C-4:	C(N[6]C[6,6a]C[6])(C[5]C[5]O[5]H)(H)2	C[5](C[5]C[5]HH)(O[5]N[5])(CN[6]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[5]HH)	C(N[6]C[6,6a]C[6])(C[5]C[5]O[5]H)(H)2	C[5](C[5]C[5]HH)(O[5]N[5])(CN[6]HH)(H){1|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[5]HH){1|S<2>,2|C<3>,3|H<1>}	113.4490	0.000	1	113.4490	0.000	1	113.4490	0.000	1	113.4490	0.000	1	113.0193	3.896	9	113.0193	3.896	9
490	474	856	0:SP3_SP2_SP3	C	C[5]	N[6]	4:3:1:1:	4:2:4:1:	3:3:4:	C[5]-4:N[6]-3:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C(C[5]C[5,5]O[5]H)(N[6]C[6]2)(H)2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CN[6]HH)(H)	N[6](C[6]C[6]H)2(CC[5]HH)	C(C[5]C[5,5]O[5]H)(N[6]C[6]2)(H)2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CN[6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	N[6](C[6]C[6]H)2(CC[5]HH){1|C<3>,2|H<1>}	109.8620	0.000	1	109.8620	0.000	1	109.8620	0.000	1	111.3963	3.478	3	113.0193	3.896	9	113.0193	3.896	9
490	474	856	0:SP3_SP2_SP3	C	C[5]	N[6]	4:3:1:1:	4:2:4:1:	3:3:4:	C[5]-4:N[6]-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5a,6]-3:C[5a,6]-3:C-4:	C(C[5]C[5]O[5]H)(N[6]C[5a,6]2)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CN[6]HH)(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[5a,6]N[5a,6]N[5a])(CC[5]HH)	C(C[5]C[5]O[5]H)(N[6]C[5a,6]2)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CN[6]HH)(H){1|N<3>,1|O<2>,2|H<1>}	N[6](C[5a,6]C[5a,6]N[5a])(C[5a,6]N[5a,6]N[5a])(CC[5]HH){1|C<4>,1|N<2>,4|C<3>}	113.4720	0.000	1	113.4720	0.000	1	113.4720	0.000	1	111.3963	3.478	3	113.0193	3.896	9	113.0193	3.896	9
490	474	856	0:SP3_SP2_SP3	C	C[5]	N[6]	4:3:1:1:	4:2:4:1:	3:3:4:	C[5]-4:N[6]-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C(C[5]C[5]O[5]H)(N[6]C[6]2)(H)2	C[5](C[5]O[5]HH)(O[5]C[5,6])(CN[6]HH)(H)	N[6](C[6]C[6]H)2(CC[5]HH)	C(C[5]C[5]O[5]H)(N[6]C[6]2)(H)2	C[5](C[5]O[5]HH)(O[5]C[5,6])(CN[6]HH)(H){2|C<3>}	N[6](C[6]C[6]H)2(CC[5]HH){1|C<3>,2|H<1>}	110.8550	0.000	1	110.8550	0.000	1	110.8550	0.000	1	111.3963	3.478	3	113.0193	3.896	9	113.0193	3.896	9
490	474	856	0:SP3_SP2_SP3	C	C[5]	N[6]	4:3:1:1:	4:4:4:1:	3:3:4:	C[5]-4:N[6]-3:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C(C[5]C[5]N[5]H)(N[6]C[6]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CN[6]HH)(H)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CC[5]HH)	C(C[5]C[5]N[5]H)(N[6]C[6]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CN[6]HH)(H){4|H<1>}	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CC[5]HH){1|H<1>,2|C<3>}	111.4300	0.000	1	111.4300	0.000	1	112.9250	2.068	3	112.9250	2.068	3	113.0193	3.896	9	113.0193	3.896	9
490	474	856	0:SP3_SP2_SP3	C	C[5]	N[6]	4:3:1:1:	4:4:4:1:	3:3:4:	C[5]-4:N[6]-3:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C(C[5]C[5]N[5]H)(N[6]C[6]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CN[6]HH)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[5]HH)	C(C[5]C[5]N[5]H)(N[6]C[6]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CN[6]HH)(H){4|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[5]HH){1|C<3>,2|H<1>}	113.0470	0.000	1	113.0470	0.000	1	112.9250	2.068	3	112.9250	2.068	3	113.0193	3.896	9	113.0193	3.896	9
490	474	856	0:SP3_SP2_SP3	C	C[5]	N[6]	4:3:1:1:	4:4:4:1:	3:3:4:	C[5]-4:N[6]-3:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C(C[5]C[5]N[5]H)(N[6]C[6]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CN[6]HH)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(CC[5]HH)	C(C[5]C[5]N[5]H)(N[6]C[6]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CN[6]HH)(H){4|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(CC[5]HH){1|C<3>,2|H<1>}	114.2980	0.000	1	114.2980	0.000	1	112.9250	2.068	3	112.9250	2.068	3	113.0193	3.896	9	113.0193	3.896	9
490	474	856	0:SP3_SP2_SP3	C	C[5]	N[6]	4:3:3:1:	3:3:3:4:	3:3:4:	C[5]-4:N[6]-3:C-3:H-1:	C[5,6a]-3:C[5]-3:C[5]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[5]C[5,6a]C[5]2)(N[6]C[6]2)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]O)(CN[6]CH)	N[6](C[6]C[6]H)2(CC[5]CH)	C(C[5]C[5,6a]C[5]2)(N[6]C[6]2)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]O)(CN[6]CH){2|H<1>,2|O<1>,4|C<3>}	N[6](C[6]C[6]H)2(CC[5]CH){1|C<3>,2|H<1>}	114.7430	0.000	1	114.7430	0.000	1	114.7430	0.000	1	114.7430	0.000	1	113.0193	3.896	9	113.0193	3.896	9
490	474	856	0:SP3_SP2_SP3	C	C[5]	N[6]	4:3:3:1:	3:4:3:3:	4:3:3:	C[5]-4:C[6a]-3:N[6]-3:H-1:	C[5,6a]-3:C-4:C[5]-3:C[5]-3:	C-4:C[6]-3:C[6]-3:	C(C[5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]N[6]H)(C[5]C[5]2)(C[5]N[5]O)	N[6](CC[6a]C[5]H)(C[6]C[6]H)2	C(C[5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]N[6]H)(C[5]C[5]2)(C[5]N[5]O){2|H<1>,2|O<1>,4|C<3>}	N[6](CC[6a]C[5]H)(C[6]C[6]H)2{1|C<3>,2|H<1>}	116.0180	0.000	1	116.0180	0.000	1	116.0180	0.000	1	116.0180	0.000	1	113.0193	3.896	9	113.0193	3.896	9
490	474	856	0:SP3_SP3_SP3	C	C[5,6,6]	N[6]	4:3:1:1:	4:4:4:4:	4:4:4:	C[5,6,6]-4:N[6]-3:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[5,6]-4:C-4:	C-4:C[6]-4:C[6]-4:	C(C[5,6,6]C[5,6,6]C[5,6]2)(N[6]C[6]2)(H)2	C[5,6,6](C[5,6,6]C[5,6]2C)(C[5,6]C[6]N[5]H)(C[5,6]C[5,6]CC)(CN[6]HH)	N[6](CC[5,6,6]HH)(C[6]C[6]HH)2	C(C[5,6,6]C[5,6,6]C[5,6]2)(N[6]C[6]2)(H)2	C[5,6,6](C[5,6,6]C[5,6]2C)(C[5,6]C[6]N[5]H)(C[5,6]C[5,6]CC)(CN[6]HH){1|N<3>,4|H<1>,5|C<4>}	N[6](CC[5,6,6]HH)(C[6]C[6]HH)2{1|O<2>,4|H<1>}	117.5875	0.922	4	117.5875	0.850	4	117.5875	0.850	4	117.5875	0.850	4	117.5875	0.850	4	113.9060	4.066	23
490	474	856	0:SP3_SP3_SP3	C	C[5]	N[6]	4:3:1:1:	4:2:4:1:	4:4:4:	C[5]-4:N[6]-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C(C[5]C[5]O[5]H)(N[6]C[6]2)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CN[6]HH)(H)	N[6](C[6]N[6]HH)2(CC[5]HH)	C(C[5]C[5]O[5]H)(N[6]C[6]2)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CN[6]HH)(H){4|H<1>}	N[6](C[6]N[6]HH)2(CC[5]HH){1|C<3>,1|C<4>,1|H<1>}	111.5950	0.000	1	111.5950	0.000	1	112.7223	1.682	3	112.7223	1.682	3	113.1309	1.182	19	113.9060	4.066	23
490	474	856	0:SP3_SP3_SP3	C	C[5]	N[6]	4:3:1:1:	4:2:4:1:	4:4:4:	C[5]-4:N[6]-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C(C[5]C[5]O[5]H)(N[6]C[6]2)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(CN[6]HH)(H)	N[6](C[6]C[6]HH)2(CC[5]HH)	C(C[5]C[5]O[5]H)(N[6]C[6]2)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(CN[6]HH)(H){1|N<2>,1|O<1>}	N[6](C[6]C[6]HH)2(CC[5]HH){1|O<2>,4|H<1>}	113.2860	1.208	2	113.2860	1.459	2	112.7223	1.682	3	112.7223	1.682	3	113.1309	1.182	19	113.9060	4.066	23
490	474	856	0:SP3_SP3_SP3	C	C[5]	N[6]	4:3:1:1:	4:3:4:1:	4:4:4:	C[5]-4:N[6]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C(C[5]C[5]2H)(N[6]C[6]2)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CN[6]HH)(H)	N[6](C[6]C[6]HH)2(CC[5]HH)	C(C[5]C[5]2H)(N[6]C[6]2)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CN[6]HH)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]HH)2(CC[5]HH){1|N<3>,4|H<1>}	111.6410	0.000	1	113.2075	1.154	16	113.2075	1.154	16	113.2075	1.154	16	113.1309	1.182	19	113.9060	4.066	23
490	474	856	0:SP3_SP3_SP3	C	C[5]	N[6]	4:3:1:1:	4:3:4:1:	4:4:4:	C[5]-4:N[6]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C(C[5]C[5]2H)(N[6]C[6]2)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CN[6]HH)(H)	N[6](C[6]C[6]HH)2(CC[5]HH)	C(C[5]C[5]2H)(N[6]C[6]2)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CN[6]HH)(H){1|C<4>,1|H<1>}	N[6](C[6]C[6]HH)2(CC[5]HH){1|C<4>,4|H<1>}	113.6523	0.515	3	113.2075	1.154	16	113.2075	1.154	16	113.2075	1.154	16	113.1309	1.182	19	113.9060	4.066	23
490	474	856	0:SP3_SP3_SP3	C	C[5]	N[6]	4:3:1:1:	4:3:4:1:	4:4:4:	C[5]-4:N[6]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C(C[5]C[5]2H)(N[6]C[6]2)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CN[6]HH)(H)	N[6](C[6]C[6]HH)2(CC[5]HH)	C(C[5]C[5]2H)(N[6]C[6]2)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CN[6]HH)(H){1|C<4>,1|H<1>}	N[6](C[6]C[6]HH)2(CC[5]HH){1|N<3>,4|H<1>}	113.1471	1.284	9	113.2075	1.154	16	113.2075	1.154	16	113.2075	1.154	16	113.1309	1.182	19	113.9060	4.066	23
490	474	856	0:SP3_SP3_SP3	C	C[5]	N[6]	4:3:1:1:	4:3:4:1:	4:4:4:	C[5]-4:N[6]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C(C[5]C[5]2H)(N[6]C[6]2)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CN[6]HH)(H)	N[6](C[6]C[6]HH)2(CC[5]HH)	C(C[5]C[5]2H)(N[6]C[6]2)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CN[6]HH)(H){1|C<4>,1|H<1>}	N[6](C[6]C[6]HH)2(CC[5]HH){1|O<2>,4|H<1>}	113.2395	0.004	2	113.2075	1.154	16	113.2075	1.154	16	113.2075	1.154	16	113.1309	1.182	19	113.9060	4.066	23
490	474	856	0:SP3_SP3_SP3	C	C[5]	N[6]	4:3:1:1:	4:3:4:1:	4:4:4:	C[5]-4:N[6]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C(C[5]C[5]2H)(N[6]C[6]2)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CN[6]HH)(H)	N[6](C[6]C[6]HH)2(CC[5]HH)	C(C[5]C[5]2H)(N[6]C[6]2)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CN[6]HH)(H){1|C<4>,1|H<1>}	N[6](C[6]C[6]HH)2(CC[5]HH){1|S<2>,4|H<1>}	113.9190	0.000	1	113.2075	1.154	16	113.2075	1.154	16	113.2075	1.154	16	113.1309	1.182	19	113.9060	4.066	23
490	474	863	0:SP3_SP2_SP3	C	C[5,6]	O	4:1:1:1:	4:4:2:4:	4:	C[5,6]-4:H-1:H-1:O-1:	C[5,6,6]-4:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6,6]C[6]O[5])(H)2(O)	C[5,6](C[5,6,6]O[5,6]O[6,6]C)(C[6]O[6]CH)(O[5]C[5,6])(CHHO)	O(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[6]O[5])(H)2(O)	C[5,6](C[5,6,6]O[5,6]O[6,6]C)(C[6]O[6]CH)(O[5]C[5,6])(CHHO){3|C<4>}	O(CC[5,6]HH)	108.4450	0.000	1	108.4450	0.000	1	108.4450	0.000	1	108.4450	0.000	1	108.4450	0.000	1	109.3448	15.486	23
490	474	863	0:SP3_SP2_SP3	C	C[5]	O	4:1:1:1:	2:2:4:1:	4:	C[5]-4:H-1:H-1:O-1:	O[5]-2:S[5]-2:C-4:H-1:	C-4:	C(C[5]O[5]S[5]H)(H)2(O)	C[5](O[5]C[5])(S[5]C[5])(CHHO)(H)	O(CC[5]HH)	C(C[5]O[5]S[5]H)(H)2(O)	C[5](O[5]C[5])(S[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	O(CC[5]HH)	112.3080	0.000	1	112.3080	0.000	1	112.3080	0.000	1	112.3080	0.000	1	109.3857	16.183	22	109.3448	15.486	23
490	474	863	0:SP3_SP2_SP3	C	C[5]	O	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:O-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)2(O)	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(CHHO)(CH3)	O(CC[5]HH)	C(C[5]C[5]O[5]C)(H)2(O)	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(CHHO)(CH3){2|C<3>}	O(CC[5]HH)	112.4185	0.829	2	112.4185	0.688	2	112.4185	0.688	2	112.4185	0.688	2	109.3857	16.183	22	109.3448	15.486	23
490	474	863	0:SP3_SP2_SP3	C	C[5]	O	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:O-1:	N[5,6]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]N[5,6]C[5]H)(H)2(O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(CHHO)(H)	O(CC[5]HH)	C(C[5]N[5,6]C[5]H)(H)2(O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(CHHO)(H){1|O<1>,3|C<4>,3|H<1>}	O(CC[5]HH)	111.6602	1.444	4	111.6602	2.084	4	111.6602	2.084	4	111.6602	2.084	4	109.3857	16.183	22	109.3448	15.486	23
490	474	863	0:SP3_SP2_SP3	C	C[5]	O	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:O-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)2(O)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)	C(C[5]C[5]O[5]H)(H)2(O)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	O(CC[5]HH)	112.3395	1.227	2	108.8668	35.758	7	108.8668	35.758	7	108.8668	35.758	7	109.3857	16.183	22	109.3448	15.486	23
490	474	863	0:SP3_SP2_SP3	C	C[5]	O	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:O-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)2(O)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)	C(C[5]C[5]O[5]H)(H)2(O)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<1>,2|H<1>}	O(CC[5]HH)	97.3489	0.000	1	108.8668	35.758	7	108.8668	35.758	7	108.8668	35.758	7	109.3857	16.183	22	109.3448	15.486	23
490	474	863	0:SP3_SP2_SP3	C	C[5]	O	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:O-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)2(O)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)	C(C[5]C[5]O[5]H)(H)2(O)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	O(CC[5]HH)	110.0100	4.125	4	108.8668	35.758	7	108.8668	35.758	7	108.8668	35.758	7	109.3857	16.183	22	109.3448	15.486	23
490	474	863	0:SP3_SP2_SP3	C	C[5]	O	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:O-1:	C[5]-4:N[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)2(O)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CHHO)(H)	O(CC[5]HH)	C(C[5]C[5]N[5]H)(H)2(O)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CHHO)(H){1|C<3>,3|H<1>}	O(CC[5]HH)	109.0220	0.000	1	109.0220	0.000	1	109.0220	0.000	1	109.0220	0.000	1	109.3857	16.183	22	109.3448	15.486	23
490	474	863	0:SP3_SP2_SP3	C	C[5]	O	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:O-1:	N[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)2(O)	C[5](N[5]C[5]NiH)(C[5]O[5]HH)(CHHO)2	O(CC[5]HH)	C(C[5]C[5]N[5]C)(H)2(O)	C[5](N[5]C[5]NiH)(C[5]O[5]HH)(CHHO)2{1|C<3>,1|H<1>}	O(CC[5]HH)	111.1000	0.000	1	111.1000	0.000	1	111.1000	0.000	1	111.1000	0.000	1	109.3857	16.183	22	109.3448	15.486	23
490	474	863	0:SP3_SP2_SP3	C	C[5]	O	4:3:3:1:	4:4:2:1:	4:	C[5]-4:C[6a]-3:C[6a]-3:O-1:	C[5]-4:C-4:O[5]-2:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(O)	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]C[5])(H)	O(CC[6a]2C[5])	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(O)	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]C[5])(H){2|C<4>}	O(CC[6a]2C[5])	107.6895	1.552	2	107.6895	2.409	2	107.6895	2.409	2	107.6895	2.409	2	109.3857	16.183	22	109.3448	15.486	23
490	474	863	0:SP3_SP2_SP3	C	C[5]	O	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:O-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CBrCF)(H)(O)	C[5](C[5]O[5]HH)(O[5]C[5,6])(CCHO)(H)	O(CC[5]CH)	C(C[5]C[5]O[5]H)(CBrCF)(H)(O)	C[5](C[5]O[5]HH)(O[5]C[5,6])(CCHO)(H){2|C<4>}	O(CC[5]CH)	106.4160	0.000	1	106.4160	0.000	1	104.8450	4.936	2	104.8450	4.936	2	109.3857	16.183	22	109.3448	15.486	23
490	474	863	0:SP3_SP2_SP3	C	C[5]	O	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:O-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(H)(O)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)	C(C[5]C[5]O[5]H)(CCHH)(H)(O)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,1|O<2>,2|H<1>}	O(CC[5]CH)	103.2740	0.000	1	103.2740	0.000	1	104.8450	4.936	2	104.8450	4.936	2	109.3857	16.183	22	109.3448	15.486	23
490	474	863	0:SP3_SP2_SP3	C	C[5]	O	4:4:4:1:	4:2:4:1:	4:	C[5]-4:C-4:C-4:O-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCFF)2(O)	C[5](C[5]O[5]CH)(O[5]C[5])(CCCO)(H)	O(CC[5]CC)	C(C[5]C[5]O[5]H)(CCFF)2(O)	C[5](C[5]O[5]CH)(O[5]C[5])(CCCO)(H){2|C<4>}	O(CC[5]CC)	109.4350	0.000	1	109.4350	0.000	1	107.7205	5.879	2	107.7205	5.879	2	109.3857	16.183	22	109.3448	15.486	23
490	474	863	0:SP3_SP2_SP3	C	C[5]	O	4:4:4:1:	4:2:4:1:	4:	C[5]-4:C-4:C-4:O-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CH3)2(O)	C[5](C[5]C[5]HH)(O[5]C[5,6])(CCCO)(H)	O(CC[5]CC)	C(C[5]C[5]O[5]H)(CH3)2(O)	C[5](C[5]C[5]HH)(O[5]C[5,6])(CCCO)(H){1|C<4>,1|H<1>,2|C<3>}	O(CC[5]CC)	106.0060	0.000	1	106.0060	0.000	1	107.7205	5.879	2	107.7205	5.879	2	109.3857	16.183	22	109.3448	15.486	23
490	474	880	0:SP3_SP3_SP3	C	C[5,6,6]	Si	4:4:1:1:	3:3:3:4:	4:3:4:4:	C[5,6,6]-4:Si-4:H-1:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C-4:C[6a]-3:C-4:C-4:	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(SiC[6a]CC)(H)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CSiHH)	Si(CC[5,6,6]HH)(C[6a]C[6a]2)(CH3)2	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(SiC[6a]CC)(H)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CSiHH){1|H<1>,2|C<4>,6|C<3>}	Si(CC[5,6,6]HH)(C[6a]C[6a]2)(CH3)2	123.5070	1.165	2	122.8882	1.070	4	122.8882	1.070	4	122.8882	1.070	4	122.9554	0.670	7	121.5320	14.047	21
490	474	880	0:SP3_SP3_SP3	C	C[5,6,6]	Si	4:4:1:1:	3:3:3:4:	4:3:4:4:	C[5,6,6]-4:Si-4:H-1:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C-4:C[6a]-3:C-4:C-4:	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(SiC[6a]CC)(H)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CSiHH)	Si(CC[5,6,6]HH)(C[6a]C[6a]2)(CH3)2	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(SiC[6a]CC)(H)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CSiHH){3|C<4>,5|C<3>}	Si(CC[5,6,6]HH)(C[6a]C[6a]2)(CH3)2	122.2695	0.565	2	122.8882	1.070	4	122.8882	1.070	4	122.8882	1.070	4	122.9554	0.670	7	121.5320	14.047	21
490	474	880	0:SP3_SP3_SP3	C	C[5,6,6]	Si	4:4:1:1:	3:3:4:4:	4:3:4:4:	C[5,6,6]-4:Si-4:H-1:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C-4:C[6a]-3:C-4:C-4:	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(SiC[6a]CC)(H)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2H)(CSiHH)	Si(CC[5,6,6]HH)(C[6a]C[6a]2)(CH3)2	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(SiC[6a]CC)(H)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2H)(CSiHH){2|C<4>,6|C<3>}	Si(CC[5,6,6]HH)(C[6a]C[6a]2)(CH3)2	123.0080	0.000	1	123.0080	0.000	1	123.0080	0.000	1	123.0080	0.000	1	122.9554	0.670	7	121.5320	14.047	21
490	474	880	0:SP3_SP3_SP3	C	C[5,6,6]	Si	4:4:1:1:	3:3:4:4:	4:4:4:2:	C[5,6,6]-4:Si-4:H-1:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C-4:C-4:C-4:O-2:	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(SiCCO)(H)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C[6a])(CSiHH)	Si(CC[5,6,6]HH)(CH3)2(OC)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(SiCCO)(H)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C[6a])(CSiHH){10|C<3>}	Si(CC[5,6,6]HH)(CH3)2(OC)	123.6840	0.000	1	123.6840	0.000	1	123.0635	0.770	2	123.0635	0.770	2	122.9554	0.670	7	121.5320	14.047	21
490	474	880	0:SP3_SP3_SP3	C	C[5,6,6]	Si	4:4:1:1:	3:3:4:4:	4:4:4:2:	C[5,6,6]-4:Si-4:H-1:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C-4:C-4:C-4:O-2:	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(SiCCO)(H)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2H)(CSiHH)	Si(CC[5,6,6]HH)(CH3)2(OC)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(SiCCO)(H)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2H)(CSiHH){8|C<3>}	Si(CC[5,6,6]HH)(CH3)2(OC)	122.4430	0.000	1	122.4430	0.000	1	123.0635	0.770	2	123.0635	0.770	2	122.9554	0.670	7	121.5320	14.047	21
490	474	880	0:SP3_SP3_SP3	C	C[5,6]	Si	4:4:1:1:	3:3:3:4:	3:4:4:4:	C[5,6]-4:Si-4:H-1:H-1:	C[5,6,6a]-3:C[5,6a]-3:C[6]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	C(C[5,6]C[5,6,6a]C[5,6a]C[6])(SiC[6a]CC)(H)2	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6]C[6,6a]O)(CSiHH)	Si(C[6a]C[6a]2)(CC[5,6]HH)(CH3)2	C(C[5,6]C[5,6,6a]C[5,6a]C[6])(SiC[6a]CC)(H)2	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6]C[6,6a]O)(CSiHH){1|C<4>,6|C<3>}	Si(C[6a]C[6a]2)(CC[5,6]HH)(CH3)2	121.4600	0.000	1	121.4600	0.000	1	122.6910	3.031	2	122.6910	3.031	2	122.6910	3.031	2	121.5320	14.047	21
490	474	880	0:SP3_SP3_SP3	C	C[5,6]	Si	4:4:1:1:	3:3:3:4:	3:4:4:4:	C[5,6]-4:Si-4:H-1:H-1:	C[5,6,6a]-3:C[5,6a]-3:C[6]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	C(C[5,6]C[5,6,6a]C[5,6a]C[6])(SiC[6a]CC)(H)2	C[5,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6]C[6,6a]O)(CSiHH)	Si(C[6a]C[6a]2)(CC[5,6]HH)(CH3)2	C(C[5,6]C[5,6,6a]C[5,6a]C[6])(SiC[6a]CC)(H)2	C[5,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6]C[6,6a]O)(CSiHH){1|C<4>,6|C<3>}	Si(C[6a]C[6a]2)(CC[5,6]HH)(CH3)2	123.9220	0.000	1	123.9220	0.000	1	122.6910	3.031	2	122.6910	3.031	2	122.6910	3.031	2	121.5320	14.047	21
490	474	880	0:SP3_SP3_SP3	C	C[5]	Si	4:4:1:1:	3:3:3:4:	4:4:4:4:	C[5]-4:Si-4:H-1:H-1:	C[5,6a]-3:C[5]-3:N-3:C-4:	C-4:C-4:C-4:C-4:	C(C[5]C[5,6a]C[5]N)(SiC3)(H)2	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]H)(CSiHH)	Si(CC[5]HH)(CH3)3	C(C[5]C[5,6a]C[5]N)(SiC3)(H)2	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]H)(CSiHH){1|H<1>,3|C<3>}	Si(CC[5]HH)(CH3)3	123.7860	1.386	6	123.7860	1.921	6	123.7860	1.921	6	123.7860	1.921	6	120.5084	22.223	12	121.5320	14.047	21
490	474	880	0:SP3_SP3_SP3	C	C[5]	Si	4:4:1:1:	3:4:4:1:	4:1:1:1:	C[5]-4:Si-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C(C[5]C[5,6a]C[5]H)(SiCl3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SiH)(CSiHH)(H)	Si(CC[5]HH)(Cl)3	C(C[5]C[5,6a]C[5]H)(SiCl3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SiH)(CSiHH)(H){1|Cl<1>,1|H<1>,3|C<3>}	Si(CC[5]HH)(Cl)3	116.9420	0.000	1	116.9420	0.000	1	116.9420	0.000	1	116.9420	0.000	1	120.5084	22.223	12	121.5320	14.047	21
490	474	880	0:SP3_SP3_SP3	C	C[5]	Si	4:4:1:1:	4:3:3:4:	4:4:4:4:	C[5]-4:Si-4:H-1:H-1:	C[5]-4:C[5]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[5]C[6a]C[5]2)(SiC3)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(C[6a]C[6a]2)(CSiHH)	Si(CC[5]HH)(CH3)3	C(C[5]C[6a]C[5]2)(SiC3)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(C[6a]C[6a]2)(CSiHH){1|Si<4>,1|H<1>,2|C<4>,3|C<3>}	Si(CC[5]HH)(CH3)3	124.2590	0.000	1	124.2590	0.000	1	124.2590	0.000	1	124.2590	0.000	1	120.5084	22.223	12	121.5320	14.047	21
490	474	880	0:SP3_SP3_SP3	C	C[5]	Si	4:4:1:1:	4:3:4:1:	3:4:4:4:	C[5]-4:Si-4:H-1:H-1:	C[5,5]-4:N[5,5]-3:C-4:H-1:	C[6a]-3:C-4:C-4:C-4:	C(C[5]C[5,5]N[5,5]H)(SiC[6a]CC)(H)2	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5])(CSiHH)(H)	Si(C[6a]C[6a]2)(CC[5]HH)(CH3)2	C(C[5]C[5,5]N[5,5]H)(SiC[6a]CC)(H)2	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5])(CSiHH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	Si(C[6a]C[6a]2)(CC[5]HH)(CH3)2	116.8460	0.000	1	116.8460	0.000	1	116.8460	0.000	1	116.8460	0.000	1	120.5084	22.223	12	121.5320	14.047	21
490	474	880	0:SP3_SP3_SP3	C	C[5]	Si	4:4:1:1:	4:3:4:1:	4:4:4:4:	C[5]-4:Si-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:C-4:C-4:C-4:	C(C[5]C[5]2H)(SiC3)(H)2	C[5](C[5]S[5]HH)(C[5]C[5]C)(CSiHH)(H)	Si(CC[5]HH)(CH3)3	C(C[5]C[5]2H)(SiC3)(H)2	C[5](C[5]S[5]HH)(C[5]C[5]C)(CSiHH)(H){1|C<3>}	Si(CC[5]HH)(CH3)3	118.5870	0.000	1	118.5870	0.000	1	118.5870	0.000	1	118.5870	0.000	1	120.5084	22.223	12	121.5320	14.047	21
490	474	880	0:SP3_SP3_SP3	C	C[5]	Si	4:4:1:1:	4:4:4:1:	3:4:4:4:	C[5]-4:Si-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[6a]-3:C-4:C-4:C-4:	C(C[5]C[5,6]C[5]H)(SiC[6a]CC)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CH)(CSiHH)(H)	Si(C[6a]C[6a]2)(CC[5]HH)(CH3)2	C(C[5]C[5,6]C[5]H)(SiC[6a]CC)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CH)(CSiHH)(H){1|C<4>,1|O<2>,3|H<1>}	Si(C[6a]C[6a]2)(CC[5]HH)(CH3)2	116.8930	0.000	1	116.8930	0.000	1	116.8930	0.000	1	116.8930	0.000	1	120.5084	22.223	12	121.5320	14.047	21
490	474	880	0:SP3_SP3_SP3	C	C[5]	Si	4:4:4:1:	4:4:4:1:	3:4:4:4:	C[5]-4:Si-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:C-4:C-4:C-4:	C(C[5]C[5]2H)(SiC[6a]CC)(CCHH)(H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(CSiCH)(H)	Si(C[6a]C[6a]2)(CC[5]CH)(CH3)2	C(C[5]C[5]2H)(SiC[6a]CC)(CCHH)(H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(CSiCH)(H){1|H<1>,3|C<4>}	Si(C[6a]C[6a]2)(CC[5]CH)(CH3)2	109.8580	0.000	1	109.8580	0.000	1	109.8580	0.000	1	109.8580	0.000	1	120.5084	22.223	12	121.5320	14.047	21
490	474	887	0:SP3_SP3_SP3	C	C[5,5,6]	S	4:3:1:1:	4:4:4:4:	3:4:1:	C[5,5,6]-4:S-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[6]-3:C-4:O-1:	C(C[5,5,6]C[5,5]C[5,6]2)(SC[6]O)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CHHS)	S(C[6]C[6,6]C[6])(CC[5,5,6]HH)(O)	C(C[5,5,6]C[5,5]C[5,6]2)(SC[6]O)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CHHS){5|H<1>}	S(C[6]C[6,6]C[6])(CC[5,5,6]HH)(O)	111.2460	0.000	1	111.2460	0.000	1	111.2460	0.000	1	111.2460	0.000	1	112.3897	1.076	3	111.2138	3.132	5
490	474	887	0:SP3_SP3_SP3	C	C[5,5,6]	S	4:3:1:1:	4:4:4:4:	4:3:1:	C[5,5,6]-4:S-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C-4:C[6a]-3:O-1:	C(C[5,5,6]C[5,5]C[5,6]2)(SC[6a]O)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CHHS)	S(CC[5,5,6]HH)(C[6a]C[6a]2)(O)	C(C[5,5,6]C[5,5]C[5,6]2)(SC[6a]O)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CHHS){5|H<1>}	S(CC[5,5,6]HH)(C[6a]C[6a]2)(O)	112.9615	0.436	2	112.9615	0.190	2	112.9615	0.190	2	112.9615	0.190	2	112.3897	1.076	3	111.2138	3.132	5
490	474	887	0:SP3_SP3_SP3	C	C[5]	S	4:3:1:1:	4:2:4:1:	3:4:1:	C[5]-4:S-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[6a]-3:C-4:O-1:	C(C[5]C[5]O[5]H)(SC[6a]O)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHS)(H)	S(C[6a]C[6a]2)(CC[5]HH)(O)	C(C[5]C[5]O[5]H)(SC[6a]O)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHS)(H){1|C<4>,3|H<1>}	S(C[6a]C[6a]2)(CC[5]HH)(O)	109.4500	0.068	2	109.4500	0.005	2	109.4500	0.005	2	109.4500	0.005	2	109.4500	0.005	2	111.2138	3.132	5
490	474	892	0:SP3_SP3_SP3	C	C[5,6]	N	4:4:1:1:	4:4:4:4:	4:4:4:4:	C[5,6]-4:N-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:C-4:	C-4:C-4:C-4:C-4:	C(C[5,6]C[5,5,6]C[5,6]C)(NC3)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CHHN)(CH3)	N(CC[5,6]HH)(CH3)3	C(C[5,6]C[5,5,6]C[5,6]C)(NC3)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CHHN)(CH3){1|C<3>,4|H<1>}	N(CC[5,6]HH)(CH3)3	121.1760	0.000	1	121.1760	0.000	1	121.1760	0.000	1	121.1760	0.000	1	121.1760	0.000	1	113.0231	12.563	18
490	474	892	0:SP3_SP3_SP3	C	C[5]	N	4:3:4:1:	3:3:4:1:	4:1:1:1:	C[5]-4:C[6a]-3:N-4:H-1:	C[5,6a]-3:N[5]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(NH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CC[6a]HN)(H)	N(CC[6a]C[5]H)(H)3	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(NH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CC[6a]HN)(H){1|H<1>,2|C<3>,2|O<1>}	N(CC[6a]C[5]H)(H)3	106.9955	0.622	2	106.9955	0.386	2	106.9955	0.386	2	106.9955	0.386	2	112.5435	8.950	17	113.0231	12.563	18
490	474	892	0:SP3_SP3_SP3	C	C[5]	N	4:4:1:1:	3:4:3:4:	4:1:1:1:	C[5]-4:N-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C-4:H-1:H-1:H-1:	C(C[5]C[6a]C[5]N[5])(NH3)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CHHN)	N(CC[5]HH)(H)3	C(C[5]C[6a]C[5]N[5])(NH3)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CHHN){1|O<1>,2|C<3>,4|H<1>}	N(CC[5]HH)(H)3	113.4330	0.000	1	113.4330	0.000	1	113.4330	0.000	1	113.4330	0.000	1	112.5435	8.950	17	113.0231	12.563	18
490	474	892	0:SP3_SP3_SP3	C	C[5]	N	4:4:1:1:	4:2:4:1:	4:4:4:4:	C[5]-4:N-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:C-4:C-4:C-4:	C(C[5]C[5]O[5]H)(NC3)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHN)(H)	N(CC[5]HH)(CH3)3	C(C[5]C[5]O[5]H)(NC3)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHN)(H){1|C<4>,1|O<2>,2|H<1>}	N(CC[5]HH)(CH3)3	116.3960	0.000	1	116.4510	0.006	2	116.4510	0.006	2	116.4510	0.006	2	112.5435	8.950	17	113.0231	12.563	18
490	474	892	0:SP3_SP3_SP3	C	C[5]	N	4:4:1:1:	4:2:4:1:	4:4:4:4:	C[5]-4:N-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:C-4:C-4:C-4:	C(C[5]C[5]O[5]H)(NC3)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHN)(H)	N(CC[5]HH)(CH3)3	C(C[5]C[5]O[5]H)(NC3)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHN)(H){1|H<1>,1|O<2>,2|C<3>}	N(CC[5]HH)(CH3)3	116.5060	0.000	1	116.4510	0.006	2	116.4510	0.006	2	116.4510	0.006	2	112.5435	8.950	17	113.0231	12.563	18
490	474	892	0:SP3_SP3_SP3	C	C[5]	N	4:4:1:1:	4:3:4:1:	4:4:4:1:	C[5]-4:N-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:C-4:C-4:H-1:	C(C[5]C[5]2H)(NCCH)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHN)(H)	N(CC[5]HH)(CH3)2(H)	C(C[5]C[5]2H)(NCCH)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHN)(H){1|C<4>,1|H<1>}	N(CC[5]HH)(CH3)2(H)	113.5460	0.000	1	113.5460	0.000	1	113.5460	0.000	1	113.5460	0.000	1	112.5435	8.950	17	113.0231	12.563	18
490	474	892	0:SP3_SP3_SP3	C	C[5]	N	4:4:1:1:	4:4:4:1:	4:1:1:1:	C[5]-4:N-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]N[5]H)(NH3)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]HH)(CHHN)(H)	N(CC[5]HH)(H)3	C(C[5]C[5]N[5]H)(NH3)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]HH)(CHHN)(H){1|C<4>,1|O<2>,2|H<1>}	N(CC[5]HH)(H)3	112.8190	0.000	1	112.8190	0.000	1	112.8190	0.000	1	112.8190	0.000	1	112.5435	8.950	17	113.0231	12.563	18
490	474	892	0:SP3_SP3_SP3	C	C[5]	N	4:4:1:1:	4:4:4:1:	4:3:1:1:	C[5]-4:N-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C(C[5]C[5]2H)(NCHH)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CHHN)(H)	N(CC[5]HH)(CC[5a]O)(H)2	C(C[5]C[5]2H)(NCHH)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CHHN)(H){1|C<2>,1|N<3>,4|H<1>}	N(CC[5]HH)(CC[5a]O)(H)2	111.4020	0.000	1	111.4020	0.000	1	111.4020	0.000	1	111.4020	0.000	1	112.5435	8.950	17	113.0231	12.563	18
490	474	892	0:SP3_SP3_SP3	C	C[5]	N	4:4:1:1:	4:4:4:1:	4:4:1:1:	C[5]-4:N-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(C[5]C[5,6]C[5]H)(NCHH)(H)2	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]CH)(CHHN)(H)	N(CC[6a]HH)(CC[5]HH)(H)2	C(C[5]C[5,6]C[5]H)(NCHH)(H)2	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]CH)(CHHN)(H){1|C<4>,3|C<3>}	N(CC[6a]HH)(CC[5]HH)(H)2	115.5250	1.215	2	115.5250	1.476	2	115.5250	1.476	2	115.5250	1.476	2	112.5435	8.950	17	113.0231	12.563	18
490	474	892	0:SP3_SP3_SP3	C	C[5]	N	4:4:1:1:	4:4:4:1:	4:4:4:1:	C[5]-4:N-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C(C[5]C[5]2H)(NCCH)(H)2	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CHHN)(H)	N(CC[5]HH)(CH3)2(H)	C(C[5]C[5]2H)(NCCH)(H)2	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CHHN)(H){2|C<3>,4|H<1>}	N(CC[5]HH)(CH3)2(H)	113.0820	0.000	1	113.0820	0.000	1	113.0820	0.000	1	113.0820	0.000	1	112.5435	8.950	17	113.0231	12.563	18
490	474	892	0:SP3_SP3_SP3	C	C[5]	N	4:4:4:1:	3:3:4:1:	4:3:1:1:	C[5]-4:N-4:C-4:H-1:	C[5,6a]-3:C[5]-3:C-4:F-1:	C-4:S-3:H-1:H-1:	C(C[5]C[5,6a]C[5]F)(NHHS)(CF3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHN)(F)	N(CC[5]CH)(SCO)(H)2	C(C[5]C[5,6a]C[5]F)(NHHS)(CF3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHN)(F){1|C<4>,1|H<1>,2|C<3>}	N(CC[5]CH)(SCO)(H)2	112.8130	1.106	2	112.8130	1.223	2	112.8130	1.223	2	112.8130	1.223	2	112.5435	8.950	17	113.0231	12.563	18
490	474	892	0:SP3_SP3_SP3	C	C[5]	N	4:4:4:1:	3:4:4:1:	3:4:1:1:	C[5]-4:N-4:C-4:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C(C[5]C[5,6a]C[5]H)(NC[6a]HH)(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHN)(H)	N(C[6a]C[6a]2)(CC[5]CH)(H)2	C(C[5]C[5,6a]C[5]H)(NC[6a]HH)(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHN)(H){2|C<3>,3|H<1>}	N(C[6a]C[6a]2)(CC[5]CH)(H)2	115.0050	0.000	1	115.0050	0.000	1	115.0050	0.000	1	115.0050	0.000	1	112.5435	8.950	17	113.0231	12.563	18
490	474	892	0:SP3_SP3_SP3	C	C[5]	N	4:4:4:1:	4:2:4:1:	4:4:1:1:	C[5]-4:C-4:N-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:C-4:H-1:H-1:	C(C[5]C[5]O[5]H)(CCHH)(NCHH)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHN)(H)	N(CC[6a]HH)(CC[5]CH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(NCHH)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHN)(H){2|H<1>,2|O<2>}	N(CC[6a]HH)(CC[5]CH)(H)2	110.1280	1.236	3	110.1280	1.527	3	110.1280	1.527	3	110.1280	1.527	3	112.5435	8.950	17	113.0231	12.563	18
490	474	893	0:SP3_SP2_SP3	C	C[5,5,6]	O	4:2:1:1:	3:4:2:4:	4:3:	C[5,5,6]-4:O-2:H-1:H-1:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:C-4:	C-4:C-3:	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(OC)(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CHHO)	O(CC[5,5,6]HH)(CC[6a]O)	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(OC)(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CHHO){3|C<3>,3|H<1>}	O(CC[5,5,6]HH)(CC[6a]O)	106.0840	0.000	1	106.0840	0.000	1	106.0840	0.000	1	106.0840	0.000	1	106.0840	0.000	1	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5,5]	O	4:2:1:1:	3:4:4:4:	4:3:	C[5,5]-4:O-2:H-1:H-1:	N[5,5,6]-3:C[5]-4:C[5]-4:C-4:	C-4:C-3:	C(C[5,5]N[5,5,6]C[5]2)(OC)(H)2	C[5,5](N[5,5,6]C[5,6]2)(C[5]O[5]HH)2(CHHO)	O(CC[5,5]HH)(CCO)	C(C[5,5]N[5,5,6]C[5]2)(OC)(H)2	C[5,5](N[5,5,6]C[5,6]2)(C[5]O[5]HH)2(CHHO){2|C<4>,2|H<1>}	O(CC[5,5]HH)(CCO)	106.3670	2.558	2	106.3670	6.545	2	106.3670	6.545	2	106.3670	6.545	2	107.2034	4.189	9	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5,5]	O	4:2:1:1:	4:4:4:2:	4:3:	C[5,5]-4:O-2:H-1:H-1:	C[3x5,6]-4:C[3x5,6]-4:C-4:O-2:	C-4:C-3:	C(C[5,5]C[3x5,6]2O)(OC)(H)2	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[3x5,6]C[5,5,6]2C)(CHHO)(OH)	O(CC[5,5]HH)(CC[5]O)	C(C[5,5]C[3x5,6]2O)(OC)(H)2	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[3x5,6]C[5,5,6]2C)(CHHO)(OH){3|H<1>,3|O<2>,5|C<4>}	O(CC[5,5]HH)(CC[5]O)	108.5130	0.198	2	108.5130	0.039	2	108.5130	0.039	2	108.5130	0.039	2	107.2034	4.189	9	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5,5]	O	4:2:1:1:	4:4:4:4:	4:3:	C[5,5]-4:O-2:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:C-3:	C(C[5,5]C[5,5,6]2C)(OC)(H)2	C[5,5](C[5,5,6]C[5,6]N[5,6]C)(C[5,5,6]C[5,6]O[5,6]C)(CHHO)(CH3)	O(CC[5,5]HH)(CCO)	C(C[5,5]C[5,5,6]2C)(OC)(H)2	C[5,5](C[5,5,6]C[5,6]N[5,6]C)(C[5,5,6]C[5,6]O[5,6]C)(CHHO)(CH3){1|C<3>,2|C<4>}	O(CC[5,5]HH)(CCO)	107.7540	1.503	2	107.7540	2.260	2	107.7540	2.260	2	108.4853	2.735	3	107.2034	4.189	9	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5,5]	O	4:2:1:1:	4:4:4:4:	4:3:	C[5,5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-4:	C-4:C-3:	C(C[5,5]C[5,5]C[5]2)(OC)(H)2	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HH)2(CHHO)	O(CC[5,5]HH)(CC[6a]O)	C(C[5,5]C[5,5]C[5]2)(OC)(H)2	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HH)2(CHHO){1|C<3>,7|H<1>}	O(CC[5,5]HH)(CC[6a]O)	109.9480	0.000	1	109.9480	0.000	1	109.9480	0.000	1	108.4853	2.735	3	107.2034	4.189	9	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5,5]	O	4:2:2:1:	4:3:2:4:	3:4:	C[5,5]-4:O-2:C-2:H-1:	C[5,5]-4:C[5]-3:O[5]-2:C-4:	C[6a]-3:C-4:	C(C[5,5]C[5,5]C[5]O[5])(OC[6a])(CC)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]C)(O[5]C[5])(CCHO)	O(C[6a]C[6a]2)(CC[5,5]CH)	C(C[5,5]C[5,5]C[5]O[5])(OC[6a])(CC)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]C)(O[5]C[5])(CCHO){2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(CC[5,5]CH)	105.1390	0.000	1	105.1390	0.000	1	105.1390	0.000	1	105.1390	0.000	1	107.2034	4.189	9	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5,5]	O	4:4:2:1:	4:4:2:4:	4:3:	C[5,5]-4:C-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C-4:C-3:	C(C[5,5]C[5,5]C[5]O[5])(CC[6]HH)(OC)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)(O[5]C[5])(CCHO)	O(CC[5,5]CH)(CCO)	C(C[5,5]C[5,5]C[5]O[5])(CC[6]HH)(OC)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)(O[5]C[5])(CCHO){1|C<4>,1|H<1>,1|O<1>}	O(CC[5,5]CH)(CCO)	104.4760	0.000	1	104.4760	0.000	1	104.4760	0.000	1	104.4760	0.000	1	107.2034	4.189	9	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5,6]	O	4:2:1:1:	2:4:4:4:	4:3:	C[5,6]-4:O-2:H-1:H-1:	O[5,6]-2:C[5]-4:C[6]-4:C-4:	C-4:C-3:	C(C[5,6]O[5,6]C[5]C[6])(OC)(H)2	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(CHHO)	O(CC[5,6]HH)(CC[6a]O)	C(C[5,6]O[5,6]C[5]C[6])(OC)(H)2	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(CHHO){1|C<4>,1|O<2>,2|H<1>}	O(CC[5,6]HH)(CC[6a]O)	109.5300	0.000	1	109.5300	0.000	1	109.5300	0.000	1	109.5300	0.000	1	107.4956	4.605	29	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5,6]	O	4:2:1:1:	3:4:4:4:	4:3:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C-4:C-3:	C(C[5,6]C[5,6]C[5]C[6])(OC)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(CHHO)	O(CC[5,6]HH)(CC[6a]O)	C(C[5,6]C[5,6]C[5]C[6])(OC)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(CHHO){1|C<3>,1|C<4>,4|H<1>}	O(CC[5,6]HH)(CC[6a]O)	109.0260	0.000	1	109.0260	0.000	1	109.0260	0.000	1	109.0260	0.000	1	107.4956	4.605	29	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5,6]	O	4:2:1:1:	4:4:4:1:	4:3:	C[5,6]-4:O-2:H-1:H-1:	C[3,5,6]-4:C[5,6,6]-4:C-4:H-1:	C-4:C-3:	C(C[5,6]C[3,5,6]C[5,6,6]H)(OC)(H)2	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,6,6]C[5,6]C[6,6]C)(CHHO)(H)	O(CC[5,6]HH)(CC[6a]O)	C(C[5,6]C[3,5,6]C[5,6,6]H)(OC)(H)2	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,6,6]C[5,6]C[6,6]C)(CHHO)(H){1|C<4>,2|C<3>,3|H<1>}	O(CC[5,6]HH)(CC[6a]O)	105.3750	0.000	1	105.3750	0.000	1	105.3750	0.000	1	106.5521	4.400	7	107.4956	4.605	29	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5,6]	O	4:2:1:1:	4:4:4:1:	4:3:	C[5,6]-4:O-2:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C-4:C-3:	C(C[5,6]C[5,5,6]C[5,6]H)(OC)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CHHO)(H)	O(CC[5,6]HH)(CCO)	C(C[5,6]C[5,5,6]C[5,6]H)(OC)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CHHO)(H){1|C<3>,4|H<1>}	O(CC[5,6]HH)(CCO)	106.0610	0.007	2	106.0610	0.000	2	105.8694	0.402	5	106.5521	4.400	7	107.4956	4.605	29	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5,6]	O	4:2:1:1:	4:4:4:1:	4:3:	C[5,6]-4:O-2:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C-4:C-3:	C(C[5,6]C[5,5,6]C[5,6]H)(OC)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CHHO)(H)	O(CC[5,6]HH)(CCO)	C(C[5,6]C[5,5,6]C[5,6]H)(OC)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	O(CC[5,6]HH)(CCO)	106.2780	0.000	1	106.2780	0.000	1	105.8694	0.402	5	106.5521	4.400	7	107.4956	4.605	29	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5,6]	O	4:2:1:1:	4:4:4:1:	4:3:	C[5,6]-4:O-2:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C-4:C-3:	C(C[5,6]C[5,5,6]C[5,6]H)(OC)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CHHO)(H)	O(CC[5,6]HH)(CC[6a]O)	C(C[5,6]C[5,5,6]C[5,6]H)(OC)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CHHO)(H){1|C<3>,2|H<1>}	O(CC[5,6]HH)(CC[6a]O)	105.4735	1.027	2	105.4735	1.056	2	105.8694	0.402	5	106.5521	4.400	7	107.4956	4.605	29	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5,6]	O	4:2:1:1:	4:4:4:1:	4:3:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C-4:C-3:	C(C[5,6]C[5,6]2H)(OC)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(CHHO)(H)	O(CC[5,6]HH)(CNO)	C(C[5,6]C[5,6]2H)(OC)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(CHHO)(H){3|C<4>,4|H<1>}	O(CC[5,6]HH)(CNO)	111.1430	0.000	1	111.1430	0.000	1	111.1430	0.000	1	106.5521	4.400	7	107.4956	4.605	29	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5,6]	O	4:2:1:1:	4:4:4:3:	4:3:	C[5,6]-4:O-2:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C-4:C-3:	C-4:C-3:	C(C[5,6]C[5,5,6,6]C[5,6]C)(OC)(H)2	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(CHHO)(COO)	O(CC[5,6]HH)(CCO)	C(C[5,6]C[5,5,6,6]C[5,6]C)(OC)(H)2	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(CHHO)(COO){1|C<3>,2|C<4>,3|H<1>}	O(CC[5,6]HH)(CCO)	106.9980	0.000	1	106.9980	0.000	1	106.9980	0.000	1	106.9980	0.000	1	107.4956	4.605	29	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5,6]	O	4:2:1:1:	4:4:4:4:	4:3:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:C-3:	C(C[5,6]C[5,6]C[5]C[6])(OC)(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CHHO)	O(CC[5,6]HH)(CCO)	C(C[5,6]C[5,6]C[5]C[6])(OC)(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CHHO){1|C<3>,2|C<4>,6|H<1>}	O(CC[5,6]HH)(CCO)	109.2765	2.027	2	109.2765	4.110	2	109.1952	3.610	5	109.1952	3.610	5	107.4956	4.605	29	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5,6]	O	4:2:1:1:	4:4:4:4:	4:3:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:C-3:	C(C[5,6]C[5,6]C[5]C[6])(OC)(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CHHO)	O(CC[5,6]HH)(CC[6a]O)	C(C[5,6]C[5,6]C[5]C[6])(OC)(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CHHO){3|C<4>,6|H<1>}	O(CC[5,6]HH)(CC[6a]O)	109.6950	0.000	1	109.6950	0.000	1	109.1952	3.610	5	109.1952	3.610	5	107.4956	4.605	29	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5,6]	O	4:2:1:1:	4:4:4:4:	4:3:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:C-3:	C(C[5,6]C[5,6]C[5]C[6])(OC)(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CHHO)	O(CC[5,6]HH)(CN[5a]O)	C(C[5,6]C[5,6]C[5]C[6])(OC)(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CHHO){1|C<3>,2|C<4>,6|H<1>}	O(CC[5,6]HH)(CN[5a]O)	108.8640	3.138	2	108.8640	9.848	2	109.1952	3.610	5	109.1952	3.610	5	107.4956	4.605	29	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5,6]	O	4:3:2:1:	4:2:2:4:	4:3:	C[5,6]-4:C-3:O-2:H-1:	C[5,6]-4:O[5]-2:O[6]-2:C-4:	C-4:C-3:	C(C[5,6]C[5,6]O[5]O[6])(CNO)(OC)(H)	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(CCHO)	O(CC[5,6]CH)(CC[6a]O)	C(C[5,6]C[5,6]O[5]O[6])(CNO)(OC)(H)	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(CCHO){1|O<2>,3|C<4>,3|H<1>}	O(CC[5,6]CH)(CC[6a]O)	106.3030	0.000	1	106.3030	0.000	1	106.3030	0.000	1	106.3030	0.000	1	107.4956	4.605	29	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5,6]	O	4:3:2:1:	4:4:3:4:	4:3:	C[5,6]-4:C-3:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:C-3:	C(C[5,6]C[5,6]C[5]C[6])(CCH)(OC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]CH)(C[5]N[5]O)(CCHO)	O(CC[5,6]CH)(CCO)	C(C[5,6]C[5,6]C[5]C[6])(CCH)(OC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]CH)(C[5]N[5]O)(CCHO){1|O<2>,3|C<4>,4|H<1>}	O(CC[5,6]CH)(CCO)	107.0480	0.000	1	107.0480	0.000	1	107.3775	0.217	2	107.3775	0.217	2	107.4956	4.605	29	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5,6]	O	4:3:2:1:	4:4:3:4:	4:3:	C[5,6]-4:C-3:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:C-3:	C(C[5,6]C[5,6]C[5]C[6])(CCH)(OC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(CCHO)	O(CC[5,6]CH)(CCO)	C(C[5,6]C[5,6]C[5]C[6])(CCH)(OC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(CCHO){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(CC[5,6]CH)(CCO)	107.7070	0.000	1	107.7070	0.000	1	107.3775	0.217	2	107.3775	0.217	2	107.4956	4.605	29	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5,6]	O	4:3:2:1:	4:4:4:1:	4:3:	C[5,6]-4:C-3:O-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	C-4:C-3:	C(C[5,6]C[5,5,6]2H)(COO)(OC)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,5]C)(CCHO)(H)	O(CC[5,6]CH)(CC[6a]O)	C(C[5,6]C[5,5,6]2H)(COO)(OC)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,5]C)(CCHO)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	O(CC[5,6]CH)(CC[6a]O)	112.0360	0.000	1	112.0360	0.000	1	112.0360	0.000	1	112.0360	0.000	1	107.4956	4.605	29	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[5,6]-4:C-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:C-3:	C(C[5,6]C[5,6]C[5]C[6])(CC[5]HO)(OC)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HO)(C[6]C[6]CH)(CCHO)	O(CC[5,6]CH)(CCO)	C(C[5,6]C[5,6]C[5]C[6])(CC[5]HO)(OC)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HO)(C[6]C[6]CH)(CCHO){1|O<2>,2|C<4>,3|H<1>}	O(CC[5,6]CH)(CCO)	107.0618	1.460	5	107.0618	2.133	5	107.0618	2.133	5	106.6883	3.543	10	107.4956	4.605	29	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:C-3:	C(C[5,6]C[5,6]C[5]C[6])(C[5]C[5]2H)(OC)(H)	C[5,6](C[5,6]C[3,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HO)(CC[5]HO)	O(CC[5,6]C[5]H)(CC[6a]O)	C(C[5,6]C[5,6]C[5]C[6])(C[5]C[5]2H)(OC)(H)	C[5,6](C[5,6]C[3,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HO)(CC[5]HO){3|H<1>,4|C<4>}	O(CC[5,6]C[5]H)(CC[6a]O)	109.9190	0.000	1	109.9190	0.000	1	106.3148	5.489	5	106.6883	3.543	10	107.4956	4.605	29	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:C-3:	C(C[5,6]C[5,6]C[5]C[6])(C[5]C[5]2H)(OC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(CC[5]HO)	O(CC[5,6]C[5]H)(CCO)	C(C[5,6]C[5,6]C[5]C[6])(C[5]C[5]2H)(OC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(CC[5]HO){1|C<3>,2|H<1>,3|C<4>}	O(CC[5,6]C[5]H)(CCO)	106.3630	0.402	2	105.4137	1.907	4	106.3148	5.489	5	106.6883	3.543	10	107.4956	4.605	29	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:C-3:	C(C[5,6]C[5,6]C[5]C[6])(C[5]C[5]2H)(OC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(CC[5]HO)	O(CC[5,6]C[5]H)(CCO)	C(C[5,6]C[5,6]C[5]C[6])(C[5]C[5]2H)(OC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(CC[5]HO){2|C<3>,2|C<4>,2|H<1>}	O(CC[5,6]C[5]H)(CCO)	104.4645	1.398	2	105.4137	1.907	4	106.3148	5.489	5	106.6883	3.543	10	107.4956	4.605	29	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	3:4:2:1:	3:4:4:4:	4:3:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2C)(OC)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]HO)(CH3)	O(CC[6a]C[5]H)(CNO)	C(C[6a]C[6a]2)(C[5]C[5]2C)(OC)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]HO)(CH3){2|C<3>,3|H<1>}	O(CC[6a]C[5]H)(CNO)	105.9705	0.179	2	105.9705	0.032	2	105.9705	0.032	2	105.9705	0.032	2	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	3:4:2:1:	4:3:4:1:	4:3:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2H)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]HO)(H)	O(CC[6a]C[5]H)(CNO)	C(C[6a]C[6a]2)(C[5]C[5]2H)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]HO)(H){3|H<1>}	O(CC[6a]C[5]H)(CNO)	106.2700	0.068	2	106.2700	0.005	2	105.6330	1.220	3	105.6330	1.220	3	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	3:4:2:1:	4:3:4:1:	4:3:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2H)(OC)(H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CC[6a]HO)(H)	O(CC[6a]C[5]H)(CCO)	C(C[6a]C[6a]2)(C[5]C[5]2H)(OC)(H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CC[6a]HO)(H){1|S<4>,2|H<1>}	O(CC[6a]C[5]H)(CCO)	104.3590	0.000	1	104.3590	0.000	1	105.6330	1.220	3	105.6330	1.220	3	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	3:4:2:1:	4:3:4:4:	4:3:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2C)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HO)(CH3)	O(CC[6a]C[5]H)(CC[6a]O)	C(C[6a]C[6a]2)(C[5]C[5]2C)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HO)(CH3){3|H<1>}	O(CC[6a]C[5]H)(CC[6a]O)	107.3400	0.000	1	107.3400	0.000	1	107.3400	0.000	1	107.3400	0.000	1	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	3:4:2:1:	4:4:4:1:	4:3:	C[6a]-3:C[5]-4:O-2:H-1:	S[5]-4:S[5]-4:C-4:F-1:	C-4:C-3:	C(C[6a]C[6a]2)(C[5]S[5]2F)(OC)(H)	C[5](S[5]C[5,6a]OO)2(CC[6a]HO)(F)	O(CC[6a]C[5]H)(CC[6a]O)	C(C[6a]C[6a]2)(C[5]S[5]2F)(OC)(H)	C[5](S[5]C[5,6a]OO)2(CC[6a]HO)(F){2|C<3>}	O(CC[6a]C[5]H)(CC[6a]O)	103.1190	0.000	1	103.1190	0.000	1	103.1190	0.000	1	103.1190	0.000	1	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	3:4:2:1:	4:4:4:3:	4:3:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2C)(OC)(H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CC[6a]HO)(COO)	O(CC[6a]C[5]H)(CC[6a]O)	C(C[6a]C[6a]2)(C[5]C[5]2C)(OC)(H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CC[6a]HO)(COO){1|O<1>}	O(CC[6a]C[5]H)(CC[6a]O)	105.3680	0.000	1	105.3680	0.000	1	105.3680	0.000	1	105.3680	0.000	1	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	3:2:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5,6a]-3:O[5]-2:C-4:H-1:	C-4:C-3:	C(C[5]C[5,6a]O[5]H)(OC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(CCO)	C(C[5]C[5,6a]O[5]H)(OC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CHHO)(H){1|H<1>,1|N<2>,2|C<3>}	O(CC[5]HH)(CCO)	107.5230	0.000	1	107.5230	0.000	1	107.3290	0.075	2	108.9600	4.488	4	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	3:2:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5,6a]-3:O[5]-2:C-4:H-1:	C-4:C-3:	C(C[5]C[5,6a]O[5]H)(OC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(CC[3]O)	C(C[5]C[5,6a]O[5]H)(OC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CHHO)(H){1|H<1>,1|O<1>,2|C<3>}	O(CC[5]HH)(CC[3]O)	107.1350	0.000	1	107.1350	0.000	1	107.3290	0.075	2	108.9600	4.488	4	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	3:2:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C-4:C-3:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]H)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(CCO)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]H)(O[5]C[5])(CHHO)(H){1|N<3>,2|H<1>}	O(CC[5]HH)(CCO)	110.5910	1.657	2	110.5910	2.747	2	110.5910	2.747	2	108.9600	4.488	4	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	3:2:4:4:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:C-3:	C(C[5]C[5]O[5]C)(OC)(H)2	C[5](C[5]N[5]O)(O[5]C[5])(CHHO)(CH3)	O(CC[5]HH)(CCO)	C(C[5]C[5]O[5]C)(OC)(H)2	C[5](C[5]N[5]O)(O[5]C[5])(CHHO)(CH3){1|C<4>,1|O<1>}	O(CC[5]HH)(CCO)	107.1940	0.000	1	107.1940	0.000	1	107.1940	0.000	1	107.1940	0.000	1	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	3:3:3:4:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5,6a]-3:N[5]-3:C[5]-3:C-4:	C-4:C-3:	C(C[5]C[5,6a]C[5]N[5])(OC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]C[5])(C[5]N[5]O)(CHHO)	O(CC[5]HH)(CC[6a]O)	C(C[5]C[5,6a]C[5]N[5])(OC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]C[5])(C[5]N[5]O)(CHHO){2|C<4>,3|H<1>,4|C<3>}	O(CC[5]HH)(CC[6a]O)	104.1480	0.000	1	104.1480	0.000	1	104.1480	0.000	1	104.1480	0.000	1	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	3:3:4:1:	3:4:	C[5]-4:O-2:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5]-3:C-4:	C(C[5]C[5,6a]2H)(OC[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CHHO)(H)	O(C[5]N[5]O[5])(CC[5]HH)	C(C[5]C[5,6a]2H)(OC[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CHHO)(H){2|H<1>,4|C<3>}	O(C[5]N[5]O[5])(CC[5]HH)	111.1840	0.000	1	111.1840	0.000	1	111.1840	0.000	1	111.1840	0.000	1	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	3:3:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C-4:C-3:	C(C[5]C[5,6a]2H)(OC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CHHO)(H)	O(CC[5]HH)(CNO)	C(C[5]C[5,6a]2H)(OC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CHHO)(H){2|H<1>,4|C<3>}	O(CC[5]HH)(CNO)	108.7455	1.738	43	108.7455	3.020	43	108.8570	3.043	52	108.8503	2.987	53	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	3:3:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C-4:C-3:	C(C[5]C[5,6a]2H)(OC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CHHO)(H)	O(CC[5]HH)(CN[5]O)	C(C[5]C[5,6a]2H)(OC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CHHO)(H){2|H<1>,4|C<3>}	O(CC[5]HH)(CN[5]O)	110.5055	1.835	4	110.5055	3.368	4	108.8570	3.043	52	108.8503	2.987	53	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	3:3:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C-4:C-3:	C(C[5]C[5,6a]2H)(OC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CHHO)(H)	O(CC[5]HH)(CN[6]O)	C(C[5]C[5,6a]2H)(OC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CHHO)(H){2|H<1>,4|C<3>}	O(CC[5]HH)(CN[6]O)	108.5725	1.426	4	108.5725	2.032	4	108.8570	3.043	52	108.8503	2.987	53	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	3:3:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C-4:C-3:	C(C[5]C[5,6a]2H)(OC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CHHO)(H)	O(CC[5]HH)(CSS)	C(C[5]C[5,6a]2H)(OC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CHHO)(H){2|H<1>,4|C<3>}	O(CC[5]HH)(CSS)	108.1970	0.000	1	108.1970	0.000	1	108.8570	3.043	52	108.8503	2.987	53	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	3:3:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:H-1:	C-4:C-3:	C(C[5]C[5,6a]N[5]H)(OC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CHHO)(H)	O(CC[5]HH)(CC[6a]O)	C(C[5]C[5,6a]N[5]H)(OC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CHHO)(H){1|C<4>,2|C<3>,2|H<1>}	O(CC[5]HH)(CC[6a]O)	108.5010	0.000	1	108.5010	0.000	1	108.5010	0.000	1	108.8503	2.987	53	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	3:3:4:4:	3:4:	C[5]-4:O-2:H-1:H-1:	C[5]-3:N[5]-3:C-4:C-4:	C-3:C-4:	C(C[5]C[5]N[5]C)(OC)(H)2	C[5](C[5]C[5]H)(N[5]C[5]C)(CHHO)2	O(CC[5,5,6]O)(CC[5]HH)	C(C[5]C[5]N[5]C)(OC)(H)2	C[5](C[5]C[5]H)(N[5]C[5]C)(CHHO)2{3|H<1>}	O(CC[5,5,6]O)(CC[5]HH)	110.4380	0.000	1	110.4380	0.000	1	110.4380	0.000	1	110.4380	0.000	1	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	3:3:4:4:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5]-3:N[5]-3:C-4:C-4:	C-4:C-3:	C(C[5]C[5]N[5]C)(OC)(H)2	C[5](C[5]C[5]H)(N[5]C[5]C)(CHHO)2	O(CC[5]HH)(CCO)	C(C[5]C[5]N[5]C)(OC)(H)2	C[5](C[5]C[5]H)(N[5]C[5]C)(CHHO)2{3|H<1>}	O(CC[5]HH)(CCO)	108.2560	0.000	1	108.2560	0.000	1	108.2560	0.000	1	108.2560	0.000	1	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	3:4:4:1:	3:4:	C[5]-4:O-2:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C[6a]-3:C-4:	C(C[5]C[5]N[5]H)(OC[6a])(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CHHO)(H)	O(C[6a]C[6a]2)(CC[5]HH)	C(C[5]C[5]N[5]H)(OC[6a])(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CHHO)(H){1|C<4>,2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CC[5]HH)	104.8465	0.286	2	104.8465	0.082	2	104.8465	0.082	2	104.8465	0.082	2	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	3:4:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	C-4:C-3:	C(C[5]N[5,5]C[5]H)(OC)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H)	O(CC[5]HH)(CCO)	C(C[5]N[5,5]C[5]H)(OC)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H){1|O<2>,2|C<4>,4|H<1>}	O(CC[5]HH)(CCO)	107.2370	0.000	1	107.2370	0.000	1	107.2370	0.000	1	107.2370	0.000	1	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	3:4:4:4:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:C-4:	C-4:C-3:	C(C[5]C[5,6]C[5]C)(OC)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHHO)(CH3)	O(CC[5]HH)(CC[6a]O)	C(C[5]C[5,6]C[5]C)(OC)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHHO)(CH3){1|C<3>,1|H<1>,4|C<4>}	O(CC[5]HH)(CC[6a]O)	107.5960	0.000	1	107.5960	0.000	1	107.5960	0.000	1	109.5083	4.023	3	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	3:4:4:4:	4:3:	C[5]-4:O-2:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:C-4:	C-4:C-3:	C(C[5]N[5,5]C[5]C)(OC)(H)2	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CHHO)(CH3)	O(CC[5]HH)(CNO)	C(C[5]N[5,5]C[5]C)(OC)(H)2	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CHHO)(CH3){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	O(CC[5]HH)(CNO)	109.3330	0.000	1	110.4645	2.561	2	110.4645	2.561	2	109.5083	4.023	3	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	3:4:4:4:	4:3:	C[5]-4:O-2:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:C-4:	C-4:C-3:	C(C[5]N[5,5]C[5]C)(OC)(H)2	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CHHO)(CH3)	O(CC[5]HH)(CNO)	C(C[5]N[5,5]C[5]C)(OC)(H)2	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CHHO)(CH3){1|H<1>,1|O<1>,3|C<4>}	O(CC[5]HH)(CNO)	111.5960	0.000	1	110.4645	2.561	2	110.4645	2.561	2	109.5083	4.023	3	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:2:2:4:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:O-2:C-4:	C-4:C-3:	C(C[5]C[5]O[5]O)(OC)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(CHHO)	O(CC[5]HH)(CCO)	C(C[5]C[5]O[5]O)(OC)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(CHHO){1|C<4>,1|O<2>,2|H<1>}	O(CC[5]HH)(CCO)	110.8680	0.000	1	110.8680	0.000	1	110.8680	0.000	1	110.8680	0.000	1	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	3:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-3:C-4:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	O(CC[5,5,6]O)(CC[5]HH)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|C<3>,1|S<4>,2|H<1>}	O(CC[5,5,6]O)(CC[5]HH)	107.7385	0.282	2	107.7385	0.080	2	107.7385	0.080	2	107.0485	4.955	52	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	3:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5a]-3:C-4:	C(C[5]C[5]O[5]H)(OC[5a])(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H)	O(C[5a]C[5a]N[5a])(CC[5]HH)	C(C[5]C[5]O[5]H)(OC[5a])(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<1>}	O(C[5a]C[5a]N[5a])(CC[5]HH)	108.7480	4.270	3	108.7480	18.231	3	108.7480	18.231	3	107.0485	4.955	52	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	3:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[6a]-3:C-4:	C(C[5]C[5]O[5]H)(OC[6a])(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	O(C[6a]C[6a]2)(CC[5]HH)	C(C[5]C[5]O[5]H)(OC[6a])(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|C<2>,3|H<1>}	O(C[6a]C[6a]2)(CC[5]HH)	107.9720	0.000	1	107.9720	0.000	1	107.8244	4.754	25	107.0485	4.955	52	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	3:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[6a]-3:C-4:	C(C[5]C[5]O[5]H)(OC[6a])(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H)	O(C[6a]C[6a]2)(CC[5]HH)	C(C[5]C[5]O[5]H)(OC[6a])(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H){1|H<1>,1|O<1>}	O(C[6a]C[6a]2)(CC[5]HH)	107.2232	1.329	5	107.2232	1.766	5	107.8244	4.754	25	107.0485	4.955	52	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	3:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[6a]-3:C-4:	C(C[5]C[5]O[5]H)(OC[6a])(H)2	C[5](C[5]O[5]CH)(O[5]C[5,6])(CHHO)(H)	O(C[6a]C[6a]2)(CC[5]HH)	C(C[5]C[5]O[5]H)(OC[6a])(H)2	C[5](C[5]O[5]CH)(O[5]C[5,6])(CHHO)(H){2|C<4>}	O(C[6a]C[6a]2)(CC[5]HH)	108.7200	3.459	4	108.7200	11.963	4	107.8244	4.754	25	107.0485	4.955	52	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	3:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[6a]-3:C-4:	C(C[5]C[5]O[5]H)(OC[6a])(H)2	C[5](C[5]O[5]HH)(O[5]C[5])(CHHO)(H)	O(C[6a]C[6a]2)(CC[5]HH)	C(C[5]C[5]O[5]H)(OC[6a])(H)2	C[5](C[5]O[5]HH)(O[5]C[5])(CHHO)(H){1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(CC[5]HH)	107.3874	1.727	7	107.7762	4.719	15	107.8244	4.754	25	107.0485	4.955	52	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	3:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[6a]-3:C-4:	C(C[5]C[5]O[5]H)(OC[6a])(H)2	C[5](C[5]O[5]HH)(O[5]C[5])(CHHO)(H)	O(C[6a]C[6a]2)(CC[5]HH)	C(C[5]C[5]O[5]H)(OC[6a])(H)2	C[5](C[5]O[5]HH)(O[5]C[5])(CHHO)(H){2|C<4>}	O(C[6a]C[6a]2)(CC[5]HH)	108.1164	2.569	8	107.7762	4.719	15	107.8244	4.754	25	107.0485	4.955	52	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	3:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:S[5]-2:C-4:H-1:	C[6a]-3:C-4:	C(C[5]C[5]S[5]H)(OC[6a])(H)2	C[5](C[5]S[5]HH)(S[5]C[5])(CHHO)(H)	O(C[6a]C[6a]2)(CC[5]HH)	C(C[5]C[5]S[5]H)(OC[6a])(H)2	C[5](C[5]S[5]HH)(S[5]C[5])(CHHO)(H){1|S<1>}	O(C[6a]C[6a]2)(CC[5]HH)	106.8440	0.000	1	106.8440	0.000	1	106.8440	0.000	1	107.0485	4.955	52	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	3:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:Se[5]-2:C-4:H-1:	C[6a]-3:C-4:	C(C[5]Se[5]C[5]H)(OC[6a])(H)2	C[5](C[5]C[5]HO)(Se[5]C[5])(CHHO)(H)	O(C[6a]C[6a]2)(CC[5]HH)	C(C[5]Se[5]C[5]H)(OC[6a])(H)2	C[5](C[5]C[5]HO)(Se[5]C[5])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6a]C[6a]2)(CC[5]HH)	105.8260	1.516	21	105.8260	2.299	21	105.8260	2.299	21	107.0485	4.955	52	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[3,5]-4:O[5]-2:C-4:H-1:	C-4:C-3:	C(C[5]C[3,5]O[5]H)(OC)(H)2	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(CC[6a]O)	C(C[5]C[3,5]O[5]H)(OC)(H)2	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CHHO)(H){1|N<3>,2|H<1>}	O(CC[5]HH)(CC[6a]O)	106.9340	0.000	1	106.9340	0.000	1	106.9340	0.000	1	108.5100	2.994	70	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[4,5]-4:O[5]-2:C-4:H-1:	C-4:C-3:	C(C[5]C[4,5]O[5]H)(OC)(H)2	C[5](C[4,5]C[4,5]C[4]C)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(CCO)	C(C[5]C[4,5]O[5]H)(OC)(H)2	C[5](C[4,5]C[4,5]C[4]C)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<1>,2|H<1>}	O(CC[5]HH)(CCO)	106.7670	0.000	1	106.7670	0.000	1	108.5917	3.942	3	108.5100	2.994	70	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[4,5]-4:O[5]-2:C-4:H-1:	C-4:C-3:	C(C[5]C[4,5]O[5]H)(OC)(H)2	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(CCO)	C(C[5]C[4,5]O[5]H)(OC)(H)2	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H){1|O<1>,2|C<4>,2|H<1>}	O(CC[5]HH)(CCO)	110.7060	0.000	1	110.7060	0.000	1	108.5917	3.942	3	108.5100	2.994	70	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[4,5]-4:O[5]-2:C-4:H-1:	C-4:C-3:	C(C[5]C[4,5]O[5]H)(OC)(H)2	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(COO)	C(C[5]C[4,5]O[5]H)(OC)(H)2	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<1>,2|H<1>}	O(CC[5]HH)(COO)	108.3020	0.000	1	108.3020	0.000	1	108.5917	3.942	3	108.5100	2.994	70	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5,5,6]-4:O[5]-2:C-4:H-1:	C-4:C-3:	C(C[5]C[5,5,6]O[5]H)(OC)(H)2	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(CCO)	C(C[5]C[5,5,6]O[5]H)(OC)(H)2	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(CHHO)(H){3|H<1>,4|C<4>}	O(CC[5]HH)(CCO)	108.1190	0.000	1	108.1190	0.000	1	108.1190	0.000	1	108.5100	2.994	70	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:C-3:	C(C[5]C[5,5]O[5]H)(OC)(H)2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(CCO)	C(C[5]C[5,5]O[5]H)(OC)(H)2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(CC[5]HH)(CCO)	109.0195	2.024	2	109.0195	4.098	2	107.2738	3.612	5	108.5100	2.994	70	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:C-3:	C(C[5]C[5,5]O[5]H)(OC)(H)2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(CC[6a]O)	C(C[5]C[5,5]O[5]H)(OC)(H)2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(CC[5]HH)(CC[6a]O)	106.3830	0.000	1	106.1100	0.096	3	107.2738	3.612	5	108.5100	2.994	70	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:C-3:	C(C[5]C[5,5]O[5]H)(OC)(H)2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(CC[6a]O)	C(C[5]C[5,5]O[5]H)(OC)(H)2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(CC[5]HH)(CC[6a]O)	105.9735	0.284	2	106.1100	0.096	3	107.2738	3.612	5	108.5100	2.994	70	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C-4:C-3:	C(C[5]C[5,6]O[5]H)(OC)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(CCO)	C(C[5]C[5,6]O[5]H)(OC)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CHHO)(H){3|C<4>,4|H<1>}	O(CC[5]HH)(CCO)	110.4920	0.000	1	110.4920	0.000	1	109.9600	0.566	2	108.5100	2.994	70	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C-4:C-3:	C(C[5]C[5,6]O[5]H)(OC)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(CHHO)(H)	O(CC[5]HH)(CCO)	C(C[5]C[5,6]O[5]H)(OC)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	O(CC[5]HH)(CCO)	109.4280	0.000	1	109.4280	0.000	1	109.9600	0.566	2	108.5100	2.994	70	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:C-3:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(CHHO)(H)	O(CC[5]HH)(CCO)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	O(CC[5]HH)(CCO)	107.6190	0.000	1	107.6190	0.000	1	108.6471	3.026	55	108.5100	2.994	70	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:C-3:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	O(CC[5]HH)(CCO)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	O(CC[5]HH)(CCO)	106.2480	0.000	1	106.2480	0.000	1	108.6471	3.026	55	108.5100	2.994	70	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:C-3:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]CH)(O[5]C[5,5])(CHHO)(H)	O(CC[5]HH)(CC[6a]O)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]CH)(O[5]C[5,5])(CHHO)(H){1|H<1>,1|O<2>,2|C<4>}	O(CC[5]HH)(CC[6a]O)	106.6470	0.000	1	106.6470	0.000	1	108.6471	3.026	55	108.5100	2.994	70	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:C-3:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(CC[6a]O)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	O(CC[5]HH)(CC[6a]O)	108.8690	0.000	1	108.0127	3.061	3	108.6471	3.026	55	108.5100	2.994	70	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:C-3:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(CC[6a]O)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	O(CC[5]HH)(CC[6a]O)	107.5845	2.241	2	108.0127	3.061	3	108.6471	3.026	55	108.5100	2.994	70	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:C-3:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]CH)(O[5]N[5])(CHHO)(H)	O(CC[5]HH)(CC[6a]O)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]CH)(O[5]N[5])(CHHO)(H){1|C<4>}	O(CC[5]HH)(CC[6a]O)	107.3425	1.364	2	107.3425	1.861	2	108.6471	3.026	55	108.5100	2.994	70	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:C-3:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]CO)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(CCO)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]CO)(O[5]C[5])(CHHO)(H){1|H<1>,1|O<1>,1|O<2>}	O(CC[5]HH)(CCO)	108.2700	0.000	1	108.2700	0.000	1	108.6471	3.026	55	108.5100	2.994	70	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:C-3:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(H)	O(CC[5]HH)(CC[6a]O)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(H){1|H<1>,3|C<4>}	O(CC[5]HH)(CC[6a]O)	108.3850	0.000	1	108.6220	0.112	2	108.6471	3.026	55	108.5100	2.994	70	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:C-3:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(H)	O(CC[5]HH)(CC[6a]O)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(H){2|C<4>,2|H<1>}	O(CC[5]HH)(CC[6a]O)	108.8590	0.000	1	108.6220	0.112	2	108.6471	3.026	55	108.5100	2.994	70	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:C-3:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HH)(O[5]C[5,6])(CHHO)(H)	O(CC[5]HH)(CC[6a]O)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HH)(O[5]C[5,6])(CHHO)(H){2|C<4>,2|H<1>}	O(CC[5]HH)(CC[6a]O)	107.5730	0.731	2	107.5730	0.535	2	108.6471	3.026	55	108.5100	2.994	70	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:C-3:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(CC[6a]O)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	O(CC[5]HH)(CC[6a]O)	107.4920	0.000	1	108.4483	1.142	3	108.6471	3.026	55	108.5100	2.994	70	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:C-3:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(CC[6a]O)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|C<3>,3|H<1>}	O(CC[5]HH)(CC[6a]O)	109.6020	0.000	1	108.4483	1.142	3	108.6471	3.026	55	108.5100	2.994	70	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:C-3:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(CC[6a]O)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|O<1>,2|C<4>}	O(CC[5]HH)(CC[6a]O)	108.2510	0.000	1	108.4483	1.142	3	108.6471	3.026	55	108.5100	2.994	70	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:C-3:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HI)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(CC[6a]O)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HI)(O[5]C[5])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	O(CC[5]HH)(CC[6a]O)	108.2100	0.000	1	108.2100	0.000	1	108.6471	3.026	55	108.5100	2.994	70	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:C-3:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(CCO)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	O(CC[5]HH)(CCO)	107.6990	0.000	1	109.6242	3.331	17	108.6471	3.026	55	108.5100	2.994	70	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:C-3:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(CCO)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|H<1>,2|O<2>}	O(CC[5]HH)(CCO)	108.1955	0.064	2	109.6242	3.331	17	108.6471	3.026	55	108.5100	2.994	70	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:C-3:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(CCO)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|H<1>,1|O<1>,1|O<2>}	O(CC[5]HH)(CCO)	107.3890	0.000	1	109.6242	3.331	17	108.6471	3.026	55	108.5100	2.994	70	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:C-3:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(CCO)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	O(CC[5]HH)(CCO)	110.6598	1.953	6	109.6242	3.331	17	108.6471	3.026	55	108.5100	2.994	70	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:C-3:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(CCO)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	O(CC[5]HH)(CCO)	109.4457	1.503	6	109.6242	3.331	17	108.6471	3.026	55	108.5100	2.994	70	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:C-3:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(CCO)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){2|H<1>,2|O<2>}	O(CC[5]HH)(CCO)	111.4990	0.000	1	109.6242	3.331	17	108.6471	3.026	55	108.5100	2.994	70	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:C-3:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(CC[6a]O)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	O(CC[5]HH)(CC[6a]O)	110.8800	0.000	1	108.5371	2.836	14	108.6471	3.026	55	108.5100	2.994	70	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:C-3:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(CC[6a]O)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	O(CC[5]HH)(CC[6a]O)	109.2130	0.952	5	108.5371	2.836	14	108.6471	3.026	55	108.5100	2.994	70	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:C-3:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(CC[6a]O)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	O(CC[5]HH)(CC[6a]O)	107.8958	2.015	6	108.5371	2.836	14	108.6471	3.026	55	108.5100	2.994	70	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:C-3:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(CC[6a]O)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|O<2>,3|H<1>}	O(CC[5]HH)(CC[6a]O)	107.5995	0.971	2	108.5371	2.836	14	108.6471	3.026	55	108.5100	2.994	70	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:C-3:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(CCO)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H){1|C<3>}	O(CC[5]HH)(CCO)	108.1710	0.000	1	107.9000	0.147	2	108.6471	3.026	55	108.5100	2.994	70	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:C-3:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(CCO)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H){1|C<4>,1|N<2>}	O(CC[5]HH)(CCO)	107.6290	0.000	1	107.9000	0.147	2	108.6471	3.026	55	108.5100	2.994	70	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:C-3:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]O[5]CH)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(CC[6a]O)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]O[5]CH)(O[5]C[5])(CHHO)(H){2|C<4>}	O(CC[5]HH)(CC[6a]O)	112.6460	0.000	1	112.6460	0.000	1	108.6471	3.026	55	108.5100	2.994	70	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:C-3:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]O[5]HH)(O[5]C[5,6])(CHHO)(H)	O(CC[5]HH)(CC[6a]O)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]O[5]HH)(O[5]C[5,6])(CHHO)(H){2|C<4>}	O(CC[5]HH)(CC[6a]O)	108.1080	1.374	3	108.1080	1.889	3	108.6471	3.026	55	108.5100	2.994	70	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:C-3:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]O[5]HH)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(CNO)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]O[5]HH)(O[5]C[5])(CHHO)(H){1|O<1>}	O(CC[5]HH)(CNO)	106.2370	0.000	1	106.2370	0.000	1	108.6471	3.026	55	108.5100	2.994	70	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5]-4:S[5]-2:C-4:H-1:	C-4:C-3:	C(C[5]C[5]S[5]H)(OC)(H)2	C[5](C[5]C[5]FF)(S[5]C[5])(CHHO)(H)	O(CC[5]HH)(CC[6a]O)	C(C[5]C[5]S[5]H)(OC)(H)2	C[5](C[5]C[5]FF)(S[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	O(CC[5]HH)(CC[6a]O)	107.0200	0.000	1	107.0020	0.001	2	107.6653	1.320	3	108.5100	2.994	70	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5]-4:S[5]-2:C-4:H-1:	C-4:C-3:	C(C[5]C[5]S[5]H)(OC)(H)2	C[5](C[5]C[5]FF)(S[5]C[5])(CHHO)(H)	O(CC[5]HH)(CC[6a]O)	C(C[5]C[5]S[5]H)(OC)(H)2	C[5](C[5]C[5]FF)(S[5]C[5])(CHHO)(H){1|O<2>,3|H<1>}	O(CC[5]HH)(CC[6a]O)	106.9840	0.000	1	107.0020	0.001	2	107.6653	1.320	3	108.5100	2.994	70	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5]-4:S[5]-2:C-4:H-1:	C-4:C-3:	C(C[5]C[5]S[5]H)(OC)(H)2	C[5](C[5]C[5]HO)(S[5]C[5])(CHHO)(H)	O(CC[5]HH)(CC[6a]O)	C(C[5]C[5]S[5]H)(OC)(H)2	C[5](C[5]C[5]HO)(S[5]C[5])(CHHO)(H){2|H<1>,2|O<2>}	O(CC[5]HH)(CC[6a]O)	108.9920	0.000	1	108.9920	0.000	1	107.6653	1.320	3	108.5100	2.994	70	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:2:4:4:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C-4:C-3:	C(C[5]C[5,6]O[5]C)(OC)(H)2	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCHH)(CHHO)	O(CC[5]HH)(CC[6a]O)	C(C[5]C[5,6]O[5]C)(OC)(H)2	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCHH)(CHHO){3|C<4>,4|H<1>}	O(CC[5]HH)(CC[6a]O)	107.9770	0.000	1	107.9770	0.000	1	110.2640	10.461	2	109.4901	6.842	8	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:2:4:4:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C-4:C-3:	C(C[5]C[5,6]O[5]C)(OC)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CHHO)(CH3)	O(CC[5]HH)(CHO)	C(C[5]C[5,6]O[5]C)(OC)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CHHO)(CH3){1|C<2>,1|O<2>,2|C<4>,3|H<1>}	O(CC[5]HH)(CHO)	112.5510	0.000	1	112.5510	0.000	1	110.2640	10.461	2	109.4901	6.842	8	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:2:4:4:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:C-3:	C(C[5]C[5]O[5]C)(OC)(H)2	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(CHHO)2	O(CC[5]HH)(CCO)	C(C[5]C[5]O[5]C)(OC)(H)2	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(CHHO)2{2|H<1>,2|O<2>}	O(CC[5]HH)(CCO)	107.8290	0.823	3	107.8290	0.678	3	109.2322	7.167	6	109.4901	6.842	8	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:2:4:4:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:C-3:	C(C[5]C[5]O[5]C)(OC)(H)2	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(CH3)	O(CC[5]HH)(CC[6a]O)	C(C[5]C[5]O[5]C)(OC)(H)2	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(CH3){1|C<4>,1|H<1>,2|O<2>}	O(CC[5]HH)(CC[6a]O)	108.1610	0.000	1	108.1610	0.000	1	109.2322	7.167	6	109.4901	6.842	8	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:2:4:4:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:C-3:	C(C[5]C[5]O[5]C)(OC)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(CH3)	O(CC[5]HH)(CC[6a]O)	C(C[5]C[5]O[5]C)(OC)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(CH3){1|H<1>,1|N<3>,1|O<1>}	O(CC[5]HH)(CC[6a]O)	109.2760	0.000	1	109.2760	0.000	1	109.2322	7.167	6	109.4901	6.842	8	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:2:4:4:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:C-3:	C(C[5]C[5]O[5]C)(OC)(H)2	C[5](C[5]C[5]HH)(O[5]O[5])(CHHO)(CH3)	O(CC[5]HH)(CCO)	C(C[5]C[5]O[5]C)(OC)(H)2	C[5](C[5]C[5]HH)(O[5]O[5])(CHHO)(CH3){2|C<4>}	O(CC[5]HH)(CCO)	114.4690	0.000	1	114.4690	0.000	1	109.2322	7.167	6	109.4901	6.842	8	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:3:4:1:	3:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C-4:	C(C[5]C[5]2H)(OC[6a])(H)2	C[5](C[5]O[5]HH)(C[5]N[5]C)(CHHO)(H)	O(C[6a]C[6a]2)(CC[5]HH)	C(C[5]C[5]2H)(OC[6a])(H)2	C[5](C[5]O[5]HH)(C[5]N[5]C)(CHHO)(H)	O(C[6a]C[6a]2)(CC[5]HH)	113.0225	0.008	2	113.0225	0.000	2	113.0225	0.000	2	109.4135	8.039	6	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:3:4:1:	3:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:C-4:	C(C[5]C[5]N[5]H)(OC[6a])(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H)	O(C[6a]C[6a]2)(CC[5]HH)	C(C[5]C[5]N[5]H)(OC[6a])(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H){4|H<1>}	O(C[6a]C[6a]2)(CC[5]HH)	107.3133	0.187	3	107.3133	0.035	3	107.3133	0.035	3	109.4135	8.039	6	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:3:4:1:	3:4:	C[5]-4:O-2:H-1:H-1:	N[5]-4:C[5]-3:C-4:H-1:	C-3:C-4:	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](N[5]C[5]HH)(C[5]C[5]H)(CHHO)(H)	O(CC[5,5,6]O)(CC[5]HH)	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](N[5]C[5]HH)(C[5]C[5]H)(CHHO)(H){1|C<4>,2|H<1>}	O(CC[5,5,6]O)(CC[5]HH)	108.4960	0.000	1	108.4960	0.000	1	108.4960	0.000	1	109.4135	8.039	6	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:3:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[3,5]-4:N[5]-3:C-4:H-1:	C-4:C-3:	C(C[5]C[3,5]N[5]H)(OC)(H)2	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]S)(CHHO)(H)	O(CC[5]HH)(CNO)	C(C[5]C[3,5]N[5]H)(OC)(H)2	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]S)(CHHO)(H){3|H<1>}	O(CC[5]HH)(CNO)	108.8685	1.467	2	108.8685	2.153	2	108.8685	2.153	2	108.0531	4.154	21	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:3:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5,6]-3:C-4:H-1:	C-4:C-3:	C(C[5]C[5,5]C[5,6]H)(OC)(H)2	C[5](C[5,5]C[3,5]N[5,5]O)(C[5,6]C[5,6]C[6])(CHHO)(H)	O(CC[5]HH)(CNO)	C(C[5]C[5,5]C[5,6]H)(OC)(H)2	C[5](C[5,5]C[3,5]N[5,5]O)(C[5,6]C[5,6]C[6])(CHHO)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	O(CC[5]HH)(CNO)	103.6930	0.000	1	103.6930	0.000	1	103.6930	0.000	1	108.0531	4.154	21	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:3:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C-4:C-3:	C(C[5]C[5,5]C[5]H)(OC)(H)2	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[5]H)(CHHO)(H)	O(CC[5]HH)(CC[6a]O)	C(C[5]C[5,5]C[5]H)(OC)(H)2	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[5]H)(CHHO)(H){2|C<4>,2|H<1>}	O(CC[5]HH)(CC[6a]O)	107.4570	0.000	1	107.4570	0.000	1	107.4570	0.000	1	108.0531	4.154	21	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:3:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C-4:C-3:	C(C[5]C[5,6]C[5]H)(OC)(H)2	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]H)(CHHO)(H)	O(CC[5]HH)(CC[6a]O)	C(C[5]C[5,6]C[5]H)(OC)(H)2	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]H)(CHHO)(H){2|C<4>,2|H<1>}	O(CC[5]HH)(CC[6a]O)	110.4690	0.000	1	110.4690	0.000	1	110.4690	0.000	1	108.0531	4.154	21	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:3:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:C-3:	C(C[5]C[5]2H)(OC)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]C)(CHHO)(H)	O(CC[5]HH)(CC[6a]O)	C(C[5]C[5]2H)(OC)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]C)(CHHO)(H){1|C<3>,3|H<1>}	O(CC[5]HH)(CC[6a]O)	107.4220	0.000	1	107.4220	0.000	1	108.3273	5.147	3	108.0531	4.154	21	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:3:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:C-3:	C(C[5]C[5]2H)(OC)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]H)(CHHO)(H)	O(CC[5]HH)(CC[6a]O)	C(C[5]C[5]2H)(OC)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]H)(CHHO)(H){3|H<1>}	O(CC[5]HH)(CC[6a]O)	106.6510	0.000	1	106.6510	0.000	1	108.3273	5.147	3	108.0531	4.154	21	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:3:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:C-3:	C(C[5]C[5]2H)(OC)(H)2	C[5](C[5]C[6a]2O[5])(C[5]C[5]C)(CHHO)(H)	O(CC[5]HH)(CCO)	C(C[5]C[5]2H)(OC)(H)2	C[5](C[5]C[6a]2O[5])(C[5]C[5]C)(CHHO)(H){1|C<4>,4|C<3>}	O(CC[5]HH)(CCO)	110.9090	0.000	1	110.9090	0.000	1	108.3273	5.147	3	108.0531	4.154	21	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:3:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:C-3:	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](C[5]C[5,5]HO)(N[5]C[5,5]C)(CHHO)(H)	O(CC[5]HH)(CC[6a]O)	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](C[5]C[5,5]HO)(N[5]C[5,5]C)(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	O(CC[5]HH)(CC[6a]O)	108.4620	0.000	1	108.4620	0.000	1	108.0804	3.983	12	108.0531	4.154	21	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:3:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:C-3:	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]H)(CHHO)(H)	O(CC[5]HH)(CCO)	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]H)(CHHO)(H){1|C<4>,1|H<1>,1|O<1>}	O(CC[5]HH)(CCO)	108.1290	1.963	2	108.1290	3.853	2	108.0804	3.983	12	108.0531	4.154	21	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:3:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:C-3:	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]S)(CHHO)(H)	O(CC[5]HH)(CC[6a]O)	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]S)(CHHO)(H){1|C<3>,2|H<1>}	O(CC[5]HH)(CC[6a]O)	107.6940	0.000	1	107.6940	0.000	1	108.0804	3.983	12	108.0531	4.154	21	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:3:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:C-3:	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H)	O(CC[5]HH)(CC[6a]O)	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H){4|H<1>}	O(CC[5]HH)(CC[6a]O)	107.1250	0.000	1	107.1250	0.000	1	108.0804	3.983	12	108.0531	4.154	21	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:3:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:C-3:	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H)	O(CC[5]HH)(COO)	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H){4|H<1>}	O(CC[5]HH)(COO)	108.6805	0.380	2	108.6805	0.144	2	108.0804	3.983	12	108.0531	4.154	21	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:3:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:C-3:	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHO)(H)	O(CC[5]HH)(CC[6a]O)	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHO)(H){1|C<4>,3|H<1>}	O(CC[5]HH)(CC[6a]O)	104.9260	0.117	2	104.9260	0.014	2	108.0804	3.983	12	108.0531	4.154	21	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:3:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:C-3:	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H)	O(CC[5]HH)(CCO)	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	O(CC[5]HH)(CCO)	111.4980	0.000	1	111.4980	0.000	1	108.0804	3.983	12	108.0531	4.154	21	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:3:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:C-3:	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]H)(CHHO)(H)	O(CC[5]HH)(COO)	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]H)(CHHO)(H){1|H<1>,1|N<2>}	O(CC[5]HH)(COO)	108.1280	0.000	1	108.1280	0.000	1	108.0804	3.983	12	108.0531	4.154	21	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:3:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:C-3:	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]S)(CHHO)(H)	O(CC[5]HH)(CCO)	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]S)(CHHO)(H){1|C<4>,1|O<1>}	O(CC[5]HH)(CCO)	110.5870	0.000	1	110.5870	0.000	1	108.0804	3.983	12	108.0531	4.154	21	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:3:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	N[5]-4:C[5]-3:C-4:H-1:	C-4:C-3:	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](N[5]C[5]HH)(C[5]C[5]H)(CHHO)(H)	O(CC[5]HH)(CCO)	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](N[5]C[5]HH)(C[5]C[5]H)(CHHO)(H){1|C<4>,2|H<1>}	O(CC[5]HH)(CCO)	107.8120	0.000	1	107.8120	0.000	1	107.8120	0.000	1	108.0531	4.154	21	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:3:4:2:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C-4:C-3:	C(C[5]C[5]2O)(OC)(H)2	C[5](C[5]C[5]HO)(C[5]N[5]O)(CHHO)(OC)	O(CC[5]HH)(CCO)	C(C[5]C[5]2O)(OC)(H)2	C[5](C[5]C[5]HO)(C[5]N[5]O)(CHHO)(OC){1|C<3>,1|H<1>,1|O<2>}	O(CC[5]HH)(CCO)	109.1430	0.000	1	109.1430	0.000	1	109.1430	0.000	1	109.1430	0.000	1	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:3:4:3:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C-4:C-3:	C(C[5]C[5]N[5]C)(OC)(H)2	C[5](C[5]C[5]CO)(N[5]C[5]H)(CHHO)(COO)	O(CC[5]HH)(CCO)	C(C[5]C[5]N[5]C)(OC)(H)2	C[5](C[5]C[5]CO)(N[5]C[5]H)(CHHO)(COO){1|C<4>,1|H<1>,1|O<1>}	O(CC[5]HH)(CCO)	104.3550	0.000	1	104.3550	0.000	1	104.3550	0.000	1	104.3550	0.000	1	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:3:4:4:	4:3:	C[5]-4:O-2:H-1:H-1:	C[3x5]-4:C[5]-3:C-4:C-4:	C-4:C-3:	C(C[5]C[3x5]C[5]C)(OC)(H)2	C[5](C[3x5]C[3x5]C[5]O[5])(C[5]C[5]C)(CHHO)(CH3)	O(CC[5]HH)(CCO)	C(C[5]C[3x5]C[5]C)(OC)(H)2	C[5](C[3x5]C[3x5]C[5]O[5])(C[5]C[5]C)(CHHO)(CH3){2|C<3>,2|C<4>,3|H<1>}	O(CC[5]HH)(CCO)	111.3790	0.000	1	111.3790	0.000	1	111.3790	0.000	1	108.6422	7.435	6	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:3:4:4:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:C-3:	C(C[5]C[5]2C)(OC)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]H)(CCHH)(CHHO)	O(CC[5]HH)(CC[6a]O)	C(C[5]C[5]2C)(OC)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]H)(CCHH)(CHHO){1|H<1>,2|O<2>}	O(CC[5]HH)(CC[6a]O)	111.8550	0.000	1	111.8550	0.000	1	108.3107	11.625	3	108.6422	7.435	6	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:3:4:4:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:C-3:	C(C[5]C[5]2C)(OC)(H)2	C[5](C[5]N[5,5a]HH)(C[5]C[5,5a]O)(CHHO)2	O(CC[5]HH)(CC[6a]O)	C(C[5]C[5]2C)(OC)(H)2	C[5](C[5]N[5,5a]HH)(C[5]C[5,5a]O)(CHHO)2{2|C<3>}	O(CC[5]HH)(CC[6a]O)	106.5385	2.099	2	106.5385	4.407	2	108.3107	11.625	3	108.6422	7.435	6	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:3:4:4:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:C-3:	C(C[5]C[5]N[5]C)(OC)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CHHO)2	O(CC[5]HH)(CCO)	C(C[5]C[5]N[5]C)(OC)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CHHO)2{1|C<3>,1|H<1>}	O(CC[5]HH)(CCO)	107.7710	2.141	2	107.7710	4.584	2	107.7710	4.584	2	108.6422	7.435	6	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:4:2:4:	4:3:	C[5]-4:O-2:H-1:H-1:	C[4]-4:C[5]-4:O[5]-2:C-4:	C-4:C-3:	C(C[5]C[4]C[5]O[5])(OC)(H)2	C[5](C[4]C[4]2H)(C[5]C[5]HH)(O[5]C[5])(CHHO)	O(CC[5]HH)(CC[6a]O)	C(C[5]C[4]C[5]O[5])(OC)(H)2	C[5](C[4]C[4]2H)(C[5]C[5]HH)(O[5]C[5])(CHHO){1|O<1>,2|C<4>,5|H<1>}	O(CC[5]HH)(CC[6a]O)	109.4822	1.272	4	109.4822	1.618	4	109.4822	1.618	4	109.4822	1.618	4	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[3x5]-4:C[5]-4:C-4:H-1:	C-4:C-3:	C(C[5]C[3x5]C[5]H)(OC)(H)2	C[5](C[3x5]C[5,5]2N[5])(C[5]C[5]HH)(CHHO)(H)	O(CC[5]HH)(CC[6a]O)	C(C[5]C[3x5]C[5]H)(OC)(H)2	C[5](C[3x5]C[5,5]2N[5])(C[5]C[5]HH)(CHHO)(H){1|C<3>,4|C<4>,4|H<1>}	O(CC[5]HH)(CC[6a]O)	107.3820	0.874	2	107.3820	0.764	2	107.3820	0.764	2	108.0052	2.911	26	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:C-3:	C(C[5]C[5,5]C[5]H)(OC)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CHHO)(H)	O(CC[5]HH)(CC[6a]O)	C(C[5]C[5,5]C[5]H)(OC)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CHHO)(H){2|H<1>,2|O<2>,3|C<4>}	O(CC[5]HH)(CC[6a]O)	106.6610	0.000	1	106.6610	0.000	1	106.6605	0.985	4	108.0052	2.911	26	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:C-3:	C(C[5]C[5,5]C[5]H)(OC)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(CHHO)(H)	O(CC[5]HH)(CC[6a]O)	C(C[5]C[5,5]C[5]H)(OC)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(CC[5]HH)(CC[6a]O)	107.8250	0.000	1	107.8250	0.000	1	106.6605	0.985	4	108.0052	2.911	26	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:C-3:	C(C[5]C[5,5]C[5]H)(OC)(H)2	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(CHHO)(H)	O(CC[5]HH)(CC[6a]O)	C(C[5]C[5,5]C[5]H)(OC)(H)2	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(CHHO)(H){3|C<4>,3|H<1>}	O(CC[5]HH)(CC[6a]O)	106.0780	0.959	2	106.0780	0.919	2	106.6605	0.985	4	108.0052	2.911	26	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:C-3:	C(C[5]C[5,6]C[5]H)(OC)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CHHO)(H)	O(CC[5]HH)(CC[6a]O)	C(C[5]C[5,6]C[5]H)(OC)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CHHO)(H){1|O<2>,2|C<4>,4|H<1>}	O(CC[5]HH)(CC[6a]O)	107.8530	0.000	1	107.8530	0.000	1	108.1071	1.891	8	108.0052	2.911	26	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:C-3:	C(C[5]C[5,6]C[5]H)(OC)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CHHO)(H)	O(CC[5]HH)(CC[6a]O)	C(C[5]C[5,6]C[5]H)(OC)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CHHO)(H){1|C<3>,1|C<4>,5|H<1>}	O(CC[5]HH)(CC[6a]O)	108.1280	0.000	1	108.1280	0.000	1	108.1071	1.891	8	108.0052	2.911	26	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:C-3:	C(C[5]C[5,6]C[5]H)(OC)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(CHHO)(H)	O(CC[5]HH)(CC[6a]O)	C(C[5]C[5,6]C[5]H)(OC)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(CHHO)(H){1|C<4>,2|H<1>,4|C<3>}	O(CC[5]HH)(CC[6a]O)	109.1895	0.634	2	109.1895	0.402	2	108.1071	1.891	8	108.0052	2.911	26	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:C-3:	C(C[5]C[5,6]C[5]H)(OC)(H)2	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(CHHO)(H)	O(CC[5]HH)(CC[6a]O)	C(C[5]C[5,6]C[5]H)(OC)(H)2	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(CHHO)(H){2|C<4>,6|H<1>}	O(CC[5]HH)(CC[6a]O)	106.8580	0.000	1	106.8580	0.000	1	108.1071	1.891	8	108.0052	2.911	26	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:C-3:	C(C[5]C[5,6]C[5]H)(OC)(H)2	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)(CHHO)(H)	O(CC[5]HH)(CC[6a]O)	C(C[5]C[5,6]C[5]H)(OC)(H)2	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)(CHHO)(H){2|H<1>,3|C<3>}	O(CC[5]HH)(CC[6a]O)	110.1280	0.000	1	110.1280	0.000	1	108.1071	1.891	8	108.0052	2.911	26	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:C-3:	C(C[5]C[5,6]C[5]H)(OC)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(CHHO)(H)	O(CC[5]HH)(CC[6a]O)	C(C[5]C[5,6]C[5]H)(OC)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(CHHO)(H){1|C<3>,1|C<4>,4|H<1>}	O(CC[5]HH)(CC[6a]O)	106.7555	1.061	2	106.7555	1.127	2	108.1071	1.891	8	108.0052	2.911	26	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:C-3:	C(C[5]C[5]2H)(OC)(H)2	C[5](C[5]C[5,5]CH)(C[5]O[5]CH)(CHHO)(H)	O(CC[5]HH)(CC[6a]O)	C(C[5]C[5]2H)(OC)(H)2	C[5](C[5]C[5,5]CH)(C[5]O[5]CH)(CHHO)(H){1|C<4>,1|O<2>}	O(CC[5]HH)(CC[6a]O)	112.6650	0.000	1	112.6650	0.000	1	108.5848	4.371	11	108.0052	2.911	26	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:C-3:	C(C[5]C[5]2H)(OC)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CHHO)(H)	O(CC[5]HH)(CC[6a]O)	C(C[5]C[5]2H)(OC)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CHHO)(H){1|H<1>,1|N<2>,2|C<3>}	O(CC[5]HH)(CC[6a]O)	106.6305	0.042	2	106.6305	0.002	2	108.5848	4.371	11	108.0052	2.911	26	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:C-3:	C(C[5]C[5]2H)(OC)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CHHO)(H)	O(CC[5]HH)(CC[6a]O)	C(C[5]C[5]2H)(OC)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CHHO)(H){4|H<1>}	O(CC[5]HH)(CC[6a]O)	109.6540	0.000	1	109.6540	0.000	1	108.5848	4.371	11	108.0052	2.911	26	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:C-3:	C(C[5]C[5]2H)(OC)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CHHO)(H)	O(CC[5]HH)(CCO)	C(C[5]C[5]2H)(OC)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CHHO)(H){1|H<1>,1|O<2>,2|C<4>}	O(CC[5]HH)(CCO)	111.1330	0.000	1	111.1330	0.000	1	108.5848	4.371	11	108.0052	2.911	26	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:C-3:	C(C[5]C[5]2H)(OC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CHHO)(H)	O(CC[5]HH)(CC[6a]O)	C(C[5]C[5]2H)(OC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CHHO)(H){1|C<3>,1|H<1>,1|S<4>}	O(CC[5]HH)(CC[6a]O)	105.4840	0.000	1	105.4840	0.000	1	108.5848	4.371	11	108.0052	2.911	26	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:C-3:	C(C[5]C[5]2H)(OC)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CHHO)(H)	O(CC[5]HH)(CC[6a]O)	C(C[5]C[5]2H)(OC)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CHHO)(H){1|C<3>,1|C<4>}	O(CC[5]HH)(CC[6a]O)	108.5425	1.426	2	108.5425	2.034	2	108.5848	4.371	11	108.0052	2.911	26	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:C-3:	C(C[5]C[5]2H)(OC)(H)2	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CHHO)(H)	O(CC[5]HH)(CC[6a]O)	C(C[5]C[5]2H)(OC)(H)2	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CHHO)(H){1|C<4>,1|H<1>,2|C<3>}	O(CC[5]HH)(CC[6a]O)	108.2990	0.000	1	108.3837	0.005	3	108.5848	4.371	11	108.0052	2.911	26	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:C-3:	C(C[5]C[5]2H)(OC)(H)2	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CHHO)(H)	O(CC[5]HH)(CC[6a]O)	C(C[5]C[5]2H)(OC)(H)2	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CHHO)(H){2|C<3>,2|H<1>}	O(CC[5]HH)(CC[6a]O)	108.4260	0.000	2	108.3837	0.005	3	108.5848	4.371	11	108.0052	2.911	26	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C-4:C-3:	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(CHHO)(H)	O(CC[5]HH)(CC[6a]O)	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(CHHO)(H){2|C<4>,2|H<1>}	O(CC[5]HH)(CC[6a]O)	107.4380	0.000	1	107.4380	0.000	1	107.4380	0.000	1	108.0052	2.911	26	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:4:4:2:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:C-3:	C(C[5]C[5]2O)(OC)(H)2	C[5](C[5]C[5,5]CO)(C[5]C[5]HN)(CHHO)(OH)	O(CC[5]HH)(CC[6a]O)	C(C[5]C[5]2O)(OC)(H)2	C[5](C[5]C[5,5]CO)(C[5]C[5]HN)(CHHO)(OH){1|C<4>,1|H<1>,2|N<2>}	O(CC[5]HH)(CC[6a]O)	108.0250	0.000	1	107.9835	0.003	2	107.9835	0.003	2	107.9835	0.003	2	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:4:4:2:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:C-3:	C(C[5]C[5]2O)(OC)(H)2	C[5](C[5]C[5,5]CO)(C[5]C[5]HN)(CHHO)(OH)	O(CC[5]HH)(CC[6a]O)	C(C[5]C[5]2O)(OC)(H)2	C[5](C[5]C[5,5]CO)(C[5]C[5]HN)(CHHO)(OH){1|C<4>,1|H<1>,2|N<3>}	O(CC[5]HH)(CC[6a]O)	107.9420	0.000	1	107.9835	0.003	2	107.9835	0.003	2	107.9835	0.003	2	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:1:1:	4:4:4:3:	4:3:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-3:	C-4:C-3:	C(C[5]C[5]2C)(OC)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CHHO)(COO)	O(CC[5]HH)(CC[6a]O)	C(C[5]C[5]2C)(OC)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CHHO)(COO){1|H<1>,4|C<3>}	O(CC[5]HH)(CC[6a]O)	105.3550	0.000	1	105.3550	0.000	1	105.3550	0.000	1	105.3550	0.000	1	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:4:4:	3:4:4:1:	3:4:	C[5]-4:O-2:C-4:C-4:	C[5]-3:C[5]-4:C-4:H-1:	C[6a]-3:C-4:	C(C[5]C[5]2H)(OC[6a])(CH3)2	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CCCO)(H)	O(C[6a]C[6a]2)(CC[5]CC)	C(C[5]C[5]2H)(OC[6a])(CH3)2	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CCCO)(H){2|C<3>,3|H<1>}	O(C[6a]C[6a]2)(CC[5]CC)	100.4940	0.000	1	100.4940	0.000	1	100.4940	0.000	1	100.4940	0.000	1	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:2:4:4:	4:4:4:1:	3:4:	C[5]-4:O-2:C-4:C-4:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:C-4:	C(C[5]C[5]2H)(OC[6a])(CH3)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCO)(H)	O(C[6a]C[6a]2)(CC[5]CC)	C(C[5]C[5]2H)(OC[6a])(CH3)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCO)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6a]C[6a]2)(CC[5]CC)	109.2860	1.997	2	109.2860	3.987	2	109.2860	3.987	2	109.2860	3.987	2	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:3:2:1:	3:3:4:1:	4:3:	C[5]-4:C-3:O-2:H-1:	N[5,6,6]-3:C[5]-3:C-4:H-1:	C-4:C-3:	C(C[5]N[5,6,6]C[5]H)(CCH)(OC)(H)	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]C)(CCHO)(H)	O(CC[5]CH)(CC[6a]O)	C(C[5]N[5,6,6]C[5]H)(CCH)(OC)(H)	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]C)(CCHO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|S<2>}	O(CC[5]CH)(CC[6a]O)	114.7620	0.000	1	114.7620	0.000	1	114.7620	0.000	1	114.7620	0.000	1	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:3:2:1:	3:3:4:4:	4:3:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-3:N[5]-3:C-4:C-4:	C-4:C-3:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(OC)(H)	C[5](C[5]O[5]O)(N[5]C[5]C)(CC[6a]HO)(CH3)	O(CC[6a]C[5]H)(COO)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(OC)(H)	C[5](C[5]O[5]O)(N[5]C[5]C)(CC[6a]HO)(CH3){1|C<4>,1|H<1>}	O(CC[6a]C[5]H)(COO)	103.5610	0.000	1	103.5610	0.000	1	103.5610	0.000	1	103.5610	0.000	1	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:3:2:1:	3:4:2:1:	4:3:	C[5]-4:C[6a]-3:O-2:H-1:	N[5]-3:C-4:S[5]-2:H-1:	C-4:C-3:	C(C[5]N[5]S[5]H)(C[6a]C[6a]2)(OC)(H)	C[5](N[5]C[5]C)(CC[6a]HO)(S[5]C[5])(H)	O(CC[6a]C[5]H)(CCO)	C(C[5]N[5]S[5]H)(C[6a]C[6a]2)(OC)(H)	C[5](N[5]C[5]C)(CC[6a]HO)(S[5]C[5])(H){4|H<1>}	O(CC[6a]C[5]H)(CCO)	101.8510	0.000	1	101.8510	0.000	1	101.8510	0.000	1	101.8510	0.000	1	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:3:2:1:	3:4:4:4:	4:3:	C[5]-4:C[6a]-3:O-2:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C-4:C-3:	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(OC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CC[6a]HO)(CH3)	O(CC[6a]C[5]H)(CC[6a]O)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(OC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CC[6a]HO)(CH3){1|H<1>,3|C<3>}	O(CC[6a]C[5]H)(CC[6a]O)	106.3640	0.000	1	106.3640	0.000	1	106.3640	0.000	1	106.3640	0.000	1	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:3:2:1:	4:2:4:1:	4:3:	C[5]-4:C-3:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:C-3:	C(C[5]C[5]O[5]H)(CCO)(OC)(H)	C[5](C[5]O[5]HH)(O[5]C[5,6])(CCHO)(H)	O(CC[5]CH)(CCO)	C(C[5]C[5]O[5]H)(CCO)(OC)(H)	C[5](C[5]O[5]HH)(O[5]C[5,6])(CCHO)(H){2|C<4>}	O(CC[5]CH)(CCO)	110.3730	0.000	1	110.3730	0.000	1	110.3730	0.000	1	110.3730	0.000	1	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:3:2:1:	4:3:4:1:	4:3:	C[5]-4:C-3:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:C-3:	C(C[5]C[5]2H)(CCH)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHO)(H)	O(CC[5]CH)(CCO)	C(C[5]C[5]2H)(CCH)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHO)(H){1|C<4>,3|H<1>}	O(CC[5]CH)(CCO)	109.3110	0.000	1	109.3110	0.000	1	107.8707	1.570	3	107.1337	2.000	6	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:3:2:1:	4:3:4:1:	4:3:	C[5]-4:C-3:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:C-3:	C(C[5]C[5]2H)(CCO)(OC)(H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHO)(H)	O(CC[5]CH)(CCO)	C(C[5]C[5]2H)(CCO)(OC)(H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHO)(H){1|O<1>}	O(CC[5]CH)(CCO)	107.1505	0.170	2	107.1505	0.029	2	107.8707	1.570	3	107.1337	2.000	6	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:3:2:1:	4:3:4:1:	4:3:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:C-3:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OC)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HO)(H)	O(CC[6a]C[5]H)(CC[6a]O)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OC)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HO)(H){1|O<1>,2|H<1>}	O(CC[6a]C[5]H)(CC[6a]O)	107.4010	0.000	1	107.4010	0.000	1	106.3967	1.800	3	107.1337	2.000	6	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:3:2:1:	4:3:4:1:	4:3:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:C-3:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OC)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]HO)(H)	O(CC[6a]C[5]H)(CCO)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OC)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]HO)(H){1|O<1>,2|H<1>}	O(CC[6a]C[5]H)(CCO)	104.8730	0.000	1	104.8730	0.000	1	106.3967	1.800	3	107.1337	2.000	6	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:3:2:1:	4:3:4:1:	4:3:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:C-3:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OC)(H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HO)(H)	O(CC[6a]C[5]H)(CCO)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OC)(H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HO)(H){1|O<1>}	O(CC[6a]C[5]H)(CCO)	106.9160	0.000	1	106.9160	0.000	1	106.3967	1.800	3	107.1337	2.000	6	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:3:2:1:	4:3:4:4:	4:3:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:C-3:	C(C[5]C[5]2C)(C[5]C[5]2)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HO)(CH3)	O(CC[5]2H)(CCO)	C(C[5]C[5]2C)(C[5]C[5]2)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HO)(CH3){1|H<1>}	O(CC[5]2H)(CCO)	104.8340	0.000	1	104.8340	0.000	1	104.8340	0.000	1	104.8340	0.000	1	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:3:2:1:	4:4:2:1:	4:3:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:C-4:O[5]-2:H-1:	C-4:C-3:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OC)(H)	C[5](C[5]C[6a]C[5]H)(CC[6a]HO)(O[5]C[5])(H)	O(CC[6a]C[5]H)(CCO)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OC)(H)	C[5](C[5]C[6a]C[5]H)(CC[6a]HO)(O[5]C[5])(H){1|O<2>,2|C<3>,3|H<1>}	O(CC[6a]C[5]H)(CCO)	108.6240	0.000	1	108.6240	0.000	1	108.6240	0.000	1	108.6240	0.000	1	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:3:2:1:	4:4:4:1:	4:3:	C[5]-4:C-3:O-2:H-1:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C-4:C-3:	C(C[5]C[5,5,6]C[5]H)(CCH)(OC)(H)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]O[5]CH)(CCHO)(H)	O(CC[5]CH)(CCO)	C(C[5]C[5,5,6]C[5]H)(CCH)(OC)(H)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]O[5]CH)(CCHO)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O(CC[5]CH)(CCO)	106.5547	0.722	3	106.5547	0.521	3	106.5547	0.521	3	107.1227	8.748	19	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:3:2:1:	4:4:4:1:	4:3:	C[5]-4:C-3:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:C-3:	C(C[5]C[5]2H)(CCC)(OC)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCHO)(H)	O(CC[5]CH)(CCO)	C(C[5]C[5]2H)(CCC)(OC)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCHO)(H){1|C<4>,1|O<2>,2|H<1>}	O(CC[5]CH)(CCO)	110.3060	0.290	2	107.0229	11.566	11	107.2292	10.352	16	107.1227	8.748	19	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:3:2:1:	4:4:4:1:	4:3:	C[5]-4:C-3:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:C-3:	C(C[5]C[5]2H)(CCC)(OC)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCHO)(H)	O(CC[5]CH)(CCO)	C(C[5]C[5]2H)(CCC)(OC)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCHO)(H){1|C<4>,3|H<1>}	O(CC[5]CH)(CCO)	106.2933	3.340	9	107.0229	11.566	11	107.2292	10.352	16	107.1227	8.748	19	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:3:2:1:	4:4:4:1:	4:3:	C[5]-4:C-3:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:C-3:	C(C[5]C[5]2H)(CCC)(OC)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCHO)(H)	O(CC[5]CH)(CC[6a]O)	C(C[5]C[5]2H)(CCC)(OC)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCHO)(H){1|C<4>,1|O<2>,2|H<1>}	O(CC[5]CH)(CC[6a]O)	110.9740	1.413	2	110.9740	1.996	2	107.2292	10.352	16	107.1227	8.748	19	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:3:2:1:	4:4:4:1:	4:3:	C[5]-4:C-3:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:C-3:	C(C[5]C[5]2H)(CCH)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHO)(H)	O(CC[5]CH)(CC[6a]O)	C(C[5]C[5]2H)(CCH)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHO)(H){4|H<1>}	O(CC[5]CH)(CC[6a]O)	105.5425	0.062	2	105.5425	0.004	2	107.2292	10.352	16	107.1227	8.748	19	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:3:2:1:	4:4:4:1:	4:3:	C[5]-4:C-3:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:C-3:	C(C[5]C[5]2H)(CCH)(OC)(H)	C[5](C[5]C[5]HH)2(CCHO)(H)	O(CC[5]CH)(CCO)	C(C[5]C[5]2H)(CCH)(OC)(H)	C[5](C[5]C[5]HH)2(CCHO)(H){1|C<3>,1|C<4>,1|H<1>}	O(CC[5]CH)(CCO)	105.3820	0.000	1	105.3820	0.000	1	107.2292	10.352	16	107.1227	8.748	19	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:4:2:1:	3:2:4:1:	4:3:	C[5]-4:C-4:O-2:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C-4:C-3:	C(C[5]C[5]O[5]H)(CC[3]CH)(OC)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(CCO)	C(C[5]C[5]O[5]H)(CC[3]CH)(OC)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(H){1|C<4>,1|O<1>}	O(CC[5]CH)(CCO)	105.9560	0.000	1	105.9560	0.000	1	105.2365	1.035	2	106.5507	5.699	3	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:4:2:1:	3:2:4:1:	4:3:	C[5]-4:C-4:O-2:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C-4:C-3:	C(C[5]C[5]O[5]H)(CHHO)(OC)(H)	C[5](C[5]C[5,5]O)(O[5]C[5,5])(CCHO)(H)	O(CC[5]CH)(CCO)	C(C[5]C[5]O[5]H)(CHHO)(OC)(H)	C[5](C[5]C[5,5]O)(O[5]C[5,5])(CCHO)(H){2|H<1>,2|N<3>}	O(CC[5]CH)(CCO)	104.5170	0.000	1	104.5170	0.000	1	105.2365	1.035	2	106.5507	5.699	3	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:4:2:1:	3:2:4:1:	4:3:	C[5]-4:C-4:O-2:H-1:	N[5]-3:S[5]-2:C-4:H-1:	C-4:C-3:	C(C[5]N[5]S[5]H)(CCHN)(OC)(H)	C[5](N[5]C[5]C)(S[5]C[5])(CCHO)(H)	O(CC[5]CH)(CCO)	C(C[5]N[5]S[5]H)(CCHN)(OC)(H)	C[5](N[5]C[5]C)(S[5]C[5])(CCHO)(H){1|C<3>,3|H<1>}	O(CC[5]CH)(CCO)	109.1790	0.000	1	109.1790	0.000	1	109.1790	0.000	1	106.5507	5.699	3	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:4:2:1:	3:2:4:4:	4:3:	C[5]-4:C-4:O-2:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:C-3:	C(C[5]C[5]O[5]C)(CCCH)(OC)(H)	C[5](C[5]N[5]O)(O[5]C[5])(CCHO)(CH3)	O(CC[5]CH)(CCO)	C(C[5]C[5]O[5]C)(CCCH)(OC)(H)	C[5](C[5]N[5]O)(O[5]C[5])(CCHO)(CH3){1|C<3>}	O(CC[5]CH)(CCO)	105.1520	0.000	1	105.1520	0.000	1	105.1520	0.000	1	105.1520	0.000	1	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:4:2:1:	3:3:4:3:	4:3:	C[5]-4:C-4:O-2:H-1:	C[5]-3:N[5]-3:C-4:C-3:	C-4:C-3:	C(C[5]C[5]N[5]C)(CCCH)(OC)(H)	C[5](C[5]C[5]O)(N[5]C[5]H)(CCHO)(COO)	O(CC[5]CH)(COO)	C(C[5]C[5]N[5]C)(CCCH)(OC)(H)	C[5](C[5]C[5]O)(N[5]C[5]H)(CCHO)(COO){1|O<1>,2|C<4>}	O(CC[5]CH)(COO)	104.4805	0.515	2	104.4805	0.266	2	104.4805	0.266	2	104.4805	0.266	2	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:4:2:1:	3:3:4:4:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:C-3:	C(C[5]C[5]2C)(C[5]C[5]2H)(OC)(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HO)(CH3)	O(CC[5]2H)(CCO)	C(C[5]C[5]2C)(C[5]C[5]2H)(OC)(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HO)(CH3){2|H<1>}	O(CC[5]2H)(CCO)	102.0780	0.000	1	102.6285	0.606	2	102.6285	0.606	2	102.6285	0.606	2	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:4:2:1:	3:3:4:4:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:C-3:	C(C[5]C[5]2C)(C[5]C[5]2H)(OC)(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HO)(CH3)	O(CC[5]2H)(CCO)	C(C[5]C[5]2C)(C[5]C[5]2H)(OC)(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HO)(CH3){3|H<1>}	O(CC[5]2H)(CCO)	103.1790	0.000	1	102.6285	0.606	2	102.6285	0.606	2	102.6285	0.606	2	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:3:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:C-3:	C(C[5]C[5]O[5]H)(CCCH)(OC)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(CC[6a]O)	C(C[5]C[5]O[5]H)(CCCH)(OC)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H){2|C<4>}	O(CC[5]CH)(CC[6a]O)	106.0890	0.000	1	106.0890	0.000	1	107.0655	7.389	32	107.0976	7.192	33	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:3:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:C-3:	C(C[5]C[5]O[5]H)(CCCO)(OC)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(CCO)	C(C[5]C[5]O[5]H)(CCCO)(OC)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H){1|C<1>,1|O<1>}	O(CC[5]CH)(CCO)	110.6510	0.000	1	108.1205	8.597	15	107.0655	7.389	32	107.0976	7.192	33	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:3:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:C-3:	C(C[5]C[5]O[5]H)(CCCO)(OC)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(CCO)	C(C[5]C[5]O[5]H)(CCCO)(OC)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H){1|C<3>,1|O<1>}	O(CC[5]CH)(CCO)	108.5383	2.753	12	108.1205	8.597	15	107.0655	7.389	32	107.0976	7.192	33	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:3:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:C-3:	C(C[5]C[5]O[5]H)(CCCO)(OC)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(CCO)	C(C[5]C[5]O[5]H)(CCCO)(OC)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H){1|C<4>,1|H<1>,1|O<1>}	O(CC[5]CH)(CCO)	104.3485	0.193	2	108.1205	8.597	15	107.0655	7.389	32	107.0976	7.192	33	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:3:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:C-3:	C(C[5]C[5]O[5]H)(CCHH)(OC)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(CC[6a]O)	C(C[5]C[5]O[5]H)(CCHH)(OC)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H){1|O<1>,2|H<1>}	O(CC[5]CH)(CC[6a]O)	106.3140	0.000	1	106.3140	0.000	1	107.0655	7.389	32	107.0976	7.192	33	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:3:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:C-3:	C(C[5]C[5]O[5]H)(CCHH)(OC)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(CCO)	C(C[5]C[5]O[5]H)(CCHH)(OC)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,3|H<1>}	O(CC[5]CH)(CCO)	104.9610	0.000	1	104.9610	0.000	1	107.0655	7.389	32	107.0976	7.192	33	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:3:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:C-3:	C(C[5]C[5]O[5]H)(CCHH)(OC)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(CC[6a]O)	C(C[5]C[5]O[5]H)(CCHH)(OC)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,3|H<1>}	O(CC[5]CH)(CC[6a]O)	111.2580	0.000	1	111.2580	0.000	1	107.0655	7.389	32	107.0976	7.192	33	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:3:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:C-3:	C(C[5]C[5]O[5]H)(CCHH)(OC)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(CCO)	C(C[5]C[5]O[5]H)(CCHH)(OC)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>}	O(CC[5]CH)(CCO)	104.5835	3.068	2	104.5835	9.413	2	107.0655	7.389	32	107.0976	7.192	33	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:3:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:C-3:	C(C[5]C[5]O[5]H)(CCHH)(OC)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(CC[6a]O)	C(C[5]C[5]O[5]H)(CCHH)(OC)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>}	O(CC[5]CH)(CC[6a]O)	104.3520	0.000	1	104.3520	0.000	1	107.0655	7.389	32	107.0976	7.192	33	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:3:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:C-3:	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	C[5](C[5]N[5]HH)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(CCO)	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	C[5](C[5]N[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,2|C<3>}	O(CC[5]CH)(CCO)	107.1830	0.000	1	107.1830	0.000	1	107.0655	7.389	32	107.0976	7.192	33	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:3:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:C-3:	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(CCO)	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>}	O(CC[5]CH)(CCO)	107.1760	0.000	1	107.1760	0.000	1	107.0655	7.389	32	107.0976	7.192	33	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:3:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:C-3:	C(C[5]C[5]O[5]H)(CHHO)(OC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	O(CC[5]CH)(CCO)	C(C[5]C[5]O[5]H)(CHHO)(OC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){1|C<4>,1|H<1>,2|O<2>}	O(CC[5]CH)(CCO)	108.5815	1.061	2	106.1840	5.742	6	107.0655	7.389	32	107.0976	7.192	33	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:3:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:C-3:	C(C[5]C[5]O[5]H)(CHHO)(OC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	O(CC[5]CH)(CCO)	C(C[5]C[5]O[5]H)(CHHO)(OC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){1|N<3>,1|O<2>,2|H<1>}	O(CC[5]CH)(CCO)	103.8340	0.000	1	106.1840	5.742	6	107.0655	7.389	32	107.0976	7.192	33	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:3:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:C-3:	C(C[5]C[5]O[5]H)(CHHO)(OC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	O(CC[5]CH)(CCO)	C(C[5]C[5]O[5]H)(CHHO)(OC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){2|H<1>,2|N<3>}	O(CC[5]CH)(CCO)	105.3690	2.070	3	106.1840	5.742	6	107.0655	7.389	32	107.0976	7.192	33	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:3:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:C-3:	C(C[5]C[5]O[5]H)(CHHO)(OC)(H)	C[5](C[5]N[6a]O[5]H)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(CHO)	C(C[5]C[5]O[5]H)(CHHO)(OC)(H)	C[5](C[5]N[6a]O[5]H)(O[5]C[5])(CCHO)(H){2|C<3>,2|C<4>}	O(CC[5]CH)(CHO)	105.5010	0.000	1	105.5010	0.000	1	107.0655	7.389	32	107.0976	7.192	33	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:3:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:C-3:	C(C[5]C[5]O[5]H)(CHHO)(OC)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(CC[6a]O)	C(C[5]C[5]O[5]H)(CHHO)(OC)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>}	O(CC[5]CH)(CC[6a]O)	105.1850	0.000	1	105.1850	0.000	1	107.0655	7.389	32	107.0976	7.192	33	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:3:	C[5]-4:C[6]-4:O-2:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:C-3:	C(C[5]C[5,5]O[5]H)(C[6]C[6a]S[6]2)(OC)(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CC[6]HO)(H)	O(CC[5]C[6]H)(CC[6a]O)	C(C[5]C[5,5]O[5]H)(C[6]C[6a]S[6]2)(OC)(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CC[6]HO)(H){1|C<4>,2|H<1>,2|O<2>}	O(CC[5]C[6]H)(CC[6a]O)	108.1230	0.000	1	108.1230	0.000	1	108.1230	0.000	1	107.0976	7.192	33	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:4:2:1:	4:2:4:2:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C-4:C-3:	C(C[5]C[5]O[5]O)(C[5]C[5]2H)(OC)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CC[5]HO)(OH)	O(CC[5]2H)(CCO)	C(C[5]C[5]O[5]O)(C[5]C[5]2H)(OC)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CC[5]HO)(OH){1|C<4>,3|H<1>}	O(CC[5]2H)(CCO)	107.3960	0.232	4	107.3960	0.054	4	107.3960	0.054	4	107.3960	0.054	4	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:4:2:1:	4:2:4:4:	4:3:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:C-3:	C(C[5]C[5]O[5]C)(CC3)(OC)(H)	C[5](C[5]C[5]CH)(O[5]C[5,5])(CCHH)(CCHO)	O(CC[5]CH)(CCO)	C(C[5]C[5]O[5]C)(CC3)(OC)(H)	C[5](C[5]C[5]CH)(O[5]C[5,5])(CCHH)(CCHO){1|O<1>,2|C<4>}	O(CC[5]CH)(CCO)	107.2590	0.641	2	107.2590	0.410	2	107.8068	1.135	8	107.6050	1.287	13	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:4:2:1:	4:2:4:4:	4:3:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:C-3:	C(C[5]C[5]O[5]C)(CCHH)(OC)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(CH3)	O(CC[5]CH)(CCO)	C(C[5]C[5]O[5]C)(CCHH)(OC)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(CH3){1|C<4>,1|H<1>,1|O<1>}	O(CC[5]CH)(CCO)	108.5010	0.000	1	108.5010	0.000	1	107.8068	1.135	8	107.6050	1.287	13	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:4:2:1:	4:2:4:4:	4:3:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:C-3:	C(C[5]C[5]O[5]C)(CCHH)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5,5])(CCHO)(CH3)	O(CC[5]CH)(CCO)	C(C[5]C[5]O[5]C)(CCHH)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5,5])(CCHO)(CH3){1|H<1>,1|O<2>,2|C<4>}	O(CC[5]CH)(CCO)	109.8110	0.000	1	109.8110	0.000	1	107.8068	1.135	8	107.6050	1.287	13	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:4:2:1:	4:2:4:4:	4:3:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:C-3:	C(C[5]C[5]O[5]C)(CCHH)(OC)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(CCHO)(CH3)	O(CC[5]CH)(CCO)	C(C[5]C[5]O[5]C)(CCHH)(OC)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(CCHO)(CH3){1|C<4>,1|O<1>}	O(CC[5]CH)(CCO)	106.2740	0.000	1	106.2740	0.000	1	107.8068	1.135	8	107.6050	1.287	13	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:4:2:1:	4:2:4:4:	4:3:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:C-3:	C(C[5]C[5]O[5]C)(CC[5,6]HO)(OC)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCCO)(CCHO)	O(CC[5]CH)(CCO)	C(C[5]C[5]O[5]C)(CC[5,6]HO)(OC)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCCO)(CCHO){1|O<1>,2|H<1>}	O(CC[5]CH)(CCO)	107.7833	0.201	3	107.7833	0.041	3	107.8068	1.135	8	107.6050	1.287	13	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:4:2:1:	4:2:4:4:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C-4:C-3:	C(C[5]C[5,6]O[5]C)(C[5]C[5]2O)(OC)(H)	C[5](C[5,6]C[3,6]C[5,6]H)(O[5]C[5])(CC[5]HO)(CH3)	O(CC[5]2H)(CCO)	C(C[5]C[5,6]O[5]C)(C[5]C[5]2O)(OC)(H)	C[5](C[5,6]C[3,6]C[5,6]H)(O[5]C[5])(CC[5]HO)(CH3){3|H<1>,4|C<4>}	O(CC[5]2H)(CCO)	109.5140	0.000	1	109.5140	0.000	1	107.2822	1.664	5	107.6050	1.287	13	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:4:2:1:	4:2:4:4:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C-4:C-3:	C(C[5]C[5,6]O[5]C)(C[5]C[5]2O)(OC)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CC[5]HO)(CH3)	O(CC[5]2H)(CCO)	C(C[5]C[5,6]O[5]C)(C[5]C[5]2O)(OC)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CC[5]HO)(CH3){1|C<3>,3|C<4>,3|H<1>}	O(CC[5]2H)(CCO)	106.6510	0.000	1	106.6510	0.000	1	107.2822	1.664	5	107.6050	1.287	13	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:4:2:1:	4:2:4:4:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C-4:C-3:	C(C[5]C[5,6]O[5]C)(C[5]C[5]2O)(OC)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CC[5]HO)(CH3)	O(CC[5]2H)(CC[6a]O)	C(C[5]C[5,6]O[5]C)(C[5]C[5]2O)(OC)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CC[5]HO)(CH3){1|C<3>,3|C<4>,3|H<1>}	O(CC[5]2H)(CC[6a]O)	106.2240	0.000	1	106.7487	0.212	3	107.2822	1.664	5	107.6050	1.287	13	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:4:2:1:	4:2:4:4:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C-4:C-3:	C(C[5]C[5,6]O[5]C)(C[5]C[5]2O)(OC)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CC[5]HO)(CH3)	O(CC[5]2H)(CC[6a]O)	C(C[5]C[5,6]O[5]C)(C[5]C[5]2O)(OC)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CC[5]HO)(CH3){2|C<3>,2|C<4>,3|H<1>}	O(CC[5]2H)(CC[6a]O)	107.0110	0.107	2	106.7487	0.212	3	107.2822	1.664	5	107.6050	1.287	13	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:4:2:1:	4:3:4:1:	4:3:	C[3]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:C-3:	C(C[3]C[3]O[3]H)(C[5]C[5]2H)(OC)(H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[3]HO)(H)	O(CC[3]C[5]H)(CC[3]O)	C(C[3]C[3]O[3]H)(C[5]C[5]2H)(OC)(H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[3]HO)(H){1|O<1>}	O(CC[3]C[5]H)(CC[3]O)	107.6070	1.389	2	107.6070	1.929	2	107.6070	1.929	2	107.6654	9.515	18	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:4:2:1:	4:3:4:1:	4:3:	C[5]-4:C-4:O-2:H-1:	C[5,5]-4:N[5,6]-3:C-4:H-1:	C-4:C-3:	C(C[5]C[5,5]N[5,6]H)(CH3)(OC)(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C[6])(CCHO)(H)	O(CC[5]CH)(CNO)	C(C[5]C[5,5]N[5,6]H)(CH3)(OC)(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C[6])(CCHO)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O(CC[5]CH)(CNO)	107.0570	0.000	1	107.0570	0.000	1	107.0570	0.000	1	107.6654	9.515	18	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:4:2:1:	4:3:4:1:	4:3:	C[5]-4:C-4:O-2:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C-4:C-3:	C(C[5]C[5,6]C[5]H)(CH3)(OC)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHO)(H)	O(CC[5]CH)(CCO)	C(C[5]C[5,6]C[5]H)(CH3)(OC)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHO)(H){2|C<4>,5|H<1>}	O(CC[5]CH)(CCO)	105.1110	0.272	2	105.1110	0.074	2	105.1110	0.074	2	107.6654	9.515	18	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:4:2:1:	4:3:4:1:	4:3:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:C-3:	C(C[5]C[5]2H)(CCHH)(OC)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHO)(H)	O(CC[5]CH)(CCO)	C(C[5]C[5]2H)(CCHH)(OC)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	O(CC[5]CH)(CCO)	103.5600	0.000	1	105.1660	5.158	2	107.3521	9.296	8	107.6654	9.515	18	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:4:2:1:	4:3:4:1:	4:3:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:C-3:	C(C[5]C[5]2H)(CCHH)(OC)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHO)(H)	O(CC[5]CH)(CCO)	C(C[5]C[5]2H)(CCHH)(OC)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHO)(H){1|H<1>,1|O<1>,2|C<4>}	O(CC[5]CH)(CCO)	106.7720	0.000	1	105.1660	5.158	2	107.3521	9.296	8	107.6654	9.515	18	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:4:2:1:	4:3:4:1:	4:3:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:C-3:	C(C[5]C[5]2H)(CCHH)(OC)(H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHO)(H)	O(CC[5]CH)(CCO)	C(C[5]C[5]2H)(CCHH)(OC)(H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHO)(H){1|O<1>}	O(CC[5]CH)(CCO)	107.3030	3.790	2	107.3030	14.365	2	107.3521	9.296	8	107.6654	9.515	18	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:4:2:1:	4:3:4:1:	4:3:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:C-3:	C(C[5]C[5]2H)(CCHO)(OC)(H)	C[5](C[5]C[6a]S[5]C)(C[5]C[5]N)(CCHO)(H)	O(CC[5]CH)(CCO)	C(C[5]C[5]2H)(CCHO)(OC)(H)	C[5](C[5]C[6a]S[5]C)(C[5]C[5]N)(CCHO)(H){1|N<3>,2|C<3>}	O(CC[5]CH)(CCO)	111.2430	0.178	2	111.2430	0.032	2	107.3521	9.296	8	107.6654	9.515	18	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:4:2:1:	4:3:4:1:	4:3:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:C-3:	C(C[5]C[5]2H)(CC[3]HH)(OC)(H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHO)(H)	O(CC[5]CH)(CCO)	C(C[5]C[5]2H)(CC[3]HH)(OC)(H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHO)(H){1|O<1>}	O(CC[5]CH)(CCO)	105.3840	0.000	1	105.3840	0.000	1	107.3521	9.296	8	107.6654	9.515	18	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:4:2:1:	4:3:4:1:	4:3:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:C-3:	C(C[5]C[5]2H)(CHHO)(OC)(H)	C[5](C[5]C[5]FF)(C[5]C[5]H)(CCHO)(H)	O(CC[5]CH)(CC[6a]O)	C(C[5]C[5]2H)(CHHO)(OC)(H)	C[5](C[5]C[5]FF)(C[5]C[5]H)(CCHO)(H){1|O<2>,2|H<1>}	O(CC[5]CH)(CC[6a]O)	106.0090	0.000	1	106.0090	0.000	1	107.3521	9.296	8	107.6654	9.515	18	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:4:2:1:	4:3:4:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:C-3:	C(C[5]C[5]2C)(C[5]C[5]2H)(OC)(H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[5]HO)(H)	O(CC[5]2H)(CCO)	C(C[5]C[5]2C)(C[5]C[5]2H)(OC)(H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[5]HO)(H){1|O<1>}	O(CC[5]2H)(CCO)	102.4510	0.000	1	102.4510	0.000	1	109.3336	16.639	5	107.6654	9.515	18	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:4:2:1:	4:3:4:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:C-3:	C(C[5]C[5]O[5]O)(C[5]C[5]2H)(OC)(H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[5]HO)(H)	O(CC[5]2H)(CCO)	C(C[5]C[5]O[5]O)(C[5]C[5]2H)(OC)(H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[5]HO)(H){1|O<1>}	O(CC[5]2H)(CCO)	111.0542	1.564	4	111.0542	2.448	4	109.3336	16.639	5	107.6654	9.515	18	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:4:2:1:	4:3:4:3:	4:3:	C[5]-4:C-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C-4:C-3:	C(C[5]C[5]N[5]C)(CCCH)(OC)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHO)(COO)	O(CC[5]CH)(CCO)	C(C[5]C[5]N[5]C)(CCCH)(OC)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHO)(COO){1|O<1>,2|H<1>}	O(CC[5]CH)(CCO)	103.7930	0.000	2	103.7930	0.000	2	103.7930	0.000	2	103.7930	0.000	2	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:4:2:1:	4:3:4:4:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:C-3:	C(C[5]C[5]2C)(C[5]C[5]2H)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HO)(CH3)	O(CC[5]2H)(CCO)	C(C[5]C[5]2C)(C[5]C[5]2H)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HO)(CH3){2|H<1>}	O(CC[5]2H)(CCO)	106.4840	1.988	3	105.7655	4.699	4	105.7655	4.699	4	106.0632	3.967	5	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:4:2:1:	4:3:4:4:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:C-3:	C(C[5]C[5]2C)(C[5]C[5]2H)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HO)(CH3)	O(CC[5]2H)(CCO)	C(C[5]C[5]2C)(C[5]C[5]2H)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HO)(CH3){4|H<1>}	O(CC[5]2H)(CCO)	103.6100	0.000	1	105.7655	4.699	4	105.7655	4.699	4	106.0632	3.967	5	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:4:2:1:	4:3:4:4:	4:3:	C[6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:C-3:	C(C[6]C[4,6]C[6]H)(C[5]C[5]2C)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6]HO)(CCCO)	O(CC[5]C[6]H)(CCO)	C(C[6]C[4,6]C[6]H)(C[5]C[5]2C)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6]HO)(CCCO){1|C<4>,1|H<1>,1|O<2>}	O(CC[5]C[6]H)(CCO)	107.2540	0.000	1	107.2540	0.000	1	107.2540	0.000	1	106.0632	3.967	5	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:4:2:1:	4:4:2:4:	4:3:	C[5]-4:C-4:O-2:H-1:	C[3]-4:C[5]-4:O[5]-2:C-4:	C-4:C-3:	C(C[5]C[3]C[5]O[5])(CC[5,6]HO)(OC)(H)	C[5](C[3]C[3]O[3]C)(C[5]C[5]CH)(O[5]C[5])(CCHO)	O(CC[5]CH)(CCO)	C(C[5]C[3]C[5]O[5])(CC[5,6]HO)(OC)(H)	C[5](C[3]C[3]O[3]C)(C[5]C[5]CH)(O[5]C[5])(CCHO){1|O<1>,4|H<1>}	O(CC[5]CH)(CCO)	105.1830	0.706	2	105.1830	0.498	2	105.1830	0.498	2	105.1830	0.498	2	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:4:2:1:	4:4:4:1:	4:3:	C[3]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:C-3:	C(C[3]C[3]O[3]C)(C[5]C[5]2H)(OC)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[3]HO)(H)	O(CC[3]C[5]H)(CCO)	C(C[3]C[3]O[3]C)(C[5]C[5]2H)(OC)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[3]HO)(H){1|C<4>,3|H<1>}	O(CC[3]C[5]H)(CCO)	107.9110	0.000	1	107.9110	0.000	1	107.9110	0.000	1	106.4317	3.704	33	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:C-3:	C(C[5,6]C[5,6]C[5]C[6])(C[5]C[5]2H)(OC)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[5,6]HO)(H)	O(CC[5,6]C[5]H)(CCO)	C(C[5,6]C[5,6]C[5]C[6])(C[5]C[5]2H)(OC)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[5,6]HO)(H){1|C<4>,1|O<2>,2|H<1>}	O(CC[5,6]C[5]H)(CCO)	105.6230	0.000	1	104.8607	2.151	4	104.5040	2.250	5	106.4317	3.704	33	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:C-3:	C(C[5,6]C[5,6]C[5]C[6])(C[5]C[5]2H)(OC)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[5,6]HO)(H)	O(CC[5,6]C[5]H)(CCO)	C(C[5,6]C[5,6]C[5]C[6])(C[5]C[5]2H)(OC)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[5,6]HO)(H){1|C<4>,3|H<1>}	O(CC[5,6]C[5]H)(CCO)	104.6067	1.685	3	104.8607	2.151	4	104.5040	2.250	5	106.4317	3.704	33	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:C-3:	C(C[5,6]C[5,6]C[5]C[6])(C[5]C[5]2H)(OC)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[5,6]HO)(H)	O(CC[5,6]C[5]H)(CC[6a]O)	C(C[5,6]C[5,6]C[5]C[6])(C[5]C[5]2H)(OC)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[5,6]HO)(H){1|C<4>,3|H<1>}	O(CC[5,6]C[5]H)(CC[6a]O)	103.0770	0.000	1	103.0770	0.000	1	104.5040	2.250	5	106.4317	3.704	33	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5]-4:C-4:O-2:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:C-3:	C(C[5]C[5,5]C[5]H)(CCCO)(OC)(H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HO)(CCHO)(H)	O(CC[5]CH)(CCO)	C(C[5]C[5,5]C[5]H)(CCCO)(OC)(H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HO)(CCHO)(H){1|O<1>,3|C<4>,3|H<1>}	O(CC[5]CH)(CCO)	104.6275	0.012	2	104.6275	0.000	2	105.7817	3.996	3	106.4317	3.704	33	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5]-4:C-4:O-2:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:C-3:	C(C[5]C[5,5]C[5]H)(CH3)(OC)(H)	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]HN)(CCHO)(H)	O(CC[5]CH)(CC[6a]O)	C(C[5]C[5,5]C[5]H)(CH3)(OC)(H)	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]HN)(CCHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(CC[5]CH)(CC[6a]O)	108.0900	0.000	1	108.0900	0.000	1	105.7817	3.996	3	106.4317	3.704	33	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5]-4:C-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:C-3:	C(C[5]C[5,6]C[5]H)(CH3)(OC)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHO)(H)	O(CC[5]CH)(CCO)	C(C[5]C[5,6]C[5]H)(CH3)(OC)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHO)(H){1|F<1>,2|C<4>,4|H<1>}	O(CC[5]CH)(CCO)	106.2463	0.342	4	106.2463	0.117	4	106.3853	3.262	7	106.4317	3.704	33	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5]-4:C-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:C-3:	C(C[5]C[5,6]C[5]H)(CH3)(OC)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHO)(H)	O(CC[5]CH)(CC[6a]O)	C(C[5]C[5,6]C[5]H)(CH3)(OC)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHO)(H){2|C<4>,5|H<1>}	O(CC[5]CH)(CC[6a]O)	105.1215	2.538	2	105.1215	6.440	2	106.3853	3.262	7	106.4317	3.704	33	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5]-4:C-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:C-3:	C(C[5]C[5,6]C[5]H)(CH3)(OC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CCHO)(H)	O(CC[5]CH)(CCO)	C(C[5]C[5,6]C[5]H)(CH3)(OC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CCHO)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(CC[5]CH)(CCO)	109.4690	0.000	1	109.4690	0.000	1	106.3853	3.262	7	106.4317	3.704	33	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:C-3:	C(C[5]C[5]2H)(CCHH)(OC)(H)	C[5](C[5]C[3]O[5]H)(C[5]C[5]CO)(CCHO)(H)	O(CC[5]CH)(CCO)	C(C[5]C[5]2H)(CCHH)(OC)(H)	C[5](C[5]C[3]O[5]H)(C[5]C[5]CO)(CCHO)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(CC[5]CH)(CCO)	107.8360	1.393	2	107.8360	1.940	2	106.4127	1.679	10	106.4317	3.704	33	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:C-3:	C(C[5]C[5]2H)(CCHH)(OC)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHO)(H)	O(CC[5]CH)(CCO)	C(C[5]C[5]2H)(CCHH)(OC)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHO)(H){1|H<1>,1|O<1>,2|C<3>}	O(CC[5]CH)(CCO)	105.8653	0.654	3	105.8653	0.427	3	106.4127	1.679	10	106.4317	3.704	33	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:C-3:	C(C[5]C[5]2H)(CCHH)(OC)(H)	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(CCHO)(H)	O(CC[5]CH)(CCO)	C(C[5]C[5]2H)(CCHH)(OC)(H)	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(CCHO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	O(CC[5]CH)(CCO)	104.8950	0.000	1	104.8950	0.000	1	106.4127	1.679	10	106.4317	3.704	33	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:C-3:	C(C[5]C[5]2H)(CC[3]HH)(OC)(H)	C[5](C[5]C[3]O[5]H)(C[5]C[5]CO)(CCHO)(H)	O(CC[5]CH)(CCO)	C(C[5]C[5]2H)(CC[3]HH)(OC)(H)	C[5](C[5]C[3]O[5]H)(C[5]C[5]CO)(CCHO)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(CC[5]CH)(CCO)	108.2060	0.000	1	108.2060	0.000	1	106.4127	1.679	10	106.4317	3.704	33	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:C-3:	C(C[5]C[5]2H)(CH3)(OC)(H)	C[5](C[5]C[5,5a]CO)(C[5]N[5,5a]CH)(CCHO)(H)	O(CC[5]CH)(CC[6a]O)	C(C[5]C[5]2H)(CH3)(OC)(H)	C[5](C[5]C[5,5a]CO)(C[5]N[5,5a]CH)(CCHO)(H){2|C<3>}	O(CC[5]CH)(CC[6a]O)	105.2940	0.000	1	105.2940	0.000	1	106.4127	1.679	10	106.4317	3.704	33	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:C-3:	C(C[5]C[5]2H)(CH3)(OC)(H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCHO)(H)	O(CC[5]CH)(CC[6a]O)	C(C[5]C[5]2H)(CH3)(OC)(H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCHO)(H){1|O<1>}	O(CC[5]CH)(CC[6a]O)	106.7470	0.000	1	106.7470	0.000	1	106.4127	1.679	10	106.4317	3.704	33	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:C-3:	C(C[5]C[5]2H)(CH3)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCHO)(H)	O(CC[5]CH)(CCO)	C(C[5]C[5]2H)(CH3)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCHO)(H){1|C<4>,3|H<1>}	O(CC[5]CH)(CCO)	105.7170	0.000	1	105.7170	0.000	1	106.4127	1.679	10	106.4317	3.704	33	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:C-3:	C(C[5]C[5]2C)(C[5]C[5]2H)(OC)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CC[5]HO)(H)	O(CC[5]2H)(CCO)	C(C[5]C[5]2C)(C[5]C[5]2H)(OC)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CC[5]HO)(H){1|O<1>}	O(CC[5]2H)(CCO)	108.6255	1.378	6	108.6255	1.898	6	108.6255	1.898	6	106.4317	3.704	33	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5]-4:C[6]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:C-3:	C(C[5]C[5]2H)(C[6]C[6]2H)(OC)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[6]HO)(H)	O(CC[5]C[6]H)(CCO)	C(C[5]C[5]2H)(C[6]C[6]2H)(OC)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[6]HO)(H){1|C<4>,3|H<1>}	O(CC[5]C[6]H)(CCO)	103.8940	0.000	1	103.8940	0.000	1	103.8940	0.000	1	106.4317	3.704	33	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:4:2:1:	4:4:4:2:	4:3:	C-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:C-3:	C(CC[5,6,6]HH)(C[5]C[5]2O)(OC)(H)	C[5](C[5]C[3,5]CC)(C[5]C[3,5]CH)(CCHO)(OH)	O(CC[5]CH)(CCO)	C(CC[5,6,6]HH)(C[5]C[5]2O)(OC)(H)	C[5](C[5]C[3,5]CC)(C[5]C[3,5]CH)(CCHO)(OH){1|O<2>,2|H<1>}	O(CC[5]CH)(CCO)	107.2600	0.000	1	107.2600	0.000	1	107.2600	0.000	1	106.5624	2.081	19	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:4:2:1:	4:4:4:2:	4:3:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:C-3:	C(C[5]C[5]2O)(CCCH)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHO)(OC)	O(CC[5]CH)(CCO)	C(C[5]C[5]2O)(CCCH)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHO)(OC){1|C<4>,1|O<2>,2|H<1>}	O(CC[5]CH)(CCO)	105.8680	0.852	7	105.8680	0.725	7	106.2382	1.628	13	106.5624	2.081	19	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:4:2:1:	4:4:4:2:	4:3:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:C-3:	C(C[5]C[5]2O)(CCCH)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHO)(OH)	O(CC[5]CH)(CCO)	C(C[5]C[5]2O)(CCCH)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHO)(OH){1|C<4>,1|O<2>,2|H<1>}	O(CC[5]CH)(CCO)	105.9955	0.144	2	105.9955	0.021	2	106.2382	1.628	13	106.5624	2.081	19	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:4:2:1:	4:4:4:2:	4:3:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:C-3:	C(C[5]C[5]2O)(CC[5,6]HH)(OC)(H)	C[5](C[5]C[3,5]CC)(C[5]C[3,5]CH)(CCHO)(OH)	O(CC[5]CH)(CCO)	C(C[5]C[5]2O)(CC[5,6]HH)(OC)(H)	C[5](C[5]C[3,5]CC)(C[5]C[3,5]CH)(CCHO)(OH){1|O<2>,2|H<1>}	O(CC[5]CH)(CCO)	106.1210	1.073	3	106.1210	1.151	3	106.2382	1.628	13	106.5624	2.081	19	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:4:2:1:	4:4:4:2:	4:3:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:C-3:	C(C[5]C[5]2O)(CC[5,6]HH)(OC)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHO)(OH)	O(CC[5]CH)(CCO)	C(C[5]C[5]2O)(CC[5,6]HH)(OC)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHO)(OH){2|H<1>,2|O<2>}	O(CC[5]CH)(CCO)	109.6660	0.000	1	109.6660	0.000	1	106.2382	1.628	13	106.5624	2.081	19	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:4:2:1:	4:4:4:2:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:C-3:	C(C[5]C[5,6]O[5]C)(C[5]C[5]2O)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HO)(OC)	O(CC[5]2H)(CCO)	C(C[5]C[5,6]O[5]C)(C[5]C[5]2O)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HO)(OC){1|C<4>,1|H<1>,2|O<2>}	O(CC[5]2H)(CCO)	106.8460	0.000	1	106.8460	0.000	1	107.2658	3.397	5	106.5624	2.081	19	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:4:2:1:	4:4:4:2:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:C-3:	C(C[5]C[5,6]O[5]C)(C[5]C[5]2O)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HO)(OC)	O(CC[5]2H)(CC[6a]O)	C(C[5]C[5,6]O[5]C)(C[5]C[5]2O)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HO)(OC){1|C<4>,1|O<2>,2|H<1>}	O(CC[5]2H)(CC[6a]O)	108.4123	0.417	3	108.4123	0.174	3	107.2658	3.397	5	106.5624	2.081	19	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:4:2:1:	4:4:4:2:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:C-3:	C(C[5]C[5,6]O[5]C)(C[5]C[5]2O)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HO)(OH)	O(CC[5]2H)(CCO)	C(C[5]C[5,6]O[5]C)(C[5]C[5]2O)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HO)(OH){1|C<4>,1|O<2>,2|H<1>}	O(CC[5]2H)(CCO)	104.2460	0.000	1	104.2460	0.000	1	107.2658	3.397	5	106.5624	2.081	19	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:4:2:1:	4:4:4:4:	4:3:	C[5]-4:C-4:O-2:H-1:	C[5,5]-4:C[5]-4:C-4:C-4:	C-4:C-3:	C(C[5]C[5,5]C[5]C)(CCHH)(OC)(H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(CCHH)(CCHO)	O(CC[5]CH)(CC[6a]O)	C(C[5]C[5,5]C[5]C)(CCHH)(OC)(H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(CCHH)(CCHO){2|C<4>,4|H<1>}	O(CC[5]CH)(CC[6a]O)	107.4230	0.000	1	107.4230	0.000	1	107.4230	0.000	1	109.0675	5.409	2	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP2_SP3	C	C[5]	O	4:4:2:1:	4:4:4:4:	4:3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:C-3:	C(C[5]C[5]2C)(C[5]C[5]2H)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CC[5]HO)(CH3)	O(CC[5]2H)(CCO)	C(C[5]C[5]2C)(C[5]C[5]2H)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CC[5]HO)(CH3){1|O<2>,3|H<1>}	O(CC[5]2H)(CCO)	110.7120	0.000	1	110.7120	0.000	1	110.7120	0.000	1	109.0675	5.409	2	107.6485	5.478	449	107.6280	5.383	488
490	474	893	0:SP3_SP3_SP3	C	C[3x5,6]	O	4:2:1:1:	4:4:2:4:	4:1:	C[3x5,6]-4:O-2:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:O[5,5]-2:C-4:	C-4:H-1:	C(C[3x5,6]C[5,5,6]2O[5,5])(OH)(H)2	C[3x5,6](C[5,5,6]C[5,6,6]C[5]C)(C[5,5,6]O[5,6]C[5]H)(O[5,5]C[5,5,6,6])(CHHO)	O(CC[3x5,6]HH)(H)	C(C[3x5,6]C[5,5,6]2O[5,5])(OH)(H)2	C[3x5,6](C[5,5,6]C[5,6,6]C[5]C)(C[5,5,6]O[5,6]C[5]H)(O[5,5]C[5,5,6,6])(CHHO){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(CC[3x5,6]HH)(H)	112.2850	1.246	2	112.2850	1.552	2	112.2850	1.552	2	112.2850	1.552	2	112.2850	1.552	2	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,5,6]	O	4:2:1:1:	3:2:3:4:	4:4:	C[5,5,6]-4:O-2:H-1:H-1:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C-4:	C-4:Si-4:	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(OSi)(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CHHO)	O(CC[5,5,6]HH)(SiC3)	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(OSi)(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CHHO){2|C<3>,3|H<1>}	O(CC[5,5,6]HH)(SiC3)	111.8850	0.000	1	111.8850	0.000	1	111.8850	0.000	1	111.8850	0.000	1	109.8335	4.158	46	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,5,6]	O	4:2:1:1:	3:4:2:4:	4:1:	C[5,5,6]-4:O-2:H-1:H-1:	C[5,5a,6]-3:C[5,5]-4:O[5,6]-2:C-4:	C-4:H-1:	C(C[5,5,6]C[5,5a,6]C[5,5]O[5,6])(OH)(H)2	C[5,5,6](C[5,5a,6]N[5,5a,6]C[5a])(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(CHHO)	O(CC[5,5,6]HH)(H)	C(C[5,5,6]C[5,5a,6]C[5,5]O[5,6])(OH)(H)2	C[5,5,6](C[5,5a,6]N[5,5a,6]C[5a])(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(CHHO){1|N<3>,2|N<2>,3|H<1>}	O(CC[5,5,6]HH)(H)	108.1670	0.000	1	108.1670	0.000	1	108.6680	0.502	2	108.6680	0.502	2	109.8335	4.158	46	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,5,6]	O	4:2:1:1:	3:4:2:4:	4:1:	C[5,5,6]-4:O-2:H-1:H-1:	C[5,5a,6]-3:C[5,5]-4:O[5,6]-2:C-4:	C-4:H-1:	C(C[5,5,6]C[5,5a,6]C[5,5]O[5,6])(OH)(H)2	C[5,5,6](C[5,5a,6]N[5,5a,6]N[5a])(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(CHHO)	O(CC[5,5,6]HH)(H)	C(C[5,5,6]C[5,5a,6]C[5,5]O[5,6])(OH)(H)2	C[5,5,6](C[5,5a,6]N[5,5a,6]N[5a])(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(CHHO){1|N<3>,2|H<1>,2|N<2>}	O(CC[5,5,6]HH)(H)	109.1690	0.000	1	109.1690	0.000	1	108.6680	0.502	2	108.6680	0.502	2	109.8335	4.158	46	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,5,6]	O	4:2:1:1:	3:4:4:4:	4:1:	C[5,5,6]-4:O-2:H-1:H-1:	N[5,5]-3:C[5,6]-4:C[5,6]-4:C-4:	C-4:H-1:	C(C[5,5,6]C[5,6]2N[5,5])(OH)(H)2	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(CHHO)	O(CC[5,5,6]HH)(H)	C(C[5,5,6]C[5,6]2N[5,5])(OH)(H)2	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(CHHO){5|H<1>}	O(CC[5,5,6]HH)(H)	114.4700	1.525	2	114.4700	2.324	2	114.4700	2.324	2	114.4700	2.324	2	109.8335	4.158	46	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,5,6]	O	4:2:1:1:	3:4:4:4:	4:4:	C[5,5,6]-4:O-2:H-1:H-1:	N[5,5]-3:C[5,6]-4:C[5,6]-4:C-4:	C-4:C-4:	C(C[5,5,6]C[5,6]2N[5,5])(OC)(H)2	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(CHHO)	O(CC[5,5,6]HH)(CH3)	C(C[5,5,6]C[5,6]2N[5,5])(OC)(H)2	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(CHHO){5|H<1>}	O(CC[5,5,6]HH)(CH3)	109.1533	0.902	6	109.1533	0.814	6	108.3931	3.051	9	108.3931	3.051	9	109.8335	4.158	46	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,5,6]	O	4:2:1:1:	3:4:4:4:	4:4:	C[5,5,6]-4:O-2:H-1:H-1:	N[5,5]-3:C[5,6]-4:C[5,6]-4:C-4:	C-4:C-4:	C(C[5,5,6]C[5,6]2N[5,5])(OC)(H)2	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(CHHO)	O(CC[5,5,6]HH)(CH3)	C(C[5,5,6]C[5,6]2N[5,5])(OC)(H)2	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(CHHO){1|C<3>,4|H<1>}	O(CC[5,5,6]HH)(CH3)	106.8727	2.228	3	106.8727	4.965	3	108.3931	3.051	9	108.3931	3.051	9	109.8335	4.158	46	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,5,6]	O	4:2:1:1:	4:2:3:4:	4:1:	C[5,5,6]-4:O-2:H-1:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C-4:H-1:	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(OH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CHHO)	O(CC[5,5,6]HH)(H)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(OH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CHHO){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	O(CC[5,5,6]HH)(H)	110.2100	1.870	4	110.4483	2.816	6	110.4483	2.816	6	110.4483	2.816	6	109.8335	4.158	46	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,5,6]	O	4:2:1:1:	4:2:3:4:	4:1:	C[5,5,6]-4:O-2:H-1:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C-4:H-1:	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(OH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CHHO)	O(CC[5,5,6]HH)(H)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(OH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CHHO){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	O(CC[5,5,6]HH)(H)	110.9250	1.704	2	110.4483	2.816	6	110.4483	2.816	6	110.4483	2.816	6	109.8335	4.158	46	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,5,6]	O	4:2:1:1:	4:4:2:4:	4:1:	C[5,5,6]-4:O-2:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:C-4:	C-4:H-1:	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(OH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CHHO)	O(CC[5,5,6]HH)(H)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(OH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CHHO){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	O(CC[5,5,6]HH)(H)	111.9470	0.868	2	111.9470	0.754	2	111.9470	0.754	2	110.4589	5.021	9	109.8335	4.158	46	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,5,6]	O	4:2:1:1:	4:4:2:4:	4:1:	C[5,5,6]-4:O-2:H-1:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-4:	C-4:H-1:	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HN)(C[5,6]O[5,6]HH)(O[5,6]C[5,6])(CHHO)	O(CC[5,5,6]HH)(H)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HN)(C[5,6]O[5,6]HH)(O[5,6]C[5,6])(CHHO){1|N<3>,2|H<1>}	O(CC[5,5,6]HH)(H)	106.2740	0.000	1	106.2740	0.000	1	110.0337	5.620	7	110.4589	5.021	9	109.8335	4.158	46	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,5,6]	O	4:2:1:1:	4:4:2:4:	4:1:	C[5,5,6]-4:O-2:H-1:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-4:	C-4:H-1:	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]N[5,6]HH)(O[5,6]C[5,6])(CHHO)	O(CC[5,5,6]HH)(H)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]N[5,6]HH)(O[5,6]C[5,6])(CHHO){1|C<3>,1|N<3>,2|H<1>}	O(CC[5,5,6]HH)(H)	109.4660	0.000	1	109.4660	0.000	1	110.0337	5.620	7	110.4589	5.021	9	109.8335	4.158	46	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,5,6]	O	4:2:1:1:	4:4:2:4:	4:1:	C[5,5,6]-4:O-2:H-1:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-4:	C-4:H-1:	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]CH)(O[5,6]C[5,6])(CHHO)	O(CC[5,5,6]HH)(H)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]CH)(O[5,6]C[5,6])(CHHO){1|N<3>,2|H<1>}	O(CC[5,5,6]HH)(H)	111.6550	0.000	1	111.6550	0.000	1	110.0337	5.620	7	110.4589	5.021	9	109.8335	4.158	46	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,5,6]	O	4:2:1:1:	4:4:2:4:	4:1:	C[5,5,6]-4:O-2:H-1:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-4:	C-4:H-1:	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]HH)(O[5,6]C[5,6])(CHHO)	O(CC[5,5,6]HH)(H)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]HH)(O[5,6]C[5,6])(CHHO){1|C<3>,2|H<1>}	O(CC[5,5,6]HH)(H)	110.0700	0.000	1	110.7103	4.934	4	110.0337	5.620	7	110.4589	5.021	9	109.8335	4.158	46	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,5,6]	O	4:2:1:1:	4:4:2:4:	4:1:	C[5,5,6]-4:O-2:H-1:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-4:	C-4:H-1:	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]HH)(O[5,6]C[5,6])(CHHO)	O(CC[5,5,6]HH)(H)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]HH)(O[5,6]C[5,6])(CHHO){1|N<3>,2|H<1>}	O(CC[5,5,6]HH)(H)	110.9237	2.670	3	110.7103	4.934	4	110.0337	5.620	7	110.4589	5.021	9	109.8335	4.158	46	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,5,6]	O	4:2:1:1:	4:4:2:4:	4:4:	C[5,5,6]-4:O-2:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:C-4:	C-4:C-4:	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(OC)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CHHO)	O(CC[5,5,6]HH)(CH3)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(OC)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CHHO){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	O(CC[5,5,6]HH)(CH3)	109.2245	0.535	2	109.2245	0.287	2	109.2245	0.287	2	109.7090	0.817	4	109.8335	4.158	46	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,5,6]	O	4:2:1:1:	4:4:2:4:	4:4:	C[5,5,6]-4:O-2:H-1:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-4:	C-4:S-4:	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OS)(H)2	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]HH)(O[5,6]C[5,6])(CHHO)	O(CC[5,5,6]HH)(SCOO)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OS)(H)2	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]HH)(O[5,6]C[5,6])(CHHO){1|C<4>,1|H<1>,1|N<3>}	O(CC[5,5,6]HH)(SCOO)	109.4110	0.000	1	109.4110	0.000	1	109.4110	0.000	1	109.7090	0.817	4	109.8335	4.158	46	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,5,6]	O	4:2:1:1:	4:4:2:4:	4:4:	C[5,5,6]-4:O-2:H-1:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-4:	C-4:Si-4:	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OSi)(H)2	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(CHHO)	O(CC[5,5,6]HH)(SiC3)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OSi)(H)2	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(CHHO){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O(CC[5,5,6]HH)(SiC3)	110.9760	0.000	1	110.9760	0.000	1	110.9760	0.000	1	109.7090	0.817	4	109.8335	4.158	46	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,5,6]	O	4:2:1:1:	4:4:3:4:	4:1:	C[5,5,6]-4:O-2:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C-4:	C-4:H-1:	C(C[5,5,6]C[5,5,6]2C[5])(OH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(CHHO)	O(CC[5,5,6]HH)(H)	C(C[5,5,6]C[5,5,6]2C[5])(OH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(CHHO){1|C<4>,1|O<1>,4|H<1>}	O(CC[5,5,6]HH)(H)	108.0640	0.000	1	108.0640	0.000	1	108.0640	0.000	1	108.0640	0.000	1	109.8335	4.158	46	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,5,6]	O	4:2:1:1:	4:4:4:4:	4:4:	C[5,5,6]-4:O-2:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C-4:Si-4:	C(C[5,5,6]C[5,5]C[5,6]2)(OSi)(H)2	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]C[5,5,6]HO)(C[5,6]C[5,6]HH)(CHHO)	O(CC[5,5,6]HH)(SiC3)	C(C[5,5,6]C[5,5]C[5,6]2)(OSi)(H)2	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]C[5,5,6]HO)(C[5,6]C[5,6]HH)(CHHO){2|C<4>,3|H<1>}	O(CC[5,5,6]HH)(SiC3)	110.0245	0.657	2	110.0245	0.432	2	110.0245	0.432	2	110.2360	0.350	3	109.8335	4.158	46	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,5,6]	O	4:2:1:1:	4:4:4:4:	4:4:	C[5,5,6]-4:O-2:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C-4:Si-4:	C(C[5,5,6]C[5,6,6]C[5,5]C[5,6])(OSi)(H)2	C[5,5,6](C[5,6,6]C[5,5,6,6]O[6]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(CHHO)	O(CC[5,5,6]HH)(SiC3)	C(C[5,5,6]C[5,6,6]C[5,5]C[5,6])(OSi)(H)2	C[5,5,6](C[5,6,6]C[5,5,6,6]O[6]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(CHHO){3|C<4>,3|H<1>}	O(CC[5,5,6]HH)(SiC3)	110.6590	0.000	1	110.6590	0.000	1	110.6590	0.000	1	110.2360	0.350	3	109.8335	4.158	46	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,5,6]	O	4:3:3:2:	4:4:3:4:	4:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:O-2:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C-4:H-1:	C(C[5,5,6]C[5,5]C[5,6]2)(C[6a]C[6a]2)2(OH)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CC[6a]2O)	O(CC[5,5,6]C[6a]2)(H)	C(C[5,5,6]C[5,5]C[5,6]2)(C[6a]C[6a]2)2(OH)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CC[6a]2O){5|H<1>}	O(CC[5,5,6]C[6a]2)(H)	109.2430	0.000	1	109.2430	0.000	1	109.2430	0.000	1	109.2430	0.000	1	109.8335	4.158	46	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,5,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,5,6]-4:C-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C-4:H-1:	C(C[5,5,6]C[5,5]C[5,6]2)(CH3)(OH)(H)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CCHO)	O(CC[5,5,6]CH)(H)	C(C[5,5,6]C[5,5]C[5,6]2)(CH3)(OH)(H)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CCHO){5|H<1>}	O(CC[5,5,6]CH)(H)	111.8810	0.222	2	111.8810	0.049	2	111.8810	0.049	2	111.8810	0.049	2	109.8335	4.158	46	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,5,6]	O	4:4:4:2:	4:4:2:4:	4:1:	C[5,5,6]-4:C-4:C-4:O-2:	C[5,6]-4:C[5,6]-4:O[5,5]-2:C-4:	C-4:H-1:	C(C[5,5,6]C[5,6]2O[5,5])(CCHH)(CH3)(OH)	C[5,5,6](C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CCCO)	O(CC[5,5,6]CC)(H)	C(C[5,5,6]C[5,6]2O[5,5])(CCHH)(CH3)(OH)	C[5,5,6](C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CCCO){1|C<4>,1|N<3>,3|H<1>}	O(CC[5,5,6]CC)(H)	108.6735	0.302	2	108.9404	0.153	5	108.9404	0.153	5	108.9404	0.153	5	109.8335	4.158	46	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,5,6]	O	4:4:4:2:	4:4:2:4:	4:1:	C[5,5,6]-4:C-4:C-4:O-2:	C[5,6]-4:C[5,6]-4:O[5,5]-2:C-4:	C-4:H-1:	C(C[5,5,6]C[5,6]2O[5,5])(CCHH)(CH3)(OH)	C[5,5,6](C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CCCO)	O(CC[5,5,6]CC)(H)	C(C[5,5,6]C[5,6]2O[5,5])(CCHH)(CH3)(OH)	C[5,5,6](C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CCCO){1|C<4>,1|O<2>,3|H<1>}	O(CC[5,5,6]CC)(H)	109.1183	0.376	3	108.9404	0.153	5	108.9404	0.153	5	108.9404	0.153	5	109.8335	4.158	46	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,5,6]	O	4:4:4:2:	4:4:3:4:	4:1:	C[5,5,6]-4:C-4:C-4:O-2:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C-4:H-1:	C(C[5,5,6]C[5,5]C[5,6]2)(CCHH)(CH3)(OH)	C[5,5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]H)(CCCO)	O(CC[5,5,6]CC)(H)	C(C[5,5,6]C[5,5]C[5,6]2)(CCHH)(CH3)(OH)	C[5,5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]H)(CCCO){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O(CC[5,5,6]CC)(H)	106.5090	0.000	1	106.5090	0.000	1	106.5090	0.000	1	106.5090	0.000	1	109.8335	4.158	46	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,5]	O	4:2:1:1:	3:3:4:4:	4:1:	C[5,5]-4:O-2:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[3,5,5]-4:C-4:	C-4:H-1:	C(C[5,5]C[3,5,5]C[5,6a]2)(OH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2C)(CHHO)	O(CC[5,5]HH)(H)	C(C[5,5]C[3,5,5]C[5,6a]2)(OH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2C)(CHHO){3|H<1>,5|C<3>}	O(CC[5,5]HH)(H)	110.4540	0.000	1	110.4540	0.000	1	110.4540	0.000	1	110.4540	0.000	1	109.8690	6.818	42	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,5]	O	4:2:1:1:	3:4:4:4:	4:1:	C[5,5]-4:O-2:H-1:H-1:	N[5,5,6]-3:C[5]-4:C[5]-4:C-4:	C-4:H-1:	C(C[5,5]N[5,5,6]C[5]2)(OH)(H)2	C[5,5](N[5,5,6]C[5,6]2)(C[5]O[5]HH)2(CHHO)	O(CC[5,5]HH)(H)	C(C[5,5]N[5,5,6]C[5]2)(OH)(H)2	C[5,5](N[5,5,6]C[5,6]2)(C[5]O[5]HH)2(CHHO){2|C<4>,2|H<1>}	O(CC[5,5]HH)(H)	107.1330	0.000	1	107.1330	0.000	1	107.1330	0.000	1	110.2745	19.738	2	109.8690	6.818	42	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,5]	O	4:2:1:1:	3:4:4:4:	4:1:	C[5,5]-4:O-2:H-1:H-1:	N[5,6]-3:C[5,5]-4:C[5]-4:C-4:	C-4:H-1:	C(C[5,5]C[5,5]N[5,6]C[5])(OH)(H)2	C[5,5](N[5,6]C[5,6]C[6])(C[5,5]C[5]2O)(C[5]C[5,5]HH)(CHHO)	O(CC[5,5]HH)(H)	C(C[5,5]C[5,5]N[5,6]C[5])(OH)(H)2	C[5,5](N[5,6]C[5,6]C[6])(C[5,5]C[5]2O)(C[5]C[5,5]HH)(CHHO){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	O(CC[5,5]HH)(H)	113.4160	0.000	1	113.4160	0.000	1	113.4160	0.000	1	110.2745	19.738	2	109.8690	6.818	42	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,5]	O	4:2:1:1:	4:2:2:4:	4:1:	C[5,5]-4:O-2:H-1:H-1:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	C-4:H-1:	C(C[5,5]C[5,5]O[5]2)(OH)(H)2	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(CHHO)	O(CC[5,5]HH)(H)	C(C[5,5]C[5,5]O[5]2)(OH)(H)2	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(CHHO){1|O<2>,2|H<1>,3|C<4>}	O(CC[5,5]HH)(H)	112.1210	0.000	1	112.1210	0.000	1	110.3240	6.458	2	110.3240	6.458	2	109.8690	6.818	42	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,5]	O	4:2:1:1:	4:2:2:4:	4:1:	C[5,5]-4:O-2:H-1:H-1:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	C-4:H-1:	C(C[5,5]C[5,5]O[5]2)(OH)(H)2	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(CHHO)	O(CC[5,5]HH)(H)	C(C[5,5]C[5,5]O[5]2)(OH)(H)2	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(CHHO){1|O<2>,2|H<1>,3|C<4>}	O(CC[5,5]HH)(H)	108.5270	0.000	1	108.5270	0.000	1	110.3240	6.458	2	110.3240	6.458	2	109.8690	6.818	42	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,5]	O	4:2:1:1:	4:2:2:4:	4:4:	C[5,5]-4:O-2:H-1:H-1:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	C-4:C-4:	C(C[5,5]C[5,5]O[5]2)(OC)(H)2	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(CHHO)	O(CC[5,5]HH)(CC[6a]HH)	C(C[5,5]C[5,5]O[5]2)(OC)(H)2	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(CHHO){1|O<2>,2|H<1>,3|C<4>}	O(CC[5,5]HH)(CC[6a]HH)	111.1140	0.000	1	111.1140	0.000	1	111.1140	0.000	1	111.1140	0.000	1	109.8690	6.818	42	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,5]	O	4:2:1:1:	4:3:2:4:	4:1:	C[5,5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-3:O[5]-2:C-4:	C-4:H-1:	C(C[5,5]C[5,5]C[5]O[5])(OH)(H)2	C[5,5](C[5,5]C[5]2O)(C[5]O[5]O)(O[5]C[5])(CHHO)	O(CC[5,5]HH)(H)	C(C[5,5]C[5,5]C[5]O[5])(OH)(H)2	C[5,5](C[5,5]C[5]2O)(C[5]O[5]O)(O[5]C[5])(CHHO){1|O<2>,5|H<1>}	O(CC[5,5]HH)(H)	110.3810	0.000	1	110.3810	0.000	1	111.2045	1.356	2	111.2045	1.356	2	109.8690	6.818	42	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,5]	O	4:2:1:1:	4:3:2:4:	4:1:	C[5,5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-3:O[5]-2:C-4:	C-4:H-1:	C(C[5,5]C[5,5]C[5]O[5])(OH)(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(O[5]C[5])(CHHO)	O(CC[5,5]HH)(H)	C(C[5,5]C[5,5]C[5]O[5])(OH)(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(O[5]C[5])(CHHO){1|H<1>,3|C<4>}	O(CC[5,5]HH)(H)	112.0280	0.000	1	112.0280	0.000	1	111.2045	1.356	2	111.2045	1.356	2	109.8690	6.818	42	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,5]	O	4:2:1:1:	4:3:2:4:	4:4:	C[5,5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-3:O[5]-2:C-4:	C-4:C-4:	C(C[5,5]C[5,5]C[5]O[5])(OC)(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(O[5]C[5])(CHHO)	O(CC[5,5]HH)(CC[6a]HH)	C(C[5,5]C[5,5]C[5]O[5])(OC)(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(O[5]C[5])(CHHO){1|H<1>,3|C<4>}	O(CC[5,5]HH)(CC[6a]HH)	104.8655	0.177	2	104.8655	0.032	2	104.8655	0.032	2	105.5660	1.488	3	109.8690	6.818	42	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,5]	O	4:2:1:1:	4:3:2:4:	4:4:	C[5,5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-3:O[5]-2:C-4:	C-4:S-4:	C(C[5,5]C[5,5]C[5]O[5])(OS)(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(O[5]C[5])(CHHO)	O(CC[5,5]HH)(SCOO)	C(C[5,5]C[5,5]C[5]O[5])(OS)(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(O[5]C[5])(CHHO){1|H<1>,3|C<4>}	O(CC[5,5]HH)(SCOO)	106.9670	0.000	1	106.9670	0.000	1	106.9670	0.000	1	105.5660	1.488	3	109.8690	6.818	42	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,5]	O	4:2:1:1:	4:4:2:4:	4:1:	C[5,5]-4:O-2:H-1:H-1:	C[5,5,6]-4:C[5]-4:O[5]-2:C-4:	C-4:H-1:	C(C[5,5]C[5,5,6]C[5]O[5])(OH)(H)2	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]O[5]HH)(O[5]C[5,6])(CHHO)	O(CC[5,5]HH)(H)	C(C[5,5]C[5,5,6]C[5]O[5])(OH)(H)2	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]O[5]HH)(O[5]C[5,6])(CHHO){1|O<1>,3|C<4>,4|H<1>}	O(CC[5,5]HH)(H)	109.3930	0.000	1	109.3930	0.000	1	109.3930	0.000	1	111.4477	2.339	6	109.8690	6.818	42	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,5]	O	4:2:1:1:	4:4:2:4:	4:1:	C[5,5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:N[5]-2:C-4:	C-4:H-1:	C(C[5,5]C[5,5]C[5]N[5])(OH)(H)2	C[5,5](C[5,5]O[5]2C)(C[5]C[5]HH)(N[5]C[5])(CHHO)	O(CC[5,5]HH)(H)	C(C[5,5]C[5,5]C[5]N[5])(OH)(H)2	C[5,5](C[5,5]O[5]2C)(C[5]C[5]HH)(N[5]C[5])(CHHO){1|C<3>,1|C<4>,1|H<1>}	O(CC[5,5]HH)(H)	113.5530	0.000	1	113.5530	0.000	1	113.5530	0.000	1	111.4477	2.339	6	109.8690	6.818	42	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,5]	O	4:2:1:1:	4:4:2:4:	4:1:	C[5,5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C-4:H-1:	C(C[5,5]C[5,5]C[5]O[5])(OH)(H)2	C[5,5](C[5,5]C[5,6]C[5]C)(C[5]C[5]HO)(O[5]C[5,6])(CHHO)	O(CC[5,5]HH)(H)	C(C[5,5]C[5,5]C[5]O[5])(OH)(H)2	C[5,5](C[5,5]C[5,6]C[5]C)(C[5]C[5]HO)(O[5]C[5,6])(CHHO){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O(CC[5,5]HH)(H)	109.9810	0.000	1	109.9810	0.000	1	111.4350	1.014	4	111.4477	2.339	6	109.8690	6.818	42	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,5]	O	4:2:1:1:	4:4:2:4:	4:1:	C[5,5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C-4:H-1:	C(C[5,5]C[5,5]C[5]O[5])(OH)(H)2	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]HO)(O[5]C[5])(CHHO)	O(CC[5,5]HH)(H)	C(C[5,5]C[5,5]C[5]O[5])(OH)(H)2	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]HO)(O[5]C[5])(CHHO){2|C<4>,2|H<1>}	O(CC[5,5]HH)(H)	112.0240	0.000	1	112.0240	0.000	1	111.4350	1.014	4	111.4477	2.339	6	109.8690	6.818	42	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,5]	O	4:2:1:1:	4:4:2:4:	4:1:	C[5,5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C-4:H-1:	C(C[5,5]C[5,5]C[5]O[5])(OH)(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(CHHO)	O(CC[5,5]HH)(H)	C(C[5,5]C[5,5]C[5]O[5])(OH)(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(CHHO){1|O<1>,2|C<4>}	O(CC[5,5]HH)(H)	112.1890	0.000	1	111.8675	0.207	2	111.4350	1.014	4	111.4477	2.339	6	109.8690	6.818	42	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,5]	O	4:2:1:1:	4:4:2:4:	4:1:	C[5,5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C-4:H-1:	C(C[5,5]C[5,5]C[5]O[5])(OH)(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(CHHO)	O(CC[5,5]HH)(H)	C(C[5,5]C[5,5]C[5]O[5])(OH)(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(CHHO){1|O<2>,3|C<4>}	O(CC[5,5]HH)(H)	111.5460	0.000	1	111.8675	0.207	2	111.4350	1.014	4	111.4477	2.339	6	109.8690	6.818	42	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,5]	O	4:2:1:1:	4:4:2:4:	4:4:	C[5,5]-4:O-2:H-1:H-1:	C[5,5,6]-4:C[5]-4:O[5]-2:C-4:	C-4:C-4:	C(C[5,5]C[5,5,6]C[5]O[5])(OC)(H)2	C[5,5](C[5,5,6]C[5,6]2O)(C[5]O[5]HH)(O[5]C[5,6])(CHHO)	O(CC[5,5]HH)(CC[6a]HH)	C(C[5,5]C[5,5,6]C[5]O[5])(OC)(H)2	C[5,5](C[5,5,6]C[5,6]2O)(C[5]O[5]HH)(O[5]C[5,6])(CHHO){1|C<4>,2|O<2>,3|H<1>}	O(CC[5,5]HH)(CC[6a]HH)	111.1660	0.000	1	111.1660	0.000	1	111.1660	0.000	1	110.4387	0.652	3	109.8690	6.818	42	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,5]	O	4:2:1:1:	4:4:2:4:	4:4:	C[5,5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C-4:S-4:	C(C[5,5]C[5,5]C[5]O[5])(OS)(H)2	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(O[5]C[5,5])(CHHO)	O(CC[5,5]HH)(SCOO)	C(C[5,5]C[5,5]C[5]O[5])(OS)(H)2	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(O[5]C[5,5])(CHHO){2|O<2>,4|H<1>}	O(CC[5,5]HH)(SCOO)	109.5700	0.000	1	109.5700	0.000	1	109.5700	0.000	1	110.4387	0.652	3	109.8690	6.818	42	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,5]	O	4:2:1:1:	4:4:2:4:	4:4:	C[5,5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C-4:Si-4:	C(C[5,5]C[5,5]C[5]O[5])(OSi)(H)2	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(CHHO)	O(CC[5,5]HH)(SiC3)	C(C[5,5]C[5,5]C[5]O[5])(OSi)(H)2	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(CHHO){1|O<1>,1|O<2>,3|H<1>}	O(CC[5,5]HH)(SiC3)	110.5800	0.000	1	110.5800	0.000	1	110.5800	0.000	1	110.4387	0.652	3	109.8690	6.818	42	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,5]	O	4:2:1:1:	4:4:3:4:	4:1:	C[5,5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:C-4:	C-4:H-1:	C(C[5,5]C[5,5]2C[5])(OH)(H)2	C[5,5](C[5,5]N[5,5]S[5]H)(C[5,5]C[5]2H)(C[5]C[5]O)(CHHO)	O(CC[5,5]HH)(H)	C(C[5,5]C[5,5]2C[5])(OH)(H)2	C[5,5](C[5,5]N[5,5]S[5]H)(C[5,5]C[5]2H)(C[5]C[5]O)(CHHO){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	O(CC[5,5]HH)(H)	112.8350	0.532	2	112.8350	0.283	2	112.8350	0.283	2	110.9330	6.571	4	109.8690	6.818	42	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,5]	O	4:2:1:1:	4:4:3:4:	4:1:	C[5,5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C-4:H-1:	C(C[5,5]C[5,5]C[5]2)(OH)(H)2	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(C[5]C[5]C)(CHHO)	O(CC[5,5]HH)(H)	C(C[5,5]C[5,5]C[5]2)(OH)(H)2	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(C[5]C[5]C)(CHHO){1|S<4>,2|C<3>,2|H<1>}	O(CC[5,5]HH)(H)	107.4560	0.000	1	107.4560	0.000	1	109.0310	4.961	2	110.9330	6.571	4	109.8690	6.818	42	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,5]	O	4:2:1:1:	4:4:3:4:	4:1:	C[5,5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C-4:H-1:	C(C[5,5]C[5,5]C[5]2)(OH)(H)2	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HO)(C[5]C[5]C)(CHHO)	O(CC[5,5]HH)(H)	C(C[5,5]C[5,5]C[5]2)(OH)(H)2	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HO)(C[5]C[5]C)(CHHO){2|H<1>,3|C<3>}	O(CC[5,5]HH)(H)	110.6060	0.000	1	110.6060	0.000	1	109.0310	4.961	2	110.9330	6.571	4	109.8690	6.818	42	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,5]	O	4:2:1:1:	4:4:4:4:	4:1:	C[5,5]-4:O-2:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:H-1:	C(C[5,5]C[5,5,6]2C)(OH)(H)2	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CHHO)(CH3)	O(CC[5,5]HH)(H)	C(C[5,5]C[5,5,6]2C)(OH)(H)2	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CHHO)(CH3){1|O<1>,1|O<2>,5|H<1>}	O(CC[5,5]HH)(H)	110.5397	2.156	4	110.7703	2.415	7	110.7703	2.415	7	110.8098	2.186	10	109.8690	6.818	42	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,5]	O	4:2:1:1:	4:4:4:4:	4:1:	C[5,5]-4:O-2:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:H-1:	C(C[5,5]C[5,5,6]2C)(OH)(H)2	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CHHO)(CH3)	O(CC[5,5]HH)(H)	C(C[5,5]C[5,5,6]2C)(OH)(H)2	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CHHO)(CH3){1|O<1>,6|H<1>}	O(CC[5,5]HH)(H)	111.0777	0.155	3	110.7703	2.415	7	110.7703	2.415	7	110.8098	2.186	10	109.8690	6.818	42	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,5]	O	4:2:1:1:	4:4:4:4:	4:1:	C[5,5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-4:	C-4:H-1:	C(C[5,5]C[5,5]C[5]2)(OH)(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]N[5]H)(C[5]C[5]HH)(CHHO)	O(CC[5,5]HH)(H)	C(C[5,5]C[5,5]C[5]2)(OH)(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]N[5]H)(C[5]C[5]HH)(CHHO){3|C<3>,4|H<1>}	O(CC[5,5]HH)(H)	112.7100	0.000	1	112.7100	0.000	1	112.7100	0.000	1	110.8098	2.186	10	109.8690	6.818	42	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,5]	O	4:2:1:1:	4:4:4:4:	4:1:	C[5,5]-4:O-2:H-1:H-1:	N[3x5]-4:C[5]-4:C[5]-4:C-4:	C-4:H-1:	C(C[5,5]N[3x5]C[5]2)(OH)(H)2	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5]O[5]HH)2(CHHO)	O(CC[5,5]HH)(H)	C(C[5,5]N[3x5]C[5]2)(OH)(H)2	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5]O[5]HH)2(CHHO){1|C<4>,1|O<2>,2|C<3>}	O(CC[5,5]HH)(H)	109.6490	0.000	1	109.9980	0.244	2	109.9980	0.244	2	110.8098	2.186	10	109.8690	6.818	42	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,5]	O	4:2:1:1:	4:4:4:4:	4:1:	C[5,5]-4:O-2:H-1:H-1:	N[3x5]-4:C[5]-4:C[5]-4:C-4:	C-4:H-1:	C(C[5,5]N[3x5]C[5]2)(OH)(H)2	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5]O[5]HH)2(CHHO)	O(CC[5,5]HH)(H)	C(C[5,5]N[3x5]C[5]2)(OH)(H)2	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5]O[5]HH)2(CHHO){1|H<1>,1|O<2>,2|C<3>}	O(CC[5,5]HH)(H)	110.3470	0.000	1	109.9980	0.244	2	109.9980	0.244	2	110.8098	2.186	10	109.8690	6.818	42	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,5]	O	4:2:2:1:	4:2:2:4:	4:4:	C[5,5]-4:C-2:O-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	C-4:S-4:	C(C[5,5]C[5,5]O[5]2)(CN)(OS)(H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(CCHO)	O(CC[5,5]CH)(SC[6a]OO)	C(C[5,5]C[5,5]O[5]2)(CN)(OS)(H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(CCHO){1|O<2>,2|H<1>,3|C<4>}	O(CC[5,5]CH)(SC[6a]OO)	106.4010	0.000	1	106.4010	0.000	1	106.4010	0.000	1	106.4010	0.000	1	109.8690	6.818	42	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,5]	O	4:3:2:1:	4:4:2:4:	4:1:	C[5,5]-4:C-3:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C-4:H-1:	C(C[5,5]C[5,5]C[5]O[5])(CCC)(OH)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CC)(O[5]C[5])(CCHO)	O(CC[5,5]CH)(H)	C(C[5,5]C[5,5]C[5]O[5])(CCC)(OH)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CC)(O[5]C[5])(CCHO){1|H<1>,3|C<4>}	O(CC[5,5]CH)(H)	108.5300	0.000	1	108.5300	0.000	1	108.5300	0.000	1	108.5300	0.000	1	109.8690	6.818	42	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,5]	O	4:3:4:2:	4:3:2:4:	4:1:	C[5,5]-4:C[5]-3:C-4:O-2:	C[5,5]-4:N[5]-3:O[5]-2:C-4:	C-4:H-1:	C(C[5,5]C[5,5]N[5]O[5])(C[5]C[5]N[5])(CH3)(OH)	C[5,5](C[5,5]C[5]2C)(N[5]C[5]Co)(O[5]C[5])(CC[5]CO)	O(CC[5,5]C[5]C)(H)	C(C[5,5]C[5,5]N[5]O[5])(C[5]C[5]N[5])(CH3)(OH)	C[5,5](C[5,5]C[5]2C)(N[5]C[5]Co)(O[5]C[5])(CC[5]CO){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	O(CC[5,5]C[5]C)(H)	105.8750	0.000	1	105.8750	0.000	1	105.8750	0.000	1	105.8750	0.000	1	109.8690	6.818	42	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,5]	O	4:4:2:1:	4:2:2:4:	4:1:	C[5,5]-4:C-4:O-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	C-4:H-1:	C(C[5,5]C[5,5]O[5]2)(CCHO)(OH)(H)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(CCHO)	O(CC[5,5]CH)(H)	C(C[5,5]C[5,5]O[5]2)(CCHO)(OH)(H)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(CCHO){1|O<2>,2|H<1>,3|C<4>}	O(CC[5,5]CH)(H)	109.0580	0.000	1	109.0580	0.000	1	109.0580	0.000	1	109.0580	0.000	1	109.8690	6.818	42	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,5]	O	4:4:2:1:	4:4:2:4:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C-4:H-1:	C(C[5,5]C[5,5]C[5]O[5])(C[5]C[5]O[5]C)(OH)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(CC[5]HO)	O(CC[5,5]C[5]H)(H)	C(C[5,5]C[5,5]C[5]O[5])(C[5]C[5]O[5]C)(OH)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(CC[5]HO){1|O<1>,2|C<4>,2|H<1>}	O(CC[5,5]C[5]H)(H)	105.7287	2.083	3	105.7287	4.338	3	105.7287	4.338	3	105.7287	4.338	3	109.8690	6.818	42	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,5]-4:C-4:C-4:O-2:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	C-4:H-1:	C(C[5,5]C[5,5,6]2H)(CCHH)(CH3)(OH)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5,6]C[5,6]H)(CCCO)(H)	O(CC[5,5]CC)(H)	C(C[5,5]C[5,5,6]2H)(CCHH)(CH3)(OH)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5,6]C[5,6]H)(CCCO)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	O(CC[5,5]CC)(H)	113.7440	0.000	1	113.7440	0.000	1	113.7440	0.000	1	113.7440	0.000	1	109.8690	6.818	42	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6,6]	O	4:4:2:1:	4:4:3:4:	4:1:	C[5,6,6]-4:C-4:O-2:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-3:C-4:	C-4:H-1:	C(C[5,6,6]C[5,3x6]C[6,6]C[5])(CCHH)(OH)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]HH)(C[5]C[5]O)(CCHO)	O(CC[5,6,6]CH)(H)	C(C[5,6,6]C[5,3x6]C[6,6]C[5])(CCHH)(OH)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]HH)(C[5]C[5]O)(CCHO){1|O<1>,2|C<4>,4|H<1>}	O(CC[5,6,6]CH)(H)	109.7505	3.012	2	109.7505	9.070	2	109.7505	9.070	2	109.4857	4.745	3	109.4857	4.745	3	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6,6]	O	4:4:2:1:	4:4:3:4:	4:1:	C[5,6,6]-4:C-4:O-2:H-1:	C[5,4x6]-4:C[6,6]-4:C[5]-3:C-4:	C-4:H-1:	C(C[5,6,6]C[5,4x6]C[6,6]C[5])(CCHH)(OH)(H)	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]C[6])(C[6,6]C[3x6]HH)(C[5]C[5]O)(CCHO)	O(CC[5,6,6]CH)(H)	C(C[5,6,6]C[5,4x6]C[6,6]C[5])(CCHH)(OH)(H)	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]C[6])(C[6,6]C[3x6]HH)(C[5]C[5]O)(CCHO){1|N<3>,1|O<2>,3|C<4>,6|H<1>}	O(CC[5,6,6]CH)(H)	108.9560	0.000	1	108.9560	0.000	1	108.9560	0.000	1	109.4857	4.745	3	109.4857	4.745	3	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:2:1:1:	2:4:3:4:	4:4:	C[5,6]-4:O-2:H-1:H-1:	O[5,6]-2:C[5]-4:C[6]-3:C-4:	C-4:Si-4:	C(C[5,6]O[5,6]C[5]C[6])(OSi)(H)2	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]H)(CHHO)	O(CC[5,6]HH)(SiC3)	C(C[5,6]O[5,6]C[5]C[6])(OSi)(H)2	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]H)(CHHO){1|C<3>,2|C<4>,2|H<1>}	O(CC[5,6]HH)(SiC3)	112.8890	0.000	1	112.8890	0.000	1	112.8890	0.000	1	112.8890	0.000	1	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:2:1:1:	2:4:4:4:	4:4:	C[5,6]-4:O-2:H-1:H-1:	O[5,6]-2:C[6]-4:C[5]-4:C-4:	C-4:Si-4:	C(C[5,6]O[5,6]C[5]C[6])(OSi)(H)2	C[5,6](O[5,6]C[5,6,6])(C[6]C[5,6]BrH)(C[5]C[5,6]HH)(CHHO)	O(CC[5,6]HH)(SiC3)	C(C[5,6]O[5,6]C[5]C[6])(OSi)(H)2	C[5,6](O[5,6]C[5,6,6])(C[6]C[5,6]BrH)(C[5]C[5,6]HH)(CHHO){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O(CC[5,6]HH)(SiC3)	111.5960	0.000	1	111.5960	0.000	1	111.5960	0.000	1	111.5960	0.000	1	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:2:1:1:	3:3:3:4:	4:1:	C[5,6]-4:O-2:H-1:H-1:	N[5,6]-3:C[6]-3:N[5]-3:C-4:	C-4:H-1:	C(C[5,6]N[5,6]C[6]N[5])(OH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]O)(N[5]C[5]C)(CHHO)	O(CC[5,6]HH)(H)	C(C[5,6]N[5,6]C[6]N[5])(OH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]O)(N[5]C[5]C)(CHHO){1|C<4>,2|O<1>,3|H<1>}	O(CC[5,6]HH)(H)	110.1230	0.000	1	110.1230	0.000	1	110.1230	0.000	1	110.1230	0.000	1	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:2:1:1:	3:3:3:4:	4:4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C[5,6]-3:C-4:	C-4:C-4:	C(C[5,6]C[5,6a]C[5,6]2)(OC)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])2(CHHO)	O(CC[5,6]HH)(CC3)	C(C[5,6]C[5,6a]C[5,6]2)(OC)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])2(CHHO){1|H<1>,2|O<2>,8|C<3>}	O(CC[5,6]HH)(CC3)	107.3890	0.000	1	107.3890	0.000	1	107.3890	0.000	1	107.3890	0.000	1	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:2:1:1:	3:3:4:4:	4:1:	C[5,6]-4:O-2:H-1:H-1:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	C-4:H-1:	C(C[5,6]C[5a,6]N[5,6]C[5])(OH)(H)2	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(CHHO)	O(CC[5,6]HH)(H)	C(C[5,6]C[5a,6]N[5,6]C[5])(OH)(H)2	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(CHHO){1|C<4>,3|C<3>,5|H<1>}	O(CC[5,6]HH)(H)	112.5850	0.000	1	112.5850	0.000	1	112.5850	0.000	1	112.5850	0.000	1	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:2:1:1:	3:4:2:4:	4:1:	C[5,6]-4:O-2:H-1:H-1:	C[5,6a]-3:C[5,6]-4:O[6]-2:C-4:	C-4:H-1:	C(C[5,6]C[5,6a]C[5,6]O[6])(OH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(O[6]C[6,6a])(CHHO)	O(CC[5,6]HH)(H)	C(C[5,6]C[5,6a]C[5,6]O[6])(OH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(O[6]C[6,6a])(CHHO){1|C<4>,2|H<1>,4|C<3>}	O(CC[5,6]HH)(H)	111.6447	0.497	3	111.6447	0.247	3	111.6447	0.247	3	111.6447	0.247	3	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:2:1:1:	3:4:2:4:	4:4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6a]-3:C[5,6]-4:O[6]-2:C-4:	C-4:S-4:	C(C[5,6]C[5,6a]C[5,6]O[6])(OS)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(O[6]C[6,6a])(CHHO)	O(CC[5,6]HH)(SC[6a]OO)	C(C[5,6]C[5,6a]C[5,6]O[6])(OS)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(O[6]C[6,6a])(CHHO){1|C<4>,2|H<1>,4|C<3>}	O(CC[5,6]HH)(SC[6a]OO)	106.7080	0.000	1	106.7080	0.000	1	106.7080	0.000	1	106.7080	0.000	1	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:2:1:1:	3:4:4:4:	4:1:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-3:C[5,6]-4:C[6]-4:C-4:	C-4:H-1:	C(C[5,6]C[5,6]2C[6])(OH)(H)2	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(CHHO)	O(CC[5,6]HH)(H)	C(C[5,6]C[5,6]2C[6])(OH)(H)2	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(CHHO){1|O<1>,4|H<1>,5|C<4>}	O(CC[5,6]HH)(H)	109.3050	0.000	1	109.3050	0.000	1	109.3050	0.000	1	111.8882	3.786	4	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:2:1:1:	3:4:4:4:	4:1:	C[5,6]-4:O-2:H-1:H-1:	N[5,6]-3:C[5,6]-4:C[6]-4:C-4:	C-4:H-1:	C(C[5,6]C[5,6]N[5,6]C[6])(OH)(H)2	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]O)(C[6]C[5a,6]HH)(CHHO)	O(CC[5,6]HH)(H)	C(C[5,6]C[5,6]N[5,6]C[6])(OH)(H)2	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]O)(C[6]C[5a,6]HH)(CHHO){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	O(CC[5,6]HH)(H)	113.2530	0.969	2	113.2530	0.938	2	113.2530	0.938	2	111.8882	3.786	4	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:2:1:1:	3:4:4:4:	4:1:	C[5,6]-4:O-2:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:C-4:	C-4:H-1:	C(C[5,6]N[5,6]C[5]C[6])(OH)(H)2	C[5,6](N[5,6]C[5,6]H)(C[5]O[5]HH)(C[6]O[6]HH)(CHHO)	O(CC[5,6]HH)(H)	C(C[5,6]N[5,6]C[5]C[6])(OH)(H)2	C[5,6](N[5,6]C[5,6]H)(C[5]O[5]HH)(C[6]O[6]HH)(CHHO){1|C<3>,1|C<4>}	O(CC[5,6]HH)(H)	111.7420	0.000	1	111.7420	0.000	1	111.7420	0.000	1	111.8882	3.786	4	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:2:1:1:	3:4:4:4:	4:4:	C[5,6]-4:O-2:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:C-4:	C-4:C-4:	C(C[5,6]N[5,6]C[5]C[6])(OC)(H)2	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]CC)(CHHO)	O(CC[5,6]HH)(CH3)	C(C[5,6]N[5,6]C[5]C[6])(OC)(H)2	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]CC)(CHHO){1|C<4>,2|C<3>,5|H<1>}	O(CC[5,6]HH)(CH3)	111.2040	1.016	4	111.2040	1.032	4	111.2040	1.032	4	111.2040	1.032	4	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:2:1:1:	4:2:2:4:	4:1:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:O[5]-2:O[6]-2:C-4:	C-4:H-1:	C(C[5,6]C[5,6]O[5]O[6])(OH)(H)2	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]B[5])(O[6]C[6])(CHHO)	O(CC[5,6]HH)(H)	C(C[5,6]C[5,6]O[5]O[6])(OH)(H)2	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]B[5])(O[6]C[6])(CHHO){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(CC[5,6]HH)(H)	111.9640	0.000	1	111.9640	0.000	1	111.9640	0.000	1	112.0820	0.028	2	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:2:1:1:	4:2:2:4:	4:1:	C[5,6]-4:O-2:H-1:H-1:	C[6]-4:O[5,6]-2:O[5]-2:C-4:	C-4:H-1:	C(C[5,6]O[5,6]C[6]O[5])(OH)(H)2	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(O[5]C[5])(CHHO)	O(CC[5,6]HH)(H)	C(C[5,6]O[5,6]C[6]O[5])(OH)(H)2	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(O[5]C[5])(CHHO){1|C<4>,1|O<2>,4|H<1>}	O(CC[5,6]HH)(H)	112.2000	0.000	1	112.2000	0.000	1	112.2000	0.000	1	112.0820	0.028	2	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:2:1:1:	4:2:2:4:	4:4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:O[5]-2:O[6]-2:C-4:	C-4:S-4:	C(C[5,6]C[5,6]O[5]O[6])(OS)(H)2	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(CHHO)	O(CC[5,6]HH)(SC[6a]OO)	C(C[5,6]C[5,6]O[5]O[6])(OS)(H)2	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(CHHO){1|O<2>,3|C<4>,3|H<1>}	O(CC[5,6]HH)(SC[6a]OO)	108.0355	1.471	2	108.0355	2.165	2	108.0677	1.086	3	108.0677	1.086	3	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:2:1:1:	4:2:2:4:	4:4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:O[5]-2:O[6]-2:C-4:	C-4:S-4:	C(C[5,6]C[5,6]O[5]O[6])(OS)(H)2	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(CHHO)	O(CC[5,6]HH)(SNOO)	C(C[5,6]C[5,6]O[5]O[6])(OS)(H)2	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(CHHO){1|O<2>,3|C<4>,3|H<1>}	O(CC[5,6]HH)(SNOO)	108.1320	0.000	1	108.1320	0.000	1	108.0677	1.086	3	108.0677	1.086	3	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:2:1:1:	4:2:4:4:	4:1:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:O[5]-2:C[6]-4:C-4:	C-4:H-1:	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]HO)(CHHO)	O(CC[5,6]HH)(H)	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]HO)(CHHO){3|C<3>,3|H<1>}	O(CC[5,6]HH)(H)	115.0160	0.000	1	115.0160	0.000	1	115.0160	0.000	1	115.0160	0.000	1	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:2:1:1:	4:3:2:4:	4:1:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C-4:H-1:	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]O)(O[5]C[5])(CHHO)	O(CC[5,6]HH)(H)	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]O)(O[5]C[5])(CHHO){1|H<1>,1|O<2>,3|C<4>}	O(CC[5,6]HH)(H)	109.2670	0.000	1	110.3542	1.127	4	110.3542	1.127	4	110.3542	1.127	4	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:2:1:1:	4:3:2:4:	4:1:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C-4:H-1:	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]O)(O[5]C[5])(CHHO)	O(CC[5,6]HH)(H)	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]O)(O[5]C[5])(CHHO){1|O<2>,2|H<1>,3|C<4>}	O(CC[5,6]HH)(H)	110.7167	0.950	3	110.3542	1.127	4	110.3542	1.127	4	110.3542	1.127	4	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:2:1:1:	4:3:2:4:	4:4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C-4:Si-4:	C(C[5,6]C[5,6]C[6]O[5])(OSi)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]C)(O[5]C[5])(CHHO)	O(CC[5,6]HH)(SiC3)	C(C[5,6]C[5,6]C[6]O[5])(OSi)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]C)(O[5]C[5])(CHHO){2|H<1>,4|C<4>}	O(CC[5,6]HH)(SiC3)	111.7840	0.000	1	111.7840	0.000	1	111.7840	0.000	1	111.7840	0.000	1	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:2:1:1:	4:3:4:4:	4:1:	C[5,6]-4:O-2:H-1:H-1:	C[5,5,6]-4:C[6a]-3:C[5,6]-4:C-4:	C-4:H-1:	C(C[5,6]C[5,5,6]C[5,6]C[6a])(OH)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]CC)(CHHO)	O(CC[5,6]HH)(H)	C(C[5,6]C[5,5,6]C[5,6]C[6a])(OH)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]CC)(CHHO){2|C<3>,3|C<4>,3|H<1>}	O(CC[5,6]HH)(H)	108.3380	0.884	2	108.3380	0.781	2	108.3380	0.781	2	108.3380	0.781	2	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:2:1:1:	4:3:4:4:	4:4:	C[5,6]-4:O-2:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:C-4:	C-4:C-4:	C(C[5,6]C[5,5,6]C[5,6]C)(OC)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CHHO)(CH3)	O(CC[5,6]C[6a]C)(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6]C)(OC)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CHHO)(CH3){2|C<4>,4|H<1>}	O(CC[5,6]C[6a]C)(CC[5,6]HH)	111.6380	1.168	2	111.6380	1.365	2	113.5760	11.950	3	113.5760	11.950	3	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:2:1:1:	4:3:4:4:	4:4:	C[5,6]-4:O-2:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:C-4:	C-4:C-4:	C(C[5,6]C[5,5,6]C[5,6]C)(OC)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CHHO)(CH3)	O(CC[5,6]C[6a]H)(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6]C)(OC)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CHHO)(CH3){2|C<4>,4|H<1>}	O(CC[5,6]C[6a]H)(CC[5,6]HH)	117.4520	0.000	1	117.4520	0.000	1	113.5760	11.950	3	113.5760	11.950	3	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:2:1:1:	4:4:2:4:	4:1:	C[5,6]-4:O-2:H-1:H-1:	C[5,6,6]-4:C[5]-4:O[6]-2:C-4:	C-4:H-1:	C(C[5,6]C[5,6,6]C[5]O[6])(OH)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HH)(O[6]C[6])(CHHO)	O(CC[5,6]HH)(H)	C(C[5,6]C[5,6,6]C[5]O[6])(OH)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HH)(O[6]C[6])(CHHO){1|O<1>,2|C<4>,6|H<1>}	O(CC[5,6]HH)(H)	110.4640	0.000	1	110.4640	0.000	1	110.4640	0.000	1	112.3173	2.322	35	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:2:1:1:	4:4:2:4:	4:1:	C[5,6]-4:O-2:H-1:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:C-4:	C-4:H-1:	C(C[5,6]C[5,6,6]C[6]O[5])(OH)(H)2	C[5,6](C[5,6,6]O[5,6]O[6,6]C)(C[6]O[6]CH)(O[5]C[5,6])(CHHO)	O(CC[5,6]HH)(H)	C(C[5,6]C[5,6,6]C[6]O[5])(OH)(H)2	C[5,6](C[5,6,6]O[5,6]O[6,6]C)(C[6]O[6]CH)(O[5]C[5,6])(CHHO){3|C<4>}	O(CC[5,6]HH)(H)	111.0160	0.000	1	111.0160	0.000	1	111.0160	0.000	1	112.3173	2.322	35	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:2:1:1:	4:4:2:4:	4:1:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C-4:H-1:	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(O[5]C[5,5])(CHHO)	O(CC[5,6]HH)(H)	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(O[5]C[5,5])(CHHO){1|C<3>,2|H<1>,3|C<4>}	O(CC[5,6]HH)(H)	112.9470	0.000	1	112.9470	0.000	1	112.4129	2.298	33	112.3173	2.322	35	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:2:1:1:	4:4:2:4:	4:1:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C-4:H-1:	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5,6])(CHHO)	O(CC[5,6]HH)(H)	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5,6])(CHHO){1|C<3>,2|H<1>,3|C<4>}	O(CC[5,6]HH)(H)	110.6577	0.527	3	110.6577	0.278	3	112.4129	2.298	33	112.3173	2.322	35	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:2:1:1:	4:4:2:4:	4:1:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C-4:H-1:	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHO)	O(CC[5,6]HH)(H)	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHO){1|C<3>,1|C<4>,2|C<2>,2|H<1>}	O(CC[5,6]HH)(H)	112.9750	0.000	1	112.6766	1.404	21	112.4129	2.298	33	112.3173	2.322	35	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:2:1:1:	4:4:2:4:	4:1:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C-4:H-1:	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHO)	O(CC[5,6]HH)(H)	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHO){1|C<3>,2|H<1>,3|C<4>}	O(CC[5,6]HH)(H)	112.6073	1.222	19	112.6766	1.404	21	112.4129	2.298	33	112.3173	2.322	35	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:2:1:1:	4:4:2:4:	4:1:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C-4:H-1:	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHO)	O(CC[5,6]HH)(H)	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHO){1|C<4>,2|H<1>,3|C<3>}	O(CC[5,6]HH)(H)	113.6940	0.000	1	112.6766	1.404	21	112.4129	2.298	33	112.3173	2.322	35	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:2:1:1:	4:4:2:4:	4:1:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C-4:H-1:	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	C[5,6](C[5,6]C[5,6]HO)(C[6]N[6]HH)(O[5]C[5])(CHHO)	O(CC[5,6]HH)(H)	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	C[5,6](C[5,6]C[5,6]HO)(C[6]N[6]HH)(O[5]C[5])(CHHO){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(CC[5,6]HH)(H)	113.7010	0.000	2	113.7010	0.000	2	112.4129	2.298	33	112.3173	2.322	35	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:2:1:1:	4:4:2:4:	4:1:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C-4:H-1:	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	C[5,6](C[5,6]C[5,6]HO)(C[6]S[6]HH)(O[5]C[5])(CHHO)	O(CC[5,6]HH)(H)	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	C[5,6](C[5,6]C[5,6]HO)(C[6]S[6]HH)(O[5]C[5])(CHHO){1|N<3>,1|S<2>,2|H<1>}	O(CC[5,6]HH)(H)	112.6690	0.000	1	112.2095	0.422	2	112.4129	2.298	33	112.3173	2.322	35	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:2:1:1:	4:4:2:4:	4:1:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C-4:H-1:	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	C[5,6](C[5,6]C[5,6]HO)(C[6]S[6]HH)(O[5]C[5])(CHHO)	O(CC[5,6]HH)(H)	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	C[5,6](C[5,6]C[5,6]HO)(C[6]S[6]HH)(O[5]C[5])(CHHO){2|H<1>,2|N<3>,2|O<1>}	O(CC[5,6]HH)(H)	111.7500	0.000	1	112.2095	0.422	2	112.4129	2.298	33	112.3173	2.322	35	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:2:1:1:	4:4:2:4:	4:1:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C-4:H-1:	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[6]O[6]HH)(O[5]C[5])(CHHO)	O(CC[5,6]HH)(H)	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[6]O[6]HH)(O[5]C[5])(CHHO){1|C<4>,1|N<3>,5|H<1>}	O(CC[5,6]HH)(H)	111.6695	3.048	4	111.6695	9.292	4	112.4129	2.298	33	112.3173	2.322	35	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:2:1:1:	4:4:2:4:	4:4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C-4:C-4:	C(C[5,6]C[5,6]C[6]O[5])(OC)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6,6]HO)(O[5]C[5])(CHHO)	O(CC[5,6]HH)(CHHO)	C(C[5,6]C[5,6]C[6]O[5])(OC)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6,6]HO)(O[5]C[5])(CHHO){1|H<1>,1|O<1>,4|C<4>}	O(CC[5,6]HH)(CHHO)	109.3020	0.000	1	109.3020	0.000	1	109.3020	0.000	1	110.0340	1.072	2	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:2:1:1:	4:4:2:4:	4:4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C-4:S-4:	C(C[5,6]C[5,6]C[6]O[5])(OS)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CH)(O[5]C[5])(CHHO)	O(CC[5,6]HH)(SC3)	C(C[5,6]C[5,6]C[6]O[5])(OS)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CH)(O[5]C[5])(CHHO){1|O<2>,2|H<1>,4|C<4>}	O(CC[5,6]HH)(SC3)	110.7660	0.000	1	110.7660	0.000	1	110.7660	0.000	1	110.0340	1.072	2	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:2:1:1:	4:4:3:4:	4:1:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C-4:H-1:	C(C[5,6]C[5,6]C[5]C[6])(OH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]H)(CHHO)	O(CC[5,6]HH)(H)	C(C[5,6]C[5,6]C[5]C[6])(OH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]H)(CHHO){1|C<3>,1|C<4>,5|H<1>}	O(CC[5,6]HH)(H)	114.8060	0.000	1	115.0420	0.111	2	112.3750	9.578	4	111.9536	8.071	5	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:2:1:1:	4:4:3:4:	4:1:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C-4:H-1:	C(C[5,6]C[5,6]C[5]C[6])(OH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]H)(CHHO)	O(CC[5,6]HH)(H)	C(C[5,6]C[5,6]C[5]C[6])(OH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]H)(CHHO){1|C<3>,6|H<1>}	O(CC[5,6]HH)(H)	115.2780	0.000	1	115.0420	0.111	2	112.3750	9.578	4	111.9536	8.071	5	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:2:1:1:	4:4:3:4:	4:1:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C-4:H-1:	C(C[5,6]C[5,6]C[5]C[6])(OH)(H)2	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(C[6]N[6]O)(CHHO)	O(CC[5,6]HH)(H)	C(C[5,6]C[5,6]C[5]C[6])(OH)(H)2	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(C[6]N[6]O)(CHHO){2|C<4>,2|H<1>,3|C<3>}	O(CC[5,6]HH)(H)	109.7080	0.413	2	109.7080	0.171	2	112.3750	9.578	4	111.9536	8.071	5	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:2:1:1:	4:4:3:4:	4:1:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:H-1:	C(C[5,6]C[5,6]C[5]C[6])(OH)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O)(CHHO)	O(CC[5,6]HH)(H)	C(C[5,6]C[5,6]C[5]C[6])(OH)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O)(CHHO){1|C<3>,1|O<1>,5|H<1>}	O(CC[5,6]HH)(H)	110.2680	0.000	1	110.2680	0.000	1	110.2680	0.000	1	111.9536	8.071	5	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[5,6]-4:O-2:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:Br-1:	C-4:H-1:	C(C[5,6]C[5,5,6]C[5,6]Br)(OH)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(CHHO)(Br)	O(CC[5,6]HH)(H)	C(C[5,6]C[5,5,6]C[5,6]Br)(OH)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(CHHO)(Br){1|C<3>,2|H<1>}	O(CC[5,6]HH)(H)	113.6447	0.560	3	113.6447	0.313	3	113.6447	0.313	3	111.7245	3.421	17	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[5,6]-4:O-2:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C-4:H-1:	C(C[5,6]C[5,5,6]C[5,6]H)(OH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]CH)(CHHO)(H)	O(CC[5,6]HH)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(OH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]CH)(CHHO)(H){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	O(CC[5,6]HH)(H)	110.5715	2.112	2	110.5715	4.461	2	111.2748	3.226	6	111.7245	3.421	17	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[5,6]-4:O-2:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C-4:H-1:	C(C[5,6]C[5,5,6]C[5,6]H)(OH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CHHO)(H)	O(CC[5,6]HH)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(OH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(CC[5,6]HH)(H)	108.8960	0.000	1	108.8960	0.000	1	111.2748	3.226	6	111.7245	3.421	17	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[5,6]-4:O-2:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C-4:H-1:	C(C[5,6]C[5,5,6]C[5,6]H)(OH)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]CH)(CHHO)(H)	O(CC[5,6]HH)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(OH)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]CH)(CHHO)(H){1|C<3>,2|H<1>}	O(CC[5,6]HH)(H)	112.4080	0.000	1	112.4080	0.000	1	111.2748	3.226	6	111.7245	3.421	17	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[5,6]-4:O-2:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C-4:H-1:	C(C[5,6]C[5,5,6]C[5,6]H)(OH)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CHHO)(H)	O(CC[5,6]HH)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(OH)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CHHO)(H){1|C<3>,1|C<4>,1|H<1>}	O(CC[5,6]HH)(H)	112.2690	0.000	1	112.6010	0.220	2	111.2748	3.226	6	111.7245	3.421	17	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[5,6]-4:O-2:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C-4:H-1:	C(C[5,6]C[5,5,6]C[5,6]H)(OH)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CHHO)(H)	O(CC[5,6]HH)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(OH)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	O(CC[5,6]HH)(H)	112.9330	0.000	1	112.6010	0.220	2	111.2748	3.226	6	111.7245	3.421	17	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[5,6]-4:O-2:H-1:H-1:	C[5,5,6]-4:P[5,5,6]-4:C-4:H-1:	C-4:H-1:	C(C[5,6]C[5,5,6]P[5,5,6]H)(OH)(H)2	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(P[5,5,6]C[5,5]C[5,6]S)(CHHO)(H)	O(CC[5,6]HH)(H)	C(C[5,6]C[5,5,6]P[5,5,6]H)(OH)(H)2	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(P[5,5,6]C[5,5]C[5,6]S)(CHHO)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	O(CC[5,6]HH)(H)	111.2905	0.192	2	110.3927	2.437	3	110.3927	2.437	3	111.7245	3.421	17	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[5,6]-4:O-2:H-1:H-1:	C[5,5,6]-4:P[5,5,6]-4:C-4:H-1:	C-4:H-1:	C(C[5,6]C[5,5,6]P[5,5,6]H)(OH)(H)2	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(P[5,5,6]C[5,5]C[5,6]S)(CHHO)(H)	O(CC[5,6]HH)(H)	C(C[5,6]C[5,5,6]P[5,5,6]H)(OH)(H)2	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(P[5,5,6]C[5,5]C[5,6]S)(CHHO)(H){1|O<2>,2|C<4>,6|H<1>}	O(CC[5,6]HH)(H)	108.5970	0.000	1	110.3927	2.437	3	110.3927	2.437	3	111.7245	3.421	17	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[5,6]-4:O-2:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C-4:H-1:	C-4:H-1:	C(C[5,6]C[5,6,6]C[5,6]H)(OH)(H)2	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(CHHO)(H)	O(CC[5,6]HH)(H)	C(C[5,6]C[5,6,6]C[5,6]H)(OH)(H)2	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(CHHO)(H){1|C<3>,2|C<4>,7|H<1>}	O(CC[5,6]HH)(H)	110.7260	1.212	3	110.7260	1.468	3	110.7260	1.468	3	111.7245	3.421	17	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[5,6]-4:O-2:H-1:H-1:	P[5,5,6]-4:C[5,6]-4:C-4:H-1:	C-4:H-1:	C(C[5,6]P[5,5,6]C[5,6]H)(OH)(H)2	C[5,6](P[5,5,6]C[5,5]C[5,6]S)(C[5,6]C[5,5,6]CH)(CHHO)(H)	O(CC[5,6]HH)(H)	C(C[5,6]P[5,5,6]C[5,6]H)(OH)(H)2	C[5,6](P[5,5,6]C[5,5]C[5,6]S)(C[5,6]C[5,5,6]CH)(CHHO)(H){1|C<3>,1|C<4>,3|H<1>}	O(CC[5,6]HH)(H)	112.7250	0.000	1	113.6890	1.859	2	113.6890	1.859	2	111.7245	3.421	17	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:2:1:1:	4:4:4:1:	4:1:	C[5,6]-4:O-2:H-1:H-1:	P[5,5,6]-4:C[5,6]-4:C-4:H-1:	C-4:H-1:	C(C[5,6]P[5,5,6]C[5,6]H)(OH)(H)2	C[5,6](P[5,5,6]C[5,5]C[5,6]S)(C[5,6]C[5,5,6]CH)(CHHO)(H)	O(CC[5,6]HH)(H)	C(C[5,6]P[5,5,6]C[5,6]H)(OH)(H)2	C[5,6](P[5,5,6]C[5,5]C[5,6]S)(C[5,6]C[5,5,6]CH)(CHHO)(H){1|C<4>,2|C<3>,2|H<1>}	O(CC[5,6]HH)(H)	114.6530	0.000	1	113.6890	1.859	2	113.6890	1.859	2	111.7245	3.421	17	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:2:1:1:	4:4:4:1:	4:4:	C[5,6]-4:O-2:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C-4:C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(OC)(H)2	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(CHHO)(H)	O(CC[5,6]HH)(CCHH)	C(C[5,6]C[5,5,6]C[5,6]H)(OC)(H)2	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(CHHO)(H){1|C<3>,1|C<4>,2|H<1>}	O(CC[5,6]HH)(CCHH)	108.5520	0.000	1	108.5520	0.000	1	109.4346	6.995	13	108.8324	6.482	18	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:2:1:1:	4:4:4:1:	4:4:	C[5,6]-4:O-2:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C-4:C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(OC)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]CH)(CHHO)(H)	O(CC[5,6]HH)2	C(C[5,6]C[5,5,6]C[5,6]H)(OC)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]CH)(CHHO)(H){2|Cl<1>,1|C<3>,2|O<2>}	O(CC[5,6]HH)2	108.6785	1.381	4	109.5082	7.554	12	109.4346	6.995	13	108.8324	6.482	18	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:2:1:1:	4:4:4:1:	4:4:	C[5,6]-4:O-2:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C-4:C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(OC)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]CH)(CHHO)(H)	O(CC[5,6]HH)2	C(C[5,6]C[5,5,6]C[5,6]H)(OC)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]CH)(CHHO)(H){4|Cl<1>,1|C<3>}	O(CC[5,6]HH)2	109.9230	3.235	8	109.5082	7.554	12	109.4346	6.995	13	108.8324	6.482	18	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:2:1:1:	4:4:4:1:	4:4:	C[5,6]-4:O-2:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C-4:S-4:	C(C[5,6]C[5,5,6]C[5,6]H)(OS)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CHHO)(H)	O(CC[5,6]HH)(SC[6a]OO)	C(C[5,6]C[5,5,6]C[5,6]H)(OS)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CHHO)(H){1|C<3>,4|H<1>}	O(CC[5,6]HH)(SC[6a]OO)	107.2185	2.278	2	107.2185	5.187	2	107.2185	5.187	2	108.8324	6.482	18	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:2:1:1:	4:4:4:1:	4:4:	C[5,6]-4:O-2:H-1:H-1:	C[5,5,6]-4:P[5,5,6]-4:C-4:H-1:	C-4:P-4:	C(C[5,6]C[5,5,6]P[5,5,6]H)(OP)(H)2	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(P[5,5,6]C[5,5]C[5,6]S)(CHHO)(H)	O(CC[5,6]HH)(PC[6a]2S)	C(C[5,6]C[5,5,6]P[5,5,6]H)(OP)(H)2	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(P[5,5,6]C[5,5]C[5,6]S)(CHHO)(H){1|O<2>,2|C<4>,6|H<1>}	O(CC[5,6]HH)(PC[6a]2S)	107.2990	1.431	3	107.2990	2.049	3	107.2990	2.049	3	108.8324	6.482	18	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:2:1:1:	4:4:4:2:	4:4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-4:O-2:	C-4:C-4:	C(C[5,6]C[5,6]2O)(OC)(H)2	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H)(CHHO)(OC)	O(CC[5,6]HH)(CH3)	C(C[5,6]C[5,6]2O)(OC)(H)2	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H)(CHHO)(OC){1|O<1>,2|H<1>,3|C<3>}	O(CC[5,6]HH)(CH3)	109.8050	0.000	1	109.8050	0.000	1	109.8050	0.000	1	109.8050	0.000	1	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:2:1:1:	4:4:4:4:	4:1:	C[5,6]-4:O-2:H-1:H-1:	C[3,6]-4:C[5,6]-4:C[5]-4:C-4:	C-4:H-1:	C(C[5,6]C[3,6]C[5,6]C[5])(OH)(H)2	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(CHHO)	O(CC[5,6]HH)(H)	C(C[5,6]C[3,6]C[5,6]C[5])(OH)(H)2	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(CHHO){1|O<2>,2|C<4>,3|H<1>}	O(CC[5,6]HH)(H)	113.2130	0.000	1	113.2130	0.000	1	113.2130	0.000	1	115.2431	39.085	11	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:2:1:1:	4:4:4:4:	4:1:	C[5,6]-4:O-2:H-1:H-1:	C[3x5,6]-4:C[5,6,6]-4:C-4:C-4:	C-4:H-1:	C(C[5,6]C[3x5,6]C[5,6,6]C)(OH)(H)2	C[5,6](C[3x5,6]C[3x5,6]O[5,6]C[5])(C[5,6,6]C[5,6]C[6,6]H)(CHHO)2	O(CC[5,6]HH)(H)	C(C[5,6]C[3x5,6]C[5,6,6]C)(OH)(H)2	C[5,6](C[3x5,6]C[3x5,6]O[5,6]C[5])(C[5,6,6]C[5,6]C[6,6]H)(CHHO)2{5|C<4>,5|H<1>}	O(CC[5,6]HH)(H)	111.8895	0.894	2	111.8895	0.800	2	111.8895	0.800	2	115.2431	39.085	11	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:2:1:1:	4:4:4:4:	4:1:	C[5,6]-4:O-2:H-1:H-1:	C[5,5,6,6]-4:C[5]-4:C[6]-4:C-4:	C-4:H-1:	C(C[5,6]C[5,5,6,6]C[5]C[6])(OH)(H)2	C[5,6](C[5,5,6,6]C[5,5,6]C[6,6]N[5])(C[5]C[5]HH)(C[6]O[6]HH)(CHHO)	O(CC[5,6]HH)(H)	C(C[5,6]C[5,5,6,6]C[5]C[6])(OH)(H)2	C[5,6](C[5,5,6,6]C[5,5,6]C[6,6]N[5])(C[5]C[5]HH)(C[6]O[6]HH)(CHHO){2|C<3>,3|C<4>,4|H<1>}	O(CC[5,6]HH)(H)	114.0860	0.000	1	114.0860	0.000	1	114.0860	0.000	1	115.2431	39.085	11	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:2:1:1:	4:4:4:4:	4:1:	C[5,6]-4:O-2:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:H-1:	C(C[5,6]C[5,5,6]2C)(OH)(H)2	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(CCHH)(CHHO)	O(CC[5,6]HH)(H)	C(C[5,6]C[5,5,6]2C)(OH)(H)2	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(CCHH)(CHHO){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	O(CC[5,6]HH)(H)	114.3300	0.000	1	114.3300	0.000	1	114.3300	0.000	1	115.2431	39.085	11	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:2:1:1:	4:4:4:4:	4:1:	C[5,6]-4:O-2:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:H-1:	C(C[5,6]C[5,5,6]C[5]C[6])(OH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[5]C[5]HH)(C[6]C[6]CH)(CHHO)	O(CC[5,6]HH)(H)	C(C[5,6]C[5,5,6]C[5]C[6])(OH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[5]C[5]HH)(C[6]C[6]CH)(CHHO){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	O(CC[5,6]HH)(H)	110.4085	1.299	2	110.4085	1.687	2	110.4085	1.687	2	115.2431	39.085	11	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:2:1:1:	4:4:4:4:	4:1:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C-4:H-1:	C(C[5,6]C[5,6]2C[6])(OH)(H)2	C[5,6](C[5,6]C[5,6]C[5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]CH)(CHHO)	O(CC[5,6]HH)(H)	C(C[5,6]C[5,6]2C[6])(OH)(H)2	C[5,6](C[5,6]C[5,6]C[5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]CH)(CHHO){1|C<3>,1|N<3>,1|O<2>,3|C<4>,5|H<1>}	O(CC[5,6]HH)(H)	112.3500	0.000	1	112.3500	0.000	1	112.3500	0.000	1	115.2431	39.085	11	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:2:1:1:	4:4:4:4:	4:1:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:H-1:	C(C[5,6]C[5,6]C[5]C[6])(OH)(H)2	C[5,6](C[5,6]C[5,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(CHHO)	O(CC[5,6]HH)(H)	C(C[5,6]C[5,6]C[5]C[6])(OH)(H)2	C[5,6](C[5,6]C[5,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(CHHO){3|C<4>,6|H<1>}	O(CC[5,6]HH)(H)	114.1120	0.000	1	114.1120	0.000	1	123.0330	61.205	3	115.2431	39.085	11	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:2:1:1:	4:4:4:4:	4:1:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:H-1:	C(C[5,6]C[5,6]C[5]C[6])(OH)(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CHHO)	O(CC[5,6]HH)(H)	C(C[5,6]C[5,6]C[5]C[6])(OH)(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CHHO){1|C<3>,2|C<4>,6|H<1>}	O(CC[5,6]HH)(H)	127.4935	1.742	2	127.4935	3.033	2	123.0330	61.205	3	115.2431	39.085	11	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:2:1:1:	4:4:4:4:	4:4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C-4:C-4:	C(C[5,6]C[5,6]2C[6])(OC)(H)2	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(CHHO)	O(CC[5,6]HH)(CC[6a]HH)	C(C[5,6]C[5,6]2C[6])(OC)(H)2	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(CHHO){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	O(CC[5,6]HH)(CC[6a]HH)	108.6770	0.000	1	108.5103	0.023	3	108.9083	0.649	4	109.8216	4.658	5	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:2:1:1:	4:4:4:4:	4:4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C-4:C-4:	C(C[5,6]C[5,6]2C[6])(OC)(H)2	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(CHHO)	O(CC[5,6]HH)(CC[6a]HH)	C(C[5,6]C[5,6]2C[6])(OC)(H)2	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(CHHO){1|O<1>,4|H<1>,6|C<4>}	O(CC[5,6]HH)(CC[6a]HH)	108.4270	0.066	2	108.5103	0.023	3	108.9083	0.649	4	109.8216	4.658	5	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:2:1:1:	4:4:4:4:	4:4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C-4:C-4:	C(C[5,6]C[5,6]2C[6])(OC)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CHHO)	O(CC[5,6]HH)(CHHO)	C(C[5,6]C[5,6]2C[6])(OC)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CHHO){1|O<2>,4|C<4>,7|H<1>}	O(CC[5,6]HH)(CHHO)	110.1020	0.000	1	110.1020	0.000	1	108.9083	0.649	4	109.8216	4.658	5	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:2:1:1:	4:4:4:4:	4:4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:C-4:	C(C[5,6]C[5,6]C[5]C[6])(OC)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[5]O[5]CH)(C[6]C[6]HH)(CHHO)	O(CC[5,6]HH)(CCCO)	C(C[5,6]C[5,6]C[5]C[6])(OC)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[5]O[5]CH)(C[6]C[6]HH)(CHHO){2|C<4>,2|H<1>}	O(CC[5,6]HH)(CCCO)	113.4750	0.000	1	113.4750	0.000	1	113.4750	0.000	1	109.8216	4.658	5	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:3:2:1:	3:4:4:4:	4:1:	C[5,6]-4:C-3:O-2:H-1:	C[5,6]-3:C[6]-4:C[5]-4:C-4:	C-4:H-1:	C(C[5,6]C[5,6]C[5]C[6])(CNO)(OH)(H)	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(C[5]C[5]CH)(CCHO)	O(CC[5,6]CH)(H)	C(C[5,6]C[5,6]C[5]C[6])(CNO)(OH)(H)	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(C[5]C[5]CH)(CCHO){2|O<2>,3|C<4>,3|H<1>}	O(CC[5,6]CH)(H)	110.4880	0.000	1	110.4880	0.000	1	110.4880	0.000	1	110.4880	0.000	1	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:3:2:1:	4:3:3:4:	4:4:	C[5,6]-4:C[6a]-3:O-2:H-1:	C[5,6]-4:C[5]-3:C[6]-3:C-4:	C-4:Si-4:	C(C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]2)(OSi)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]O)(C[6]C[6]C)(CC[6a]HO)	O(CC[5,6]C[6a]H)(SiC3)	C(C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]2)(OSi)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]O)(C[6]C[6]C)(CC[6a]HO){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(CC[5,6]C[6a]H)(SiC3)	106.6355	0.514	2	106.6355	0.264	2	106.6355	0.264	2	106.6355	0.264	2	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:3:2:1:	4:4:4:1:	4:1:	C[5,6]-4:C-3:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C-4:H-1:	C(C[5,6]C[5,5,6]C[5,6]H)(CCH)(OH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(CCHO)(H)	O(CC[5,6]CH)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(CCH)(OH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(CCHO)(H){2|H<1>,4|C<4>}	O(CC[5,6]CH)(H)	110.1640	1.088	2	110.1640	1.183	2	110.1640	1.183	2	110.3695	1.458	4	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:3:2:1:	4:4:4:1:	4:1:	C[5,6]-4:C-3:O-2:H-1:	C[5,6,6]-4:C[5,5,6]-4:C-4:H-1:	C-4:H-1:	C(C[5,6]C[5,5,6]C[5,6,6]H)(COO)(OH)(H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6]C)(C[5,5,6]C[5,5]C[5,6]C)(CCHO)(H)	O(CC[5,6]CH)(H)	C(C[5,6]C[5,5,6]C[5,6,6]H)(COO)(OH)(H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6]C)(C[5,5,6]C[5,5]C[5,6]C)(CCHO)(H){2|O<2>,3|C<4>,4|H<1>}	O(CC[5,6]CH)(H)	111.8040	0.000	1	111.8040	0.000	1	111.8040	0.000	1	110.3695	1.458	4	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:3:2:1:	4:4:4:1:	4:1:	C[5,6]-4:C[5a]-3:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C-4:H-1:	C(C[5,6]C[5,5,6]C[5,6]H)(C[5a]C[5a]O[5a])(OH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(CC[5a]HO)(H)	O(CC[5,6]C[5a]H)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(C[5a]C[5a]O[5a])(OH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(CC[5a]HO)(H){2|H<1>,4|C<4>}	O(CC[5,6]C[5a]H)(H)	109.3460	0.000	1	109.3460	0.000	1	109.3460	0.000	1	110.3695	1.458	4	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:3:2:1:	4:4:4:1:	4:4:	C[5,6]-4:C[6a]-3:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C-4:C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)(OC)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CC[6a]HO)(H)	O(CC[5,6]C[6a]H)(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)(OC)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CC[6a]HO)(H){1|C<4>,1|O<1>,3|H<1>}	O(CC[5,6]C[6a]H)(CC[5,6]HH)	112.1200	0.000	1	112.1200	0.000	1	112.1200	0.000	1	112.1200	0.000	1	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:3:2:1:	4:4:4:4:	4:4:	C[5,6]-4:C[6a]-3:O-2:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C-4:C-4:	C(C[5,6]C[5,6,6]C[5]C[6])(C[6a]C[6a]2)(OC)(H)	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HO)	O(CC[5,6]C[6a]H)(CHHO)	C(C[5,6]C[5,6,6]C[5]C[6])(C[6a]C[6a]2)(OC)(H)	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HO){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	O(CC[5,6]C[6a]H)(CHHO)	105.6810	1.766	4	105.6810	3.118	4	105.6810	3.118	4	105.6810	3.118	4	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:3:4:2:	4:4:4:1:	4:4:	C[5,6]-4:C[6a]-3:C-4:O-2:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C-4:C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)(CH3)(OC)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CC[6a]CO)(H)	O(CC[5,6]C[6a]C)(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)(CH3)(OC)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CC[6a]CO)(H){1|C<4>,1|O<1>,3|H<1>}	O(CC[5,6]C[6a]C)(CC[5,6]HH)	112.5635	0.405	2	112.5635	0.164	2	112.5635	0.164	2	112.5635	0.164	2	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:4:2:1:	3:3:4:4:	4:4:	C[5,6]-4:C-4:O-2:H-1:	C[5,6]-3:C[5]-3:C[6]-4:C-4:	C-4:C-4:	C(C[5,6]C[5,6]C[5]C[6])(CC[6]HH)(OC)(H)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[6a]C[5])(C[6]C[6,6]HH)(CCHO)	O(CC[5,6]CH)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(CC[6]HH)(OC)(H)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[6a]C[5])(C[6]C[6,6]HH)(CCHO){2|C<3>,2|H<1>,5|C<4>}	O(CC[5,6]CH)(CH3)	106.6990	0.000	1	106.6990	0.000	1	106.6990	0.000	1	106.6990	0.000	1	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:4:2:1:	3:4:4:4:	4:1:	C[5,6]-4:C-4:O-2:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C-4:H-1:	C(C[5,6]C[5,6a]C[5,6]C[6])(CHHN)(OH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(CCHO)	O(CC[5,6]CH)(H)	C(C[5,6]C[5,6a]C[5,6]C[6])(CHHN)(OH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(CCHO){2|C<3>,2|C<4>,4|H<1>}	O(CC[5,6]CH)(H)	107.6635	0.445	4	107.6635	0.198	4	107.6635	0.198	4	107.6635	0.198	4	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:4:2:1:	4:4:2:4:	4:1:	C[5,6]-4:C-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:C-4:	C-4:H-1:	C(C[5,6]C[5,6,6]C[6]O[5])(CH3)(OH)(H)	C[5,6](C[5,6,6]O[5,6]O[6,6]C)(C[6]O[6]CH)(O[5]C[5,6])(CCHO)	O(CC[5,6]CH)(H)	C(C[5,6]C[5,6,6]C[6]O[5])(CH3)(OH)(H)	C[5,6](C[5,6,6]O[5,6]O[6,6]C)(C[6]O[6]CH)(O[5]C[5,6])(CCHO){3|C<4>}	O(CC[5,6]CH)(H)	107.4990	0.000	1	107.4990	0.000	1	107.4990	0.000	1	108.7240	1.697	5	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:4:2:1:	4:4:2:4:	4:1:	C[5,6]-4:C-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C-4:H-1:	C(C[5,6]C[5,6]C[6]O[5])(CH3)(OH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6,6]HH)(O[5]C[5])(CCHO)	O(CC[5,6]CH)(H)	C(C[5,6]C[5,6]C[6]O[5])(CH3)(OH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6,6]HH)(O[5]C[5])(CCHO){1|O<1>,2|C<4>,4|H<1>}	O(CC[5,6]CH)(H)	109.2700	0.000	1	108.4860	0.679	3	108.4860	0.679	3	108.7240	1.697	5	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:4:2:1:	4:4:2:4:	4:1:	C[5,6]-4:C-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C-4:H-1:	C(C[5,6]C[5,6]C[6]O[5])(CH3)(OH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6,6]HH)(O[5]C[5])(CCHO)	O(CC[5,6]CH)(H)	C(C[5,6]C[5,6]C[6]O[5])(CH3)(OH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6,6]HH)(O[5]C[5])(CCHO){2|C<4>,2|O<1>,4|H<1>}	O(CC[5,6]CH)(H)	108.0940	0.660	2	108.4860	0.679	3	108.4860	0.679	3	108.7240	1.697	5	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:4:2:1:	4:4:2:4:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:C-4:	C-4:H-1:	C(C[5,6]C[5,6]C[5]O[6])(C[6]C[6]2H)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(O[6]C[6])(CC[6]HO)	O(CC[5,6]C[6]H)(H)	C(C[5,6]C[5,6]C[5]O[6])(C[6]C[6]2H)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(O[6]C[6])(CC[6]HO){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(CC[5,6]C[6]H)(H)	110.6630	0.000	1	110.6630	0.000	1	110.6630	0.000	1	108.7240	1.697	5	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6]-4:C-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C-4:H-1:	C(C[5,6]C[5,5,6]C[5,6]H)(CCHH)(OH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCHO)(H)	O(CC[5,6]CH)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(CCHH)(OH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCHO)(H){1|C<3>,4|H<1>}	O(CC[5,6]CH)(H)	114.2090	0.000	1	114.2090	0.000	1	111.4825	4.275	4	111.4825	4.275	4	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6]-4:C-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C-4:H-1:	C(C[5,6]C[5,5,6]C[5,6]H)(CHHO)(OH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CN)(CCHO)(H)	O(CC[5,6]CH)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(CHHO)(OH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CN)(CCHO)(H){1|C<4>,5|H<1>}	O(CC[5,6]CH)(H)	110.5737	1.207	3	110.5737	1.457	3	111.4825	4.275	4	111.4825	4.275	4	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5,6]-4:C-4:O-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	C-4:C-4:	C(C[5,6]C[5,5,6]2H)(CHHO)(OC)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]H)(CCHO)(H)	O(CC[5,6]CH)(CC[6a]HH)	C(C[5,6]C[5,5,6]2H)(CHHO)(OC)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]H)(CCHO)(H){1|C<4>,1|I<1>,1|O<1>,1|O<2>,4|H<1>}	O(CC[5,6]CH)(CC[6a]HH)	109.9100	0.000	1	109.9100	0.000	1	109.9100	0.000	1	109.9100	0.000	1	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:4:4:2:	4:4:2:4:	4:1:	C[5,6]-4:C-4:C-4:O-2:	C[5,6]-4:C[5,6]-4:O[5]-2:C-4:	C-4:H-1:	C(C[5,6]C[5,6]2O[5])(CH3)2(OH)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(CCCO)	O(CC[5,6]CC)(H)	C(C[5,6]C[5,6]2O[5])(CH3)2(OH)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(CCCO){1|C<3>,2|H<1>,5|C<4>}	O(CC[5,6]CC)(H)	103.8890	0.000	1	103.8890	0.000	1	103.8890	0.000	1	103.8890	0.000	1	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C-4:C-4:O-2:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C-4:H-1:	C(C[5,6]C[5,5,6]C[5,6]H)(CHHO)(CH3)(OH)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CCCO)(H)	O(CC[5,6]CC)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(CHHO)(CH3)(OH)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CCCO)(H){1|C<4>,1|P<4>,4|H<1>}	O(CC[5,6]CC)(H)	107.3535	0.834	2	107.3535	0.695	2	107.3535	0.695	2	107.3535	0.695	2	110.9373	10.030	159	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	3:3:4:2:	4:4:2:1:	4:1:	C[6a]-3:C[6a]-3:C[5]-4:O-2:	C[5]-4:C-4:O[5]-2:H-1:	C-4:H-1:	C(C[6a]C[6a,6a]C[6a])2(C[5]C[5]O[5]H)(OH)	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]C[5])(H)	O(CC[6a]2C[5])(H)	C(C[6a]C[6a,6a]C[6a])2(C[5]C[5]O[5]H)(OH)	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]C[5])(H){2|C<3>}	O(CC[6a]2C[5])(H)	106.7160	0.187	2	106.7160	0.035	2	106.7160	0.035	2	106.7160	0.035	2	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	3:3:4:2:	4:4:4:1:	4:1:	C[6a]-3:C[6a]-3:C[5]-4:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)2(C[5]C[5]2H)(OH)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]2O)(H)	O(CC[6a]2C[5])(H)	C(C[6a]C[6a]2)2(C[5]C[5]2H)(OH)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]2O)(H){1|C<4>,1|O<1>}	O(CC[6a]2C[5])(H)	108.8740	0.000	1	108.8740	0.000	1	108.8740	0.000	1	108.8740	0.000	1	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	3:4:2:1:	3:3:4:4:	4:1:	C[5a]-3:C[5]-4:O-2:H-1:	C[5]-3:N[5]-3:C-4:C-4:	C-4:H-1:	C(C[5a]C[5a]O[5a])(C[5]C[5]N[5]C)(OH)(H)	C[5](C[5]O[5]O)(N[5]C[5]C)(CC[5a]HO)(CH3)	O(CC[5a]C[5]H)(H)	C(C[5a]C[5a]O[5a])(C[5]C[5]N[5]C)(OH)(H)	C[5](C[5]O[5]O)(N[5]C[5]C)(CC[5a]HO)(CH3){2|C<4>}	O(CC[5a]C[5]H)(H)	110.1030	0.000	1	110.1030	0.000	1	110.1030	0.000	1	110.1030	0.000	1	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	3:4:2:1:	3:4:2:1:	4:1:	C[5a]-3:C[5]-4:O-2:H-1:	C[5]-3:C-4:O[5]-2:H-1:	C-4:H-1:	C(C[5a]C[5a]O[5a])(C[5]C[5]O[5]H)(OH)(H)	C[5](C[5]C[5]N)(CC[5a]HO)(O[5]C[5])(H)	O(CC[5a]C[5]H)(H)	C(C[5a]C[5a]O[5a])(C[5]C[5]O[5]H)(OH)(H)	C[5](C[5]C[5]N)(CC[5a]HO)(O[5]C[5])(H){1|Cl<1>,1|O<1>}	O(CC[5a]C[5]H)(H)	109.5985	2.773	2	109.5985	7.687	2	109.5985	7.687	2	107.6205	8.075	4	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	3:4:2:1:	3:4:2:1:	4:1:	C[5a]-3:C[5]-4:O-2:H-1:	C[5]-3:C-4:S[5]-2:H-1:	C-4:H-1:	C(C[5a]C[5a]S[5a])(C[5]C[5]S[5]H)(OH)(H)	C[5](C[5]N[5]O)(CC[5a]HO)(S[5]C[5])(H)	O(CC[5a]C[5]H)(H)	C(C[5a]C[5a]S[5a])(C[5]C[5]S[5]H)(OH)(H)	C[5](C[5]N[5]O)(CC[5a]HO)(S[5]C[5])(H){1|C<4>,1|O<1>}	O(CC[5a]C[5]H)(H)	105.6425	0.943	2	105.6425	0.888	2	105.6425	0.888	2	107.6205	8.075	4	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	3:4:2:1:	4:2:4:1:	4:4:	C[5]-3:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:C-4:	C(C[5]C[5,5,6]N[5])(C[5]C[5]O[5]H)(OC)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(H)	O(CC[6a]HH)(CC[5]2H)	C(C[5]C[5,5,6]N[5])(C[5]C[5]O[5]H)(OC)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(H){2|C<4>}	O(CC[6a]HH)(CC[5]2H)	105.9340	0.000	1	105.9340	0.000	1	105.9340	0.000	1	105.9340	0.000	1	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	3:4:2:1:	4:3:4:1:	4:1:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HO)(H)	O(CC[6a]C[5]H)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HO)(H){1|O<1>,2|C<4>}	O(CC[6a]C[5]H)(H)	111.0630	0.000	1	111.0630	0.000	1	110.3722	8.418	10	109.9912	9.173	11	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	3:4:2:1:	4:3:4:1:	4:1:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]HO)(H)	O(CC[6a]C[5]H)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]HO)(H){1|S<4>,2|H<1>}	O(CC[6a]C[5]H)(H)	109.9390	0.000	1	109.9390	0.000	1	110.3722	8.418	10	109.9912	9.173	11	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	3:4:2:1:	4:3:4:1:	4:1:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]HO)(H)	O(CC[6a]C[5]H)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]HO)(H){2|H<1>}	O(CC[6a]C[5]H)(H)	114.3205	1.839	2	114.3205	3.383	2	110.3722	8.418	10	109.9912	9.173	11	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	3:4:2:1:	4:3:4:1:	4:1:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HO)(H)	O(CC[6a]C[5]H)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HO)(H){4|H<1>}	O(CC[6a]C[5]H)(H)	111.9590	0.216	2	111.9590	0.047	2	110.3722	8.418	10	109.9912	9.173	11	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	3:4:2:1:	4:3:4:1:	4:1:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HO)(H)	O(CC[6a]C[5]H)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HO)(H){1|C<3>,2|H<1>}	O(CC[6a]C[5]H)(H)	106.6720	0.000	1	106.6720	0.000	1	110.3722	8.418	10	109.9912	9.173	11	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	3:4:2:1:	4:3:4:1:	4:1:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HO)(H)	O(CC[6a]C[5]H)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HO)(H){1|C<3>,1|H<1>}	O(CC[6a]C[5]H)(H)	106.5730	0.000	1	106.5730	0.000	1	110.3722	8.418	10	109.9912	9.173	11	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	3:4:2:1:	4:3:4:1:	4:1:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]SiH)(C[5]N[5]O)(CC[6a]HO)(H)	O(CC[6a]C[5]H)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]SiH)(C[5]N[5]O)(CC[6a]HO)(H){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]C[5]H)(H)	108.4580	0.000	2	108.4580	0.000	2	110.3722	8.418	10	109.9912	9.173	11	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	3:4:2:1:	4:3:4:1:	4:1:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(OH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]HO)(H)	O(CC[6a]C[5]H)(H)	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(OH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]HO)(H){4|H<1>}	O(CC[6a]C[5]H)(H)	106.1810	0.000	1	106.1810	0.000	1	106.1810	0.000	1	109.9912	9.173	11	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	3:4:2:1:	4:3:4:2:	4:1:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C-4:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2O)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HO)(OC)	O(CC[6a]C[5]H)(H)	C(C[6a]C[6a]2)(C[5]C[5]2O)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HO)(OC){3|H<1>}	O(CC[6a]C[5]H)(H)	108.6140	1.775	2	108.6140	3.150	2	108.6140	3.150	2	108.6140	3.150	2	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	3:4:2:1:	4:3:4:4:	4:1:	C[5a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:H-1:	C(C[5a]C[5a]O[5a])(C[5]C[5]2C)(OH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[5a]HO)(CH3)	O(CC[5a]C[5]H)(H)	C(C[5a]C[5a]O[5a])(C[5]C[5]2C)(OH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[5a]HO)(CH3){1|C<3>,2|H<1>}	O(CC[5a]C[5]H)(H)	106.6210	0.000	1	106.6210	0.000	1	106.6210	0.000	1	108.8415	8.430	8	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	3:4:2:1:	4:3:4:4:	4:1:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2C)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HO)2	O(CC[6a]C[5]H)(H)	C(C[6a]C[6a]2)(C[5]C[5]2C)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HO)2{3|H<1>}	O(CC[6a]C[5]H)(H)	110.3965	3.215	4	110.3965	10.336	4	109.1587	8.895	7	108.8415	8.430	8	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	3:4:2:1:	4:3:4:4:	4:1:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2C)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HO)(CH3)	O(CC[6a]C[5]H)(H)	C(C[6a]C[6a]2)(C[5]C[5]2C)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HO)(CH3){4|H<1>}	O(CC[6a]C[5]H)(H)	106.0410	0.000	1	106.0410	0.000	1	109.1587	8.895	7	108.8415	8.430	8	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	3:4:2:1:	4:3:4:4:	4:1:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2C)(OH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HO)(CH3)	O(CC[6a]C[5]H)(H)	C(C[6a]C[6a]2)(C[5]C[5]2C)(OH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HO)(CH3){1|C<3>,2|H<1>}	O(CC[6a]C[5]H)(H)	109.7970	0.000	1	109.7970	0.000	1	109.1587	8.895	7	108.8415	8.430	8	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	3:4:2:1:	4:3:4:4:	4:1:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2C)(OH)(H)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HO)(CH3)	O(CC[6a]C[5]H)(H)	C(C[6a]C[6a]2)(C[5]C[5]2C)(OH)(H)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HO)(CH3){1|C<3>,1|H<1>}	O(CC[6a]C[5]H)(H)	106.6870	0.000	1	106.6870	0.000	1	109.1587	8.895	7	108.8415	8.430	8	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	3:4:2:1:	4:3:4:4:	4:4:	C[5a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:C-4:	C(C[5a]C[5a]2)(C[5]C[5]2C)(OC)(H)	C[5](C[5]C[5,5]HO)(C[5]C[5]C)(CC[5a]HO)(CH3)	O(CC[5a]C[5]H)(CH3)	C(C[5a]C[5a]2)(C[5]C[5]2C)(OC)(H)	C[5](C[5]C[5,5]HO)(C[5]C[5]C)(CC[5a]HO)(CH3){1|C<3>,1|C<4>,1|O<2>}	O(CC[5a]C[5]H)(CH3)	106.3023	0.402	3	106.3023	0.162	3	106.3023	0.162	3	106.3023	0.162	3	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	3:4:2:1:	4:4:2:1:	4:1:	C[5a]-3:C[5]-4:O-2:H-1:	C[5]-4:C-4:N[5]-2:H-1:	C-4:H-1:	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]H)(OH)(H)	C[5](C[5]N[5]HH)(CC[5a]HO)(N[5]C[5])(H)	O(CC[5a]C[5]H)(H)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]H)(OH)(H)	C[5](C[5]N[5]HH)(CC[5a]HO)(N[5]C[5])(H){2|C<3>}	O(CC[5a]C[5]H)(H)	109.5170	0.000	1	109.5170	0.000	1	109.5170	0.000	1	109.5170	0.000	1	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	3:4:2:1:	4:4:3:1:	4:1:	C[5,6]-3:C[5]-4:O-2:H-1:	C[5]-4:C-4:C[5]-3:H-1:	C-4:H-1:	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(OH)(H)	C[5](C[5]O[5]CH)(CC[5,6]HO)(C[5]C[5]C)(H)	O(CC[5,6]C[5]H)(H)	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(OH)(H)	C[5](C[5]O[5]CH)(CC[5,6]HO)(C[5]C[5]C)(H){1|O<1>}	O(CC[5,6]C[5]H)(H)	107.6580	0.000	1	107.6580	0.000	1	107.6580	0.000	1	107.6580	0.000	1	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	3:4:2:1:	4:4:4:1:	3:4:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	N[5a]-3:C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(ON[5a])(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]HO)(H)	O(N[5a]C[5a,6a]N[5a])(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(ON[5a])(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]HO)(H){1|C<4>,1|O<1>}	O(N[5a]C[5a,6a]N[5a])(CC[6a]C[5]H)	101.6660	0.000	1	101.6660	0.000	1	101.6660	0.000	1	101.6660	0.000	1	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	3:4:2:1:	4:4:4:1:	4:1:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CC[6a]HO)(H)	O(CC[6a]C[5]H)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CC[6a]HO)(H){2|C<3>}	O(CC[6a]C[5]H)(H)	105.6270	0.000	1	105.6270	0.000	1	107.6400	5.476	6	107.6400	5.476	6	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	3:4:2:1:	4:4:4:1:	4:1:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[6a]HO)(H)	O(CC[6a]C[5]H)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[6a]HO)(H){4|H<1>}	O(CC[6a]C[5]H)(H)	109.5400	0.000	1	109.5400	0.000	1	107.6400	5.476	6	107.6400	5.476	6	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	3:4:2:1:	4:4:4:1:	4:1:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[6a]HO)(H)	O(CC[6a]C[5]H)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[6a]HO)(H){1|C<4>,3|H<1>}	O(CC[6a]C[5]H)(H)	105.3540	0.000	1	105.3540	0.000	1	107.6400	5.476	6	107.6400	5.476	6	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	3:4:2:1:	4:4:4:1:	4:1:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CC[6a]HO)(H)	O(CC[6a]C[5]H)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CC[6a]HO)(H){1|O<1>}	O(CC[6a]C[5]H)(H)	111.3190	0.000	1	111.3190	0.000	1	107.6400	5.476	6	107.6400	5.476	6	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	3:4:2:1:	4:4:4:1:	4:1:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]HO)(H)	O(CC[6a]C[5]H)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]HO)(H){1|H<1>,3|C<3>}	O(CC[6a]C[5]H)(H)	107.2610	0.000	1	107.2610	0.000	1	107.6400	5.476	6	107.6400	5.476	6	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	3:4:2:1:	4:4:4:1:	4:1:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(CC[6a]HO)(H)	O(CC[6a]C[5]H)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(CC[6a]HO)(H){2|H<1>,3|C<3>}	O(CC[6a]C[5]H)(H)	106.7390	0.000	1	106.7390	0.000	1	107.6400	5.476	6	107.6400	5.476	6	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	3:4:2:1:	4:4:4:3:	4:1:	C[6a]-3:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C-4:C-3:	C-4:H-1:	C(C[6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5]C)(OH)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(CC[6a]HO)(COO)	O(CC[6a]C[5]H)(H)	C(C[6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5]C)(OH)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(CC[6a]HO)(COO){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	O(CC[6a]C[5]H)(H)	110.8550	0.000	1	110.8550	0.000	1	110.8550	0.000	1	110.8550	0.000	1	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	3:4:3:2:	3:3:4:3:	4:4:	C[6a]-3:C[5]-4:C-3:O-2:	C[5]-3:C[5]-3:C-4:N-3:	C-4:C-4:	C(C[6a]C[6a]2)(C[5]C[5]2N)(COO)(OC)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]CO)(NCH)	O(CC[6a]C[5]C)(CC[6a]HH)	C(C[6a]C[6a]2)(C[5]C[5]2N)(COO)(OC)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]CO)(NCH){1|C<3>}	O(CC[6a]C[5]C)(CC[6a]HH)	104.5520	0.000	1	104.5520	0.000	1	104.5520	0.000	1	104.5520	0.000	1	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	3:4:3:2:	3:4:2:1:	4:1:	C[5a]-3:C[5]-4:C-3:O-2:	C[5]-3:C-4:O[5]-2:H-1:	C-4:H-1:	C(C[5a]C[5a]S[5a])(C[5]C[5]O[5]H)(COO)(OH)	C[5](C[5]C[5]H)(CC[5a]CO)(O[5]C[5])(H)	O(CC[5a]C[5]C)(H)	C(C[5a]C[5a]S[5a])(C[5]C[5]O[5]H)(COO)(OH)	C[5](C[5]C[5]H)(CC[5a]CO)(O[5]C[5])(H){1|H<1>,1|O<1>}	O(CC[5a]C[5]C)(H)	108.1560	0.000	1	108.1560	0.000	1	108.1560	0.000	1	108.1560	0.000	1	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	3:4:3:2:	4:3:4:1:	4:1:	C[6a]-3:C[5]-4:C-3:O-2:	C[5]-4:C[5]-3:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2H)(COO)(OH)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]CO)(H)	O(CC[6a]C[5]C)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(COO)(OH)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]CO)(H){4|H<1>}	O(CC[6a]C[5]C)(H)	110.2310	0.000	1	110.2310	0.000	1	110.2310	0.000	1	110.2310	0.000	1	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	3:4:3:2:	4:4:4:1:	4:1:	C[6a]-3:C[5]-4:C-3:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2H)(COO)(OH)	C[5](C[5]C[5]HH)2(CC[6a]CO)(H)	O(CC[6a]C[5]C)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(COO)(OH)	C[5](C[5]C[5]HH)2(CC[6a]CO)(H){4|H<1>}	O(CC[6a]C[5]C)(H)	108.3605	0.207	2	108.3605	0.043	2	108.3605	0.043	2	108.3605	0.043	2	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	3:4:4:2:	4:3:4:1:	4:1:	C[6a]-3:C[5]-4:C-4:O-2:	C[5]-4:C[5]-3:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2H)(CC[6a]HO)(OH)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]CO)(H)	O(CC[6a]C[5]C)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(CC[6a]HO)(OH)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]CO)(H){2|H<1>}	O(CC[6a]C[5]C)(H)	105.0960	0.918	2	105.0960	0.842	2	105.0960	0.842	2	105.0960	0.842	2	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	2:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	O[5]-2:S[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]O[5]S[5]H)(OH)(H)2	C[5](O[5]C[5])(S[5]C[5])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]O[5]S[5]H)(OH)(H)2	C[5](O[5]C[5])(S[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	O(CC[5]HH)(H)	112.0714	1.909	37	112.0714	3.643	37	112.0714	3.643	37	112.0714	3.643	37	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	2:2:4:4:	4:1:	C[5]-4:O-2:H-1:H-1:	S[5]-2:S[5]-2:C-4:C-4:	C-4:H-1:	C(C[5]S[5]2C)(OH)(H)2	C[5](S[5]C[5,6a])2(CHHO)(CH3)	O(CC[5]HH)(H)	C(C[5]S[5]2C)(OH)(H)2	C[5](S[5]C[5,6a])2(CHHO)(CH3){2|C<3>}	O(CC[5]HH)(H)	112.0298	1.949	4	112.0298	3.798	4	112.0298	3.798	4	112.0298	3.798	4	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	2:3:4:2:	4:1:	C[5]-4:O-2:H-1:H-1:	O[5]-2:C[5]-3:C-4:O-2:	C-4:H-1:	C(C[5]C[5]O[5]O)(OH)(H)2	C[5](O[5]C[5,5])(C[5]C[5]H)(CHHO)(OH)	O(CC[5]HH)(H)	C(C[5]C[5]O[5]O)(OH)(H)2	C[5](O[5]C[5,5])(C[5]C[5]H)(CHHO)(OH){1|C<4>,1|H<1>,1|O<2>}	O(CC[5]HH)(H)	109.8030	0.000	1	109.8030	0.000	1	109.8030	0.000	1	109.8030	0.000	1	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	3:2:2:4:	4:1:	C[5]-4:O-2:H-1:H-1:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C-4:H-1:	C(C[5]C[6a]O[5]2)(OH)(H)2	C[5](C[6a]C[6a]2)(O[5]C[5])2(CHHO)	O(CC[5]HH)(H)	C(C[5]C[6a]O[5]2)(OH)(H)2	C[5](C[6a]C[6a]2)(O[5]C[5])2(CHHO){1|N<3>,2|C<3>,5|H<1>}	O(CC[5]HH)(H)	112.9440	0.000	1	112.9440	0.000	1	112.9440	0.000	1	112.9440	0.000	1	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	3:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]C)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]C)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	O(CC[5]HH)(H)	112.6950	1.103	3	112.6950	1.216	3	112.8053	0.859	4	112.8053	0.859	4	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	3:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]H)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]H)(O[5]C[5])(CHHO)(H){1|N<3>,2|H<1>}	O(CC[5]HH)(H)	113.1360	0.000	1	113.1360	0.000	1	112.8053	0.859	4	112.8053	0.859	4	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	3:2:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C[6]-4:C-4:	C(C[5]C[5]O[5]H)(OC[6])(H)2	C[5](C[5]C[5]H)(O[5]C[5])(CHHO)(H)	O(C[6]C[6]O[6]H)(CC[5]HH)	C(C[5]C[5]O[5]H)(OC[6])(H)2	C[5](C[5]C[5]H)(O[5]C[5])(CHHO)(H){1|H<1>,1|O<1>}	O(C[6]C[6]O[6]H)(CC[5]HH)	108.0630	0.000	1	108.0630	0.000	1	108.0630	0.000	1	108.0630	0.000	1	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	3:2:4:2:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-3:O[5]-2:C-4:O-2:	C-4:H-1:	C(C[5]C[5]O[5]O)(OH)(H)2	C[5](C[5]C[5]H)(O[5]C[5])(CHHO)(OH)	O(CC[5]HH)(H)	C(C[5]C[5]O[5]O)(OH)(H)2	C[5](C[5]C[5]H)(O[5]C[5])(CHHO)(OH){1|C<4>,1|O<1>}	O(CC[5]HH)(H)	109.7980	0.000	1	109.7980	0.000	1	109.7980	0.000	1	109.7980	0.000	1	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	3:3:2:4:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:C-4:	C-4:H-1:	C(C[5]C[5,6a]C[6a]O[5])(OH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(CHHO)	O(CC[5]HH)(H)	C(C[5]C[5,6a]C[6a]O[5])(OH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(CHHO){1|O<1>,3|H<1>,4|C<3>}	O(CC[5]HH)(H)	112.3110	0.000	1	112.3110	0.000	1	112.3110	0.000	1	112.3110	0.000	1	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	3:3:3:4:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C-4:H-1:	C(C[5]C[5,6a]C[6a]C[5])(OH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHO)	O(CC[5]HH)(H)	C(C[5]C[5,6a]C[6a]C[5])(OH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHO){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	O(CC[5]HH)(H)	112.0895	1.462	4	111.8954	1.792	5	111.8954	1.792	5	111.8954	1.792	5	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	3:3:3:4:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C-4:H-1:	C(C[5]C[5,6a]C[6a]C[5])(OH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHO)	O(CC[5]HH)(H)	C(C[5]C[5,6a]C[6a]C[5])(OH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHO){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	O(CC[5]HH)(H)	111.1190	0.000	1	111.8954	1.792	5	111.8954	1.792	5	111.8954	1.792	5	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	3:3:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:C-4:	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](C[5]C[5]O)(N[5]C[5]H)(CHHO)(H)	O(CC[5]HH)(CC3)	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](C[5]C[5]O)(N[5]C[5]H)(CHHO)(H){1|C<3>,1|C<4>,1|O<1>}	O(CC[5]HH)(CC3)	107.3833	1.067	3	107.3833	1.138	3	107.3833	1.138	3	106.8556	1.279	5	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	3:3:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	N[5]-3:C[5]-3:C-4:H-1:	C-4:C-4:	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(CHHO)(H)	O(CC[5]HH)(CC3)	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(CHHO)(H){1|C<4>,1|O<1>,3|C<3>}	O(CC[5]HH)(CC3)	105.4520	0.000	1	105.4520	0.000	1	105.4520	0.000	1	106.8556	1.279	5	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	3:3:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	S[5]-3:S[5]-3:C-4:H-1:	C-4:C-4:	C(C[5]S[5]2H)(OC)(H)2	C[5](S[5]C[5]O)2(CHHO)(H)	O(CC[5]HH)(CH3)	C(C[5]S[5]2H)(OC)(H)2	C[5](S[5]C[5]O)2(CHHO)(H){4|H<1>}	O(CC[5]HH)(CH3)	106.6760	0.000	1	106.6760	0.000	1	106.6760	0.000	1	106.8556	1.279	5	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	3:3:4:2:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C-4:H-1:	C(C[5]C[5,6a]C[5]O)(OH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHO)(OH)	O(CC[5]HH)(H)	C(C[5]C[5,6a]C[5]O)(OH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHO)(OH){1|C<4>,1|H<1>,2|C<3>}	O(CC[5]HH)(H)	111.2502	1.641	5	111.2502	2.694	5	111.2502	2.694	5	111.2502	2.694	5	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	3:3:4:2:	4:2:	C[5]-4:O-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C-4:O-2:	C(C[5]C[5,6a]C[5]O)(OO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHO)(OO)	O(CC[5]HH)(OC)	C(C[5]C[5,6a]C[5]O)(OO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHO)(OO){2|C<3>,2|H<1>}	O(CC[5]HH)(OC)	114.3050	0.000	1	114.3050	0.000	1	114.3050	0.000	1	114.3050	0.000	1	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	3:3:4:3:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-3:N[5]-3:C-4:C-3:	C-4:C-4:	C(C[5]C[5]N[5]C)(OC)(H)2	C[5](C[5]C[5]O)(N[5]C[5]C)(CHHO)(COO)	O(CC[5]HH)(CC3)	C(C[5]C[5]N[5]C)(OC)(H)2	C[5](C[5]C[5]O)(N[5]C[5]C)(CHHO)(COO){1|C<3>,1|C<4>,1|O<1>}	O(CC[5]HH)(CC3)	107.5207	0.616	3	107.5207	0.379	3	107.5207	0.379	3	107.5207	0.379	3	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	3:3:4:4:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:H-1:	C(C[5]C[5,6a]C[5]C)(OH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(CHHO)	O(CC[5]HH)(H)	C(C[5]C[5,6a]C[5]C)(OH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(CHHO){1|Cl<1>,3|C<3>}	O(CC[5]HH)(H)	109.8960	0.000	1	109.8960	0.000	1	109.8960	0.000	1	110.2170	0.206	2	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	3:3:4:4:	4:1:	C[5]-4:O-2:H-1:H-1:	N[5,6]-3:C[5]-3:C-4:C-4:	C-4:H-1:	C(C[5]N[5,6]C[5]C)(OH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]O)(CHHO)(CH3)	O(CC[5]HH)(H)	C(C[5]N[5,6]C[5]C)(OH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]O)(CHHO)(CH3){1|C<3>,1|O<1>,2|C<4>}	O(CC[5]HH)(H)	110.5380	0.000	1	110.5380	0.000	1	110.5380	0.000	1	110.2170	0.206	2	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	3:3:4:4:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:C-4:	C(C[5]C[5]2C)(OC)(H)2	C[5](C[5]C[5]O)2(CHHO)(CH3)	O(CC[6a]HH)(CC[5]HH)	C(C[5]C[5]2C)(OC)(H)2	C[5](C[5]C[5]O)2(CHHO)(CH3){2|C<4>,2|H<1>}	O(CC[6a]HH)(CC[5]HH)	106.5180	0.000	1	106.5180	0.000	1	106.5180	0.000	1	106.5180	0.000	1	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	3:4:2:4:	4:1:	C[5]-4:O-2:H-1:H-1:	N[6a]-3:C[5]-4:S[5]-2:C-4:	C-4:H-1:	C(C[5]N[6a]C[5]S[5])(OH)(H)2	C[5](N[6a]C[6a]2)(C[5]C[5]FF)(S[5]C[5])(CHHO)	O(CC[5]HH)(H)	C(C[5]N[6a]C[5]S[5])(OH)(H)2	C[5](N[6a]C[6a]2)(C[5]C[5]FF)(S[5]C[5])(CHHO){1|C<3>,1|N<2>,1|O<1>,5|H<1>}	O(CC[5]HH)(H)	112.2070	0.000	1	112.2070	0.000	1	112.2070	0.000	1	112.2070	0.000	1	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	3:4:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-3:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5,6]C)(C[5]O[5]HH)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5,6]C)(C[5]O[5]HH)(CHHO)(H){2|C<4>}	O(CC[5]HH)(H)	111.6090	0.000	1	111.6090	0.000	1	111.6090	0.000	1	112.4393	4.617	11	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	3:4:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	N[4,5]-3:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]N[4,5]C[5]H)(OH)(H)2	C[5](N[4,5]C[4,5]C[4])(C[5]S[5]CC)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]N[4,5]C[5]H)(OH)(H)2	C[5](N[4,5]C[4,5]C[4])(C[5]S[5]CC)(CHHO)(H){1|C<4>,1|H<1>,3|O<1>}	O(CC[5]HH)(H)	110.3090	0.000	1	110.3090	0.000	1	110.3090	0.000	1	112.4393	4.617	11	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	3:4:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]N[5,5]C[5]H)(OH)(H)2	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]N[5,5]C[5]H)(OH)(H)2	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(CHHO)(H){1|H<1>,1|O<1>,4|C<4>}	O(CC[5]HH)(H)	115.4770	0.000	1	115.4770	0.000	1	114.2784	0.453	5	112.4393	4.617	11	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	3:4:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]N[5,5]C[5]H)(OH)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]N[5,5]C[5]H)(OH)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H){1|O<2>,2|C<4>,4|H<1>}	O(CC[5]HH)(H)	113.9787	0.073	4	113.9787	0.005	4	114.2784	0.453	5	112.4393	4.617	11	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	3:4:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	N[5,6]-3:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]N[5,6]C[5]H)(OH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]HH)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]N[5,6]C[5]H)(OH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]HH)(CHHO)(H){1|C<2>,3|C<4>,3|H<1>}	O(CC[5]HH)(H)	108.1260	0.000	1	108.1260	0.000	1	110.9293	6.235	3	112.4393	4.617	11	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	3:4:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	N[5,6]-3:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]N[5,6]C[5]H)(OH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]N[5,6]C[5]H)(OH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(CHHO)(H){3|H<1>,4|C<4>}	O(CC[5]HH)(H)	112.9150	0.000	1	112.9150	0.000	1	110.9293	6.235	3	112.4393	4.617	11	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	3:4:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	N[5,6]-3:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]N[5,6]C[5]H)(OH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]HH)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]N[5,6]C[5]H)(OH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]HH)(CHHO)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	O(CC[5]HH)(H)	111.7470	0.000	1	111.7470	0.000	1	110.9293	6.235	3	112.4393	4.617	11	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	3:4:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	N[5,6a]-3:C[5,5]-4:C-4:H-1:	C-4:H-1:	C(C[5]N[5,6a]C[5,5]H)(OH)(H)2	C[5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]N[5,6a]C[5,5]H)(OH)(H)2	C[5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CHHO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	O(CC[5]HH)(H)	110.7340	0.000	1	110.7340	0.000	1	110.7340	0.000	1	112.4393	4.617	11	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	3:4:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	C-4:C-4:	C(C[5]N[5,5]C[5]H)(OC)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H)	O(CC[6a]HH)(CC[5]HH)	C(C[5]N[5,5]C[5]H)(OC)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H){1|O<2>,3|C<4>,3|H<1>}	O(CC[6a]HH)(CC[5]HH)	110.3860	1.006	4	110.3860	1.012	4	110.1468	1.045	5	109.8374	1.298	11	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	3:4:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	C-4:C-4:	C(C[5]N[5,5]C[5]H)(OC)(H)2	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[6a]N[5]H)(CHHO)(H)	O(CC[5]HH)(CCHH)	C(C[5]N[5,5]C[5]H)(OC)(H)2	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[6a]N[5]H)(CHHO)(H){1|S<2>,4|C<3>}	O(CC[5]HH)(CCHH)	109.1900	0.000	1	109.1900	0.000	1	110.1468	1.045	5	109.8374	1.298	11	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	3:4:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	C-4:Si-4:	C(C[5]N[5,5]C[5]H)(OSi)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H)	O(CC[5]HH)(SiC3)	C(C[5]N[5,5]C[5]H)(OSi)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H){1|O<2>,2|C<4>,4|H<1>}	O(CC[5]HH)(SiC3)	109.0410	0.000	1	109.0410	0.000	1	109.0410	0.000	1	109.8374	1.298	11	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	3:4:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	N[5,6]-3:C[5]-4:C-4:H-1:	Si-4:C-4:	C(C[5]N[5,6]C[5]H)(OSi)(H)2	C[5](N[5,6]C[5,6,6]C[6,6a])(C[5]C[5]HH)(CHHO)(H)	O(SiC[6a]2C)(CC[5]HH)	C(C[5]N[5,6]C[5]H)(OSi)(H)2	C[5](N[5,6]C[5,6,6]C[6,6a])(C[5]C[5]HH)(CHHO)(H){2|C<3>,2|C<4>,2|H<1>}	O(SiC[6a]2C)(CC[5]HH)	110.0610	0.000	1	110.0610	0.000	1	108.8465	2.950	2	109.8374	1.298	11	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	3:4:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	N[5,6]-3:C[5]-4:C-4:H-1:	Si-4:C-4:	C(C[5]N[5,6]C[5]H)(OSi)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHHO)(H)	O(SiC[6a]2C)(CC[5]HH)	C(C[5]N[5,6]C[5]H)(OSi)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHHO)(H){1|C<3>,1|C<4>,1|S<2>,2|O<1>}	O(SiC[6a]2C)(CC[5]HH)	107.6320	0.000	1	107.6320	0.000	1	108.8465	2.950	2	109.8374	1.298	11	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	3:4:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C-4:C-4:	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(CHHO)(H)	O(CC[5]HH)(CH3)	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(CHHO)(H){1|C<3>,1|C<4>,4|H<1>}	O(CC[5]HH)(CH3)	110.4820	1.392	2	110.4820	1.937	2	110.2477	1.133	3	109.8374	1.298	11	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	3:4:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C-4:C-4:	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CHHO)(H)	O(CC[5]HH)(CH3)	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CHHO)(H){2|C<3>,4|H<1>}	O(CC[5]HH)(CH3)	109.7790	0.000	1	109.7790	0.000	1	110.2477	1.133	3	109.8374	1.298	11	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	3:4:4:4:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C-4:H-1:	C(C[5]C[5,6a]C[5]C)(OH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CHHO)2	O(CC[5]HH)(H)	C(C[5]C[5,6a]C[5]C)(OH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CHHO)2{2|C<3>,3|H<1>}	O(CC[5]HH)(H)	113.6148	0.161	4	113.6148	0.026	4	113.5722	0.029	5	113.5722	0.029	5	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	3:4:4:4:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C-4:H-1:	C(C[5]C[5,6a]C[5]C)(OH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CHHN)(CHHO)	O(CC[5]HH)(H)	C(C[5]C[5,6a]C[5]C)(OH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CHHN)(CHHO){2|C<3>,3|H<1>}	O(CC[5]HH)(H)	113.4020	0.000	1	113.4020	0.000	1	113.5722	0.029	5	113.5722	0.029	5	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:2:4:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:O-2:C-4:	C-4:H-1:	C(C[5]C[5]O[5]O)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(CHHO)	O(CC[5]HH)(H)	C(C[5]C[5]O[5]O)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(CHHO){1|C<4>,1|I<1>,2|H<1>}	O(CC[5]HH)(H)	111.2550	0.000	1	111.0528	2.490	9	111.0528	2.490	9	111.0528	2.490	9	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:2:4:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:O-2:C-4:	C-4:H-1:	C(C[5]C[5]O[5]O)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(CHHO)	O(CC[5]HH)(H)	C(C[5]C[5]O[5]O)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(CHHO){1|C<4>,1|O<2>,2|H<1>}	O(CC[5]HH)(H)	110.8863	1.768	7	111.0528	2.490	9	111.0528	2.490	9	111.0528	2.490	9	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:2:4:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:O-2:C-4:	C-4:H-1:	C(C[5]C[5]O[5]O)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(CHHO)	O(CC[5]HH)(H)	C(C[5]C[5]O[5]O)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(CHHO){1|O<2>,3|H<1>}	O(CC[5]HH)(H)	112.0160	0.000	1	111.0528	2.490	9	111.0528	2.490	9	111.0528	2.490	9	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:2:4:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:O-2:C-4:	C-4:C-4:	C(C[5]C[5]O[5]O)(OC)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(CHHO)	O(CC[5]HH)(CCCO)	C(C[5]C[5]O[5]O)(OC)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(CHHO){1|C<4>,1|O<2>,2|H<1>}	O(CC[5]HH)(CCCO)	113.3620	0.000	1	113.3620	0.000	1	111.4445	7.354	2	111.4445	7.354	2	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:2:4:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:O-2:C-4:	C-4:C-4:	C(C[5]C[5]O[5]O)(OC)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(CHHO)	O(CC[6a]HH)(CC[5]HH)	C(C[5]C[5]O[5]O)(OC)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(CHHO){1|C<4>,1|O<2>,2|H<1>}	O(CC[6a]HH)(CC[5]HH)	109.5270	0.000	1	109.5270	0.000	1	111.4445	7.354	2	111.4445	7.354	2	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:3:4:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-3:C-4:	C-4:H-1:	C(C[5]C[5]O[5]C)(OH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CN[5]O)(CHHO)	O(CC[5]HH)(H)	C(C[5]C[5]O[5]C)(OH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CN[5]O)(CHHO){1|C<4>,3|H<1>}	O(CC[5]HH)(H)	113.4530	0.000	1	113.4530	0.000	1	113.4530	0.000	1	113.4530	0.000	1	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[3,5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[3,5]O[5]H)(OH)(H)2	C[5](C[3,5]C[3,5]C[3]C)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[3,5]O[5]H)(OH)(H)2	C[5](C[3,5]C[3,5]C[3]C)(O[5]C[5])(CHHO)(H){1|F<1>,1|N<3>,3|H<1>}	O(CC[5]HH)(H)	110.0820	0.000	1	110.0820	0.000	1	110.0820	0.000	1	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[4,5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[4,5]O[5]H)(OH)(H)2	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[4,5]O[5]H)(OH)(H)2	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H){1|C<3>,1|N<3>,3|H<1>}	O(CC[5]HH)(H)	108.6190	0.000	1	109.6027	1.157	3	109.6027	1.157	3	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[4,5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[4,5]O[5]H)(OH)(H)2	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[4,5]O[5]H)(OH)(H)2	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H){1|C<4>,1|F<1>,1|N<3>,3|H<1>}	O(CC[5]HH)(H)	110.7510	0.000	1	109.6027	1.157	3	109.6027	1.157	3	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[4,5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[4,5]O[5]H)(OH)(H)2	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[4,5]O[5]H)(OH)(H)2	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H){1|C<4>,1|N<3>,4|H<1>}	O(CC[5]HH)(H)	109.4380	0.000	1	109.6027	1.157	3	109.6027	1.157	3	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5,5,6]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5,5,6]O[5]H)(OH)(H)2	C[5](C[5,5,6]C[5,5,6,6]C[6]O[5])(O[5]C[5,6])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5,5,6]O[5]H)(OH)(H)2	C[5](C[5,5,6]C[5,5,6,6]C[6]O[5])(O[5]C[5,6])(CHHO)(H){1|C<3>,3|H<1>,4|C<4>}	O(CC[5]HH)(H)	109.4090	0.000	1	109.4090	0.000	1	110.7450	2.000	3	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5,5,6]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5,5,6]O[5]H)(OH)(H)2	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5,5,6]O[5]H)(OH)(H)2	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(CHHO)(H){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	O(CC[5]HH)(H)	110.6000	0.000	1	110.6000	0.000	1	110.7450	2.000	3	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5,5,6]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5,5,6]O[5]H)(OH)(H)2	C[5](C[5,5,6]C[5,5,6]C[6]O[5])(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5,5,6]O[5]H)(OH)(H)2	C[5](C[5,5,6]C[5,5,6]C[6]O[5])(O[5]C[5])(CHHO)(H){1|C<3>,3|H<1>,4|C<4>}	O(CC[5]HH)(H)	112.2260	0.000	1	112.2260	0.000	1	110.7450	2.000	3	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:N[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5,5]N[5]H)(OH)(H)2	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5,5]N[5]H)(OH)(H)2	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5])(CHHO)(H){1|H<1>,1|O<2>,2|C<4>}	O(CC[5]HH)(H)	109.6820	0.000	1	109.6820	0.000	1	109.6820	0.000	1	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5,5]O[5]H)(OH)(H)2	C[5](C[5,5]C[3x5]C[5]O)(O[5]C[5,5])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5,5]O[5]H)(OH)(H)2	C[5](C[5,5]C[3x5]C[5]O)(O[5]C[5,5])(CHHO)(H){1|C<4>,1|H<1>,1|O<1>,3|O<2>}	O(CC[5]HH)(H)	108.5420	0.000	1	108.5420	0.000	1	109.7281	2.525	17	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5,5]O[5]H)(OH)(H)2	C[5](C[5,5]C[5,5,6]O[5]H)(O[5]C[5,6])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5,5]O[5]H)(OH)(H)2	C[5](C[5,5]C[5,5,6]O[5]H)(O[5]C[5,6])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(CC[5]HH)(H)	111.0610	0.000	1	111.0610	0.000	1	109.7281	2.525	17	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5,5]O[5]H)(OH)(H)2	C[5](C[5,5]C[5,5,6]O[5]H)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5,5]O[5]H)(OH)(H)2	C[5](C[5,5]C[5,5,6]O[5]H)(O[5]C[5])(CHHO)(H){1|N<3>,2|C<4>,2|H<1>}	O(CC[5]HH)(H)	107.5790	0.000	1	107.5790	0.000	1	109.7281	2.525	17	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5,5]O[5]H)(OH)(H)2	C[5](C[5,5]C[5,5]N[5]H)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5,5]O[5]H)(OH)(H)2	C[5](C[5,5]C[5,5]N[5]H)(O[5]C[5])(CHHO)(H){1|H<1>,1|O<1>,1|S<4>,2|C<4>}	O(CC[5]HH)(H)	111.0710	0.000	1	111.0710	0.000	1	109.7281	2.525	17	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5,5]O[5]H)(OH)(H)2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5,5]O[5]H)(OH)(H)2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(CHHO)(H){1|H<1>,2|C<4>,2|O<2>}	O(CC[5]HH)(H)	110.8153	1.348	4	110.8153	1.817	4	109.7281	2.525	17	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5,5]O[5]H)(OH)(H)2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5,6])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5,5]O[5]H)(OH)(H)2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5,6])(CHHO)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	O(CC[5]HH)(H)	107.4200	0.000	1	107.4200	0.000	1	109.7281	2.525	17	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5,5]O[5]H)(OH)(H)2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5,5]O[5]H)(OH)(H)2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(CC[5]HH)(H)	111.4610	0.000	1	109.3230	2.748	6	109.7281	2.525	17	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5,5]O[5]H)(OH)(H)2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5,5]O[5]H)(OH)(H)2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(CC[5]HH)(H)	109.3773	1.097	4	109.3230	2.748	6	109.7281	2.525	17	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5,5]O[5]H)(OH)(H)2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5,5]O[5]H)(OH)(H)2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H){1|O<1>,1|O<2>,2|C<4>}	O(CC[5]HH)(H)	106.9680	0.000	1	109.3230	2.748	6	109.7281	2.525	17	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5,5]O[5]H)(OH)(H)2	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5,5]O[5]H)(OH)(H)2	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(CHHO)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	O(CC[5]HH)(H)	110.3140	0.000	1	110.3140	0.000	1	109.7281	2.525	17	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5,5]O[5]H)(OH)(H)2	C[5](C[5,5]C[5]N[5]2)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5,5]O[5]H)(OH)(H)2	C[5](C[5,5]C[5]N[5]2)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<2>,1|S<1>,4|H<1>}	O(CC[5]HH)(H)	110.1910	0.000	1	110.1910	0.000	1	109.7281	2.525	17	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5,6]O[5]H)(OH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5,6]O[5]H)(OH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CHHO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	O(CC[5]HH)(H)	113.4590	0.000	1	113.4590	0.000	1	111.7157	4.949	3	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5,6]O[5]H)(OH)(H)2	C[5](C[5,6]C[5,6]S[6]H)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5,6]O[5]H)(OH)(H)2	C[5](C[5,6]C[5,6]S[6]H)(O[5]C[5])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|O<1>}	O(CC[5]HH)(H)	109.2100	0.000	1	110.8440	5.340	2	111.7157	4.949	3	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5,6]O[5]H)(OH)(H)2	C[5](C[5,6]C[5,6]S[6]H)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5,6]O[5]H)(OH)(H)2	C[5](C[5,6]C[5,6]S[6]H)(O[5]C[5])(CHHO)(H){1|C<4>,2|H<1>,2|N<3>,2|O<1>}	O(CC[5]HH)(H)	112.4780	0.000	1	110.8440	5.340	2	111.7157	4.949	3	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[6a]O[5]H)(N[5]C[5])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[6a]O[5]H)(N[5]C[5])(CHHO)(H){3|C<3>}	O(CC[5]HH)(H)	110.9890	0.000	1	110.9890	0.000	1	112.2498	2.303	5	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]O[5]HH)(N[5]C[5])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]O[5]HH)(N[5]C[5])(CHHO)(H){1|C<3>}	O(CC[5]HH)(H)	112.5863	1.900	3	112.5650	2.408	4	112.2498	2.303	5	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]O[5]HH)(N[5]C[5])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]O[5]HH)(N[5]C[5])(CHHO)(H){1|C<4>}	O(CC[5]HH)(H)	112.5010	0.000	1	112.5650	2.408	4	112.2498	2.303	5	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:F-1:	C-4:H-1:	C(C[5]C[5]O[5]F)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(F)	O(CC[5]HH)(H)	C(C[5]C[5]O[5]F)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(F){1|F<1>,1|N<3>,2|H<1>}	O(CC[5]HH)(H)	110.0410	0.000	1	110.1153	0.030	3	110.1153	0.030	3	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:F-1:	C-4:H-1:	C(C[5]C[5]O[5]F)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(F)	O(CC[5]HH)(H)	C(C[5]C[5]O[5]F)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(F){1|N<3>,1|O<2>,2|H<1>}	O(CC[5]HH)(H)	110.1525	0.226	2	110.1153	0.030	3	110.1153	0.030	3	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[4,5]HO)(O[5]C[4,5])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[4,5]HO)(O[5]C[4,5])(CHHO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>}	O(CC[5]HH)(H)	111.8390	0.000	1	111.8390	0.000	1	111.3352	3.781	313	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	O(CC[5]HH)(H)	109.7600	0.000	1	109.7600	0.000	1	111.3352	3.781	313	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	O(CC[5]HH)(H)	113.2230	0.011	2	111.6704	4.300	7	111.3352	3.781	313	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>}	O(CC[5]HH)(H)	112.0770	0.000	1	111.6704	4.300	7	111.3352	3.781	313	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){1|C<4>,1|H<1>,2|O<2>}	O(CC[5]HH)(H)	107.3910	0.000	1	111.6704	4.300	7	111.3352	3.781	313	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){1|N<2>,1|O<2>,2|H<1>}	O(CC[5]HH)(H)	113.1320	0.000	1	111.6704	4.300	7	111.3352	3.781	313	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){2|H<1>,2|O<2>}	O(CC[5]HH)(H)	111.3235	0.350	2	111.6704	4.300	7	111.3352	3.781	313	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CHHO)(H){1|H<1>,3|C<4>}	O(CC[5]HH)(H)	114.0570	0.000	1	112.1670	7.144	2	111.3352	3.781	313	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CHHO)(H){1|O<2>,1|S<4>,2|C<4>}	O(CC[5]HH)(H)	110.2770	0.000	1	112.1670	7.144	2	111.3352	3.781	313	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	O(CC[5]HH)(H)	111.5370	0.000	1	111.5370	0.000	1	111.3352	3.781	313	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CHHO)(H){2|C<3>}	O(CC[5]HH)(H)	112.5790	0.000	1	112.5790	0.000	1	111.3352	3.781	313	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]CC)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]CC)(O[5]C[5])(CHHO)(H){1|H<1>,1|N<3>,2|F<1>}	O(CC[5]HH)(H)	111.4510	0.000	1	111.4510	0.000	1	111.3352	3.781	313	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	O(CC[5]HH)(H)	109.5040	0.000	1	110.4335	1.728	2	111.3352	3.781	313	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(H){1|H<1>,1|N<4>,1|O<1>}	O(CC[5]HH)(H)	111.3630	0.000	1	110.4335	1.728	2	111.3352	3.781	313	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]CH)(O[5]N[5])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]CH)(O[5]N[5])(CHHO)(H){1|H<1>,2|C<3>}	O(CC[5]HH)(H)	110.5050	0.000	1	110.5050	0.000	1	111.3352	3.781	313	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]FH)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]FH)(O[5]C[5])(CHHO)(H){1|F<1>,1|N<3>,2|H<1>}	O(CC[5]HH)(H)	108.7973	1.909	3	109.8840	2.069	9	111.3352	3.781	313	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]FH)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]FH)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	O(CC[5]HH)(H)	110.4273	0.889	6	109.8840	2.069	9	111.3352	3.781	313	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|C<4>,1|H<1>,1|O<1>}	O(CC[5]HH)(H)	113.9520	0.000	1	111.0020	3.003	9	111.3352	3.781	313	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|N<2>,2|C<4>}	O(CC[5]HH)(H)	112.3760	0.000	1	111.0020	3.003	9	111.3352	3.781	313	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	O(CC[5]HH)(H)	111.1707	1.871	3	111.0020	3.003	9	111.3352	3.781	313	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	O(CC[5]HH)(H)	109.7945	0.415	4	111.0020	3.003	9	111.3352	3.781	313	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HI)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HI)(O[5]C[5])(CHHO)(H){1|C<4>,1|H<1>,2|O<2>}	O(CC[5]HH)(H)	112.2010	0.000	1	112.2010	0.000	1	111.3352	3.781	313	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HN)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HN)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	O(CC[5]HH)(H)	110.7107	0.862	4	110.7107	0.744	4	111.3352	3.781	313	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[4,5])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[4,5])(CHHO)(H){1|H<1>,1|O<2>,2|C<4>}	O(CC[5]HH)(H)	109.6165	0.713	2	109.6165	0.509	2	111.3352	3.781	313	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5,6])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5,6])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	O(CC[5]HH)(H)	112.2240	0.000	1	112.2240	0.000	1	111.3352	3.781	313	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|Br<1>,1|F<1>,1|H<1>,1|N<3>}	O(CC[5]HH)(H)	110.9265	1.692	2	111.4251	3.904	259	111.3352	3.781	313	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|Br<1>,1|N<3>,2|H<1>}	O(CC[5]HH)(H)	109.6460	0.000	1	111.4251	3.904	259	111.3352	3.781	313	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<2>,1|C<4>,1|O<1>}	O(CC[5]HH)(H)	112.4840	0.000	1	111.4251	3.904	259	111.3352	3.781	313	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,1|C<4>,1|O<1>}	O(CC[5]HH)(H)	112.5160	0.000	1	111.4251	3.904	259	111.3352	3.781	313	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	O(CC[5]HH)(H)	108.2640	0.000	1	111.4251	3.904	259	111.3352	3.781	313	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	O(CC[5]HH)(H)	110.4527	1.528	26	111.4251	3.904	259	111.3352	3.781	313	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,3|H<1>}	O(CC[5]HH)(H)	110.9038	2.030	11	111.4251	3.904	259	111.3352	3.781	313	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>}	O(CC[5]HH)(H)	108.4740	0.000	1	111.4251	3.904	259	111.3352	3.781	313	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|F<1>,1|O<1>}	O(CC[5]HH)(H)	112.8390	0.000	1	111.4251	3.904	259	111.3352	3.781	313	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>}	O(CC[5]HH)(H)	109.3317	1.695	3	111.4251	3.904	259	111.3352	3.781	313	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|H<1>,2|O<2>}	O(CC[5]HH)(H)	111.8816	1.626	8	111.4251	3.904	259	111.3352	3.781	313	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|O<1>,1|O<2>}	O(CC[5]HH)(H)	111.6315	1.658	2	111.4251	3.904	259	111.3352	3.781	313	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	O(CC[5]HH)(H)	111.1090	0.000	1	111.4251	3.904	259	111.3352	3.781	313	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,3|H<1>}	O(CC[5]HH)(H)	112.0478	2.472	5	111.4251	3.904	259	111.3352	3.781	313	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|F<1>,1|N<3>,2|H<1>}	O(CC[5]HH)(H)	111.6752	2.511	11	111.4251	3.904	259	111.3352	3.781	313	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|H<1>,1|N<3>,1|O<1>}	O(CC[5]HH)(H)	111.5360	0.000	1	111.4251	3.904	259	111.3352	3.781	313	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|H<1>,1|N<3>,2|F<1>}	O(CC[5]HH)(H)	112.5790	0.000	1	111.4251	3.904	259	111.3352	3.781	313	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|H<1>,1|O<2>,2|C<4>}	O(CC[5]HH)(H)	113.3350	0.000	1	111.4251	3.904	259	111.3352	3.781	313	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	O(CC[5]HH)(H)	111.6103	1.971	57	111.4251	3.904	259	111.3352	3.781	313	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	O(CC[5]HH)(H)	111.5676	2.023	116	111.4251	3.904	259	111.3352	3.781	313	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|O<2>,3|H<1>}	O(CC[5]HH)(H)	110.8510	2.421	2	111.4251	3.904	259	111.3352	3.781	313	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){2|H<1>,2|O<2>}	O(CC[5]HH)(H)	112.0753	1.523	6	111.4251	3.904	259	111.3352	3.781	313	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]N[5]H)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]N[5]H)(O[5]C[5])(CHHO)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	O(CC[5]HH)(H)	111.7490	0.000	1	111.7490	0.000	1	111.3352	3.781	313	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]N[5]HH)(O[5]C[5,5])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]N[5]HH)(O[5]C[5,5])(CHHO)(H){3|C<3>}	O(CC[5]HH)(H)	107.6225	0.131	2	107.6225	0.017	2	111.3352	3.781	313	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<1>}	O(CC[5]HH)(H)	111.5640	0.000	1	111.5640	0.000	1	111.3352	3.781	313	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]O[5]CH)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]O[5]CH)(O[5]C[5])(CHHO)(H){2|C<4>}	O(CC[5]HH)(H)	111.5999	2.087	7	111.5999	4.357	7	111.3352	3.781	313	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:S[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]S[5]H)(OH)(H)2	C[5](C[5]C[5]CO)(S[5]C[5])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]S[5]H)(OH)(H)2	C[5](C[5]C[5]CO)(S[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	O(CC[5]HH)(H)	111.0700	0.000	1	111.0700	0.000	1	111.6240	1.008	3	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:S[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]S[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(S[5]C[5])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]S[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(S[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	O(CC[5]HH)(H)	111.0190	0.000	1	111.0190	0.000	1	111.6240	1.008	3	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:S[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]S[5]H)(OH)(H)2	C[5](C[5]N[5]HH)(S[5]C[5])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]S[5]H)(OH)(H)2	C[5](C[5]N[5]HH)(S[5]C[5])(CHHO)(H){1|N<2>,1|S<4>}	O(CC[5]HH)(H)	112.7830	0.000	1	112.7830	0.000	1	111.6240	1.008	3	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:Se[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]Se[5]C[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(Se[5]C[5])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]Se[5]C[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(Se[5]C[5])(CHHO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>}	O(CC[5]HH)(H)	110.2137	1.277	3	109.7618	1.384	5	109.7618	1.384	5	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:Se[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]Se[5]C[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(Se[5]C[5])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]Se[5]C[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(Se[5]C[5])(CHHO)(H){1|N<3>,1|O<1>,2|H<1>}	O(CC[5]HH)(H)	108.4740	0.000	1	109.7618	1.384	5	109.7618	1.384	5	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:Se[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]Se[5]C[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(Se[5]C[5])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]Se[5]C[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(Se[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	O(CC[5]HH)(H)	109.6940	0.000	1	109.7618	1.384	5	109.7618	1.384	5	111.2171	3.730	357	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[4,5]-4:O[5]-2:C-4:H-1:	C-4:C-4:	C(C[5]C[4,5]O[5]H)(OC)(H)2	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(CHHO)	C(C[5]C[4,5]O[5]H)(OC)(H)2	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H){1|C<4>,1|O<1>,3|H<1>}	O(CC[5]HH)(CHHO)	118.0830	0.000	1	118.0830	0.000	1	118.0830	0.000	1	109.0789	5.268	91	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:C-4:	C(C[5]C[5,5]O[5]H)(OC)(H)2	C[5](C[5,5]C[3x5]O[5]H)(O[5]C[5,5])(CHHO)(H)	O(CC[5]HH)(CH3)	C(C[5]C[5,5]O[5]H)(OC)(H)2	C[5](C[5,5]C[3x5]O[5]H)(O[5]C[5,5])(CHHO)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O(CC[5]HH)(CH3)	114.2720	0.000	2	114.2720	0.000	2	111.5607	12.790	4	109.0789	5.268	91	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:C-4:	C(C[5]C[5,5]O[5]H)(OC)(H)2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(CC[6a]3)	C(C[5]C[5,5]O[5]H)(OC)(H)2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(CC[5]HH)(CC[6a]3)	106.7320	0.000	1	106.7320	0.000	1	111.5607	12.790	4	109.0789	5.268	91	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:C-4:	C(C[5]C[5,5]O[5]H)(OC)(H)2	C[5](C[5,5]N[5,6a]C[5,5]H)(O[5]C[5])(CHHO)(H)	O(CC[6a]HH)(CC[5]HH)	C(C[5]C[5,5]O[5]H)(OC)(H)2	C[5](C[5,5]N[5,6a]C[5,5]H)(O[5]C[5])(CHHO)(H){2|C<3>,2|H<1>,2|O<2>}	O(CC[6a]HH)(CC[5]HH)	110.9670	0.000	1	110.9670	0.000	1	111.5607	12.790	4	109.0789	5.268	91	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:P-4:	C(C[5]C[5,5]O[5]H)(OP)(H)2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(PO3)	C(C[5]C[5,5]O[5]H)(OP)(H)2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	O(CC[5]HH)(PO3)	106.1825	0.747	2	106.1825	0.559	2	106.1825	0.559	2	109.0789	5.268	91	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:Si-4:	C(C[5]C[5,5]O[5]H)(OSi)(H)2	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(SiC3)	C(C[5]C[5,5]O[5]H)(OSi)(H)2	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CHHO)(H){1|O<1>,2|C<4>,3|H<1>}	O(CC[5]HH)(SiC3)	108.3640	0.000	1	108.3640	0.000	1	107.8275	0.576	2	109.0789	5.268	91	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:Si-4:	C(C[5]C[5,5]O[5]H)(OSi)(H)2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(CHHO)(H)	O(CC[5]HH)(SiC3)	C(C[5]C[5,5]O[5]H)(OSi)(H)2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(CHHO)(H){1|H<1>,2|C<4>,2|O<2>}	O(CC[5]HH)(SiC3)	107.2910	0.000	1	107.2910	0.000	1	107.8275	0.576	2	109.0789	5.268	91	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	Si-4:C-4:	C(C[5]C[5,5]O[5]H)(OSi)(H)2	C[5](C[5,5]C[3x5]O[5]H)(O[5]C[5,5])(CHHO)(H)	O(SiC[6a]2C)(CC[5]HH)	C(C[5]C[5,5]O[5]H)(OSi)(H)2	C[5](C[5,5]C[3x5]O[5]H)(O[5]C[5,5])(CHHO)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(SiC[6a]2C)(CC[5]HH)	106.5240	0.000	1	106.5240	0.000	1	107.4365	1.665	2	109.0789	5.268	91	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	Si-4:C-4:	C(C[5]C[5,5]O[5]H)(OSi)(H)2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H)	O(SiC[6a]2C)(CC[5]HH)	C(C[5]C[5,5]O[5]H)(OSi)(H)2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H){1|O<1>,1|O<2>,2|C<4>}	O(SiC[6a]2C)(CC[5]HH)	108.3490	0.000	1	108.3490	0.000	1	107.4365	1.665	2	109.0789	5.268	91	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C-4:C-4:	C(C[5]C[5,6]O[5]H)(OC)(H)2	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6,6])(CHHO)(H)	O(CC[5]HH)(CCCO)	C(C[5]C[5,6]O[5]H)(OC)(H)2	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6,6])(CHHO)(H){3|C<4>,4|H<1>}	O(CC[5]HH)(CCCO)	111.5870	0.000	1	111.5870	0.000	1	109.1403	6.277	3	109.0789	5.268	91	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C-4:C-4:	C(C[5]C[5,6]O[5]H)(OC)(H)2	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5,6])(CHHO)(H)	O(CC[5]HH)(CCHH)	C(C[5]C[5,6]O[5]H)(OC)(H)2	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5,6])(CHHO)(H){1|C<3>,1|N<3>,4|H<1>}	O(CC[5]HH)(CCHH)	106.5800	0.000	1	106.5800	0.000	1	109.1403	6.277	3	109.0789	5.268	91	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C-4:C-4:	C(C[5]C[5,6]O[5]H)(OC)(H)2	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5,6])(CHHO)(H)	O(CC[6a]HH)(CC[5]HH)	C(C[5]C[5,6]O[5]H)(OC)(H)2	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5,6])(CHHO)(H){1|S<4>,2|C<4>,3|H<1>}	O(CC[6a]HH)(CC[5]HH)	109.2540	0.000	1	109.2540	0.000	1	109.1403	6.277	3	109.0789	5.268	91	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C-4:Si-4:	C(C[5]C[5,6]O[5]H)(OSi)(H)2	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(SiC3)	C(C[5]C[5,6]O[5]H)(OSi)(H)2	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	O(CC[5]HH)(SiC3)	110.1650	0.000	1	110.1650	0.000	1	110.1650	0.000	1	109.0789	5.268	91	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:C-4:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(CHHO)(H)	O(CC[6a]HH)(CC[5]HH)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	O(CC[6a]HH)(CC[5]HH)	109.7760	0.000	1	109.7760	0.000	1	108.6180	4.803	21	109.0789	5.268	91	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:C-4:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	O(CC[5]HH)(CC[6a]3)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){2|H<1>,2|O<2>}	O(CC[5]HH)(CC[6a]3)	104.3090	0.000	1	104.3090	0.000	1	108.6180	4.803	21	109.0789	5.268	91	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:C-4:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	O(CC[5]HH)2	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){2|H<1>,2|O<2>}	O(CC[5]HH)2	108.3670	1.857	4	108.3670	3.448	4	108.6180	4.803	21	109.0789	5.268	91	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:C-4:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	O(CC[6a]HH)(CC[5]HH)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){2|H<1>,2|O<2>}	O(CC[6a]HH)(CC[5]HH)	108.4300	0.824	3	108.4300	0.680	3	108.6180	4.803	21	109.0789	5.268	91	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:C-4:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HH)(O[5]N[5])(CHHO)(H)	O(CC[5]HH)2	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HH)(O[5]N[5])(CHHO)(H){1|H<1>,2|C<4>}	O(CC[5]HH)2	115.2410	0.000	1	115.2410	0.000	1	108.6180	4.803	21	109.0789	5.268	91	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:C-4:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(CC[6a]3)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,3|H<1>}	O(CC[5]HH)(CC[6a]3)	106.8110	0.000	1	107.5250	1.020	2	108.6180	4.803	21	109.0789	5.268	91	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:C-4:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(CC[6a]3)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){2|H<1>,2|O<2>}	O(CC[5]HH)(CC[6a]3)	108.2390	0.000	1	107.5250	1.020	2	108.6180	4.803	21	109.0789	5.268	91	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:C-4:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(CH3)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	O(CC[5]HH)(CH3)	108.7510	1.417	2	108.7510	2.008	2	108.6180	4.803	21	109.0789	5.268	91	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:C-4:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(CC[6a]HH)(CC[5]HH)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|F<1>,1|O<1>}	O(CC[6a]HH)(CC[5]HH)	110.6750	0.000	1	108.4587	2.734	6	108.6180	4.803	21	109.0789	5.268	91	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:C-4:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(CC[6a]HH)(CC[5]HH)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	O(CC[6a]HH)(CC[5]HH)	107.8280	0.136	2	108.4587	2.734	6	108.6180	4.803	21	109.0789	5.268	91	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:C-4:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(CC[6a]HH)(CC[5]HH)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|O<1>,2|C<4>}	O(CC[6a]HH)(CC[5]HH)	109.9890	0.000	1	108.4587	2.734	6	108.6180	4.803	21	109.0789	5.268	91	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:C-4:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(CC[6a]HH)(CC[5]HH)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|Se<4>,1|O<2>,2|H<1>}	O(CC[6a]HH)(CC[5]HH)	108.3370	0.000	1	108.4587	2.734	6	108.6180	4.803	21	109.0789	5.268	91	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:C-4:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(CC[6a]HH)(CC[5]HH)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){2|H<1>,2|O<2>}	O(CC[6a]HH)(CC[5]HH)	106.0950	0.000	1	108.4587	2.734	6	108.6180	4.803	21	109.0789	5.268	91	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:C-4:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(CH3)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<1>}	O(CC[5]HH)(CH3)	109.5910	0.000	1	109.5910	0.000	1	108.6180	4.803	21	109.0789	5.268	91	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:P-4:	C(C[5]C[5]O[5]H)(OP)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(PNOO)	C(C[5]C[5]O[5]H)(OP)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<2>,1|C<3>,1|H<1>,1|O<2>}	O(CC[5]HH)(PNOO)	106.5600	0.000	1	109.5877	6.882	3	109.4824	2.300	14	109.0789	5.268	91	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:P-4:	C(C[5]C[5]O[5]H)(OP)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(PNOO)	C(C[5]C[5]O[5]H)(OP)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>}	O(CC[5]HH)(PNOO)	111.1850	0.000	1	109.5877	6.882	3	109.4824	2.300	14	109.0789	5.268	91	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:P-4:	C(C[5]C[5]O[5]H)(OP)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(PNOO)	C(C[5]C[5]O[5]H)(OP)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	O(CC[5]HH)(PNOO)	111.0180	0.000	1	109.5877	6.882	3	109.4824	2.300	14	109.0789	5.268	91	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:P-4:	C(C[5]C[5]O[5]H)(OP)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(PO3)	C(C[5]C[5]O[5]H)(OP)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	O(CC[5]HH)(PO3)	109.2299	1.261	7	109.4537	1.610	11	109.4824	2.300	14	109.0789	5.268	91	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:P-4:	C(C[5]C[5]O[5]H)(OP)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(PO3)	C(C[5]C[5]O[5]H)(OP)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	O(CC[5]HH)(PO3)	109.8455	1.365	4	109.4537	1.610	11	109.4824	2.300	14	109.0789	5.268	91	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:S-4:	C(C[5]C[5]O[5]H)(OS)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(SNOO)	C(C[5]C[5]O[5]H)(OS)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	O(CC[5]HH)(SNOO)	108.7660	0.666	2	108.7660	0.444	2	108.5587	0.351	3	109.0789	5.268	91	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:S-4:	C(C[5]C[5]O[5]H)(OS)(H)2	C[5](C[5]N[5]CH)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(SCOO)	C(C[5]C[5]O[5]H)(OS)(H)2	C[5](C[5]N[5]CH)(O[5]C[5])(CHHO)(H){1|H<1>,1|O<1>}	O(CC[5]HH)(SCOO)	108.1440	0.000	1	108.1440	0.000	1	108.5587	0.351	3	109.0789	5.268	91	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:Si-4:	C(C[5]C[5]O[5]H)(OSi)(H)2	C[5](C[5]C[5]HI)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(SiC3)	C(C[5]C[5]O[5]H)(OSi)(H)2	C[5](C[5]C[5]HI)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	O(CC[5]HH)(SiC3)	105.3820	0.000	1	105.3820	0.000	1	109.8375	3.932	13	109.0789	5.268	91	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:Si-4:	C(C[5]C[5]O[5]H)(OSi)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(SiC3)	C(C[5]C[5]O[5]H)(OSi)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,1|H<1>,2|O<2>}	O(CC[5]HH)(SiC3)	109.4140	0.126	2	110.2088	2.334	12	109.8375	3.932	13	109.0789	5.268	91	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:Si-4:	C(C[5]C[5]O[5]H)(OSi)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(SiC3)	C(C[5]C[5]O[5]H)(OSi)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|Cl<1>,1|H<1>,1|O<1>}	O(CC[5]HH)(SiC3)	110.2700	0.000	1	110.2088	2.334	12	109.8375	3.932	13	109.0789	5.268	91	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:Si-4:	C(C[5]C[5]O[5]H)(OSi)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(SiC3)	C(C[5]C[5]O[5]H)(OSi)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	O(CC[5]HH)(SiC3)	107.9130	0.000	1	110.2088	2.334	12	109.8375	3.932	13	109.0789	5.268	91	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:Si-4:	C(C[5]C[5]O[5]H)(OSi)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(CC[5]HH)(SiC3)	C(C[5]C[5]O[5]H)(OSi)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	O(CC[5]HH)(SiC3)	110.6869	1.572	8	110.2088	2.334	12	109.8375	3.932	13	109.0789	5.268	91	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:	C(C[5]C[5]O[5]H)(OC[5])(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(H)	O(C[5]C[5]O[5]H)(CC[5]HH)	C(C[5]C[5]O[5]H)(OC[5])(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(H){1|O<2>,3|H<1>}	O(C[5]C[5]O[5]H)(CC[5]HH)	112.2120	0.000	1	112.2120	0.000	1	112.8125	0.721	2	109.0789	5.268	91	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:	C(C[5]C[5]O[5]H)(OC[5])(H)2	C[5](C[5]C[5]HH)(O[5]N[5])(CHHO)(H)	O(C[5]C[5,5]C[5]H)(CC[5]HH)	C(C[5]C[5]O[5]H)(OC[5])(H)2	C[5](C[5]C[5]HH)(O[5]N[5])(CHHO)(H){1|H<1>,2|C<4>}	O(C[5]C[5,5]C[5]H)(CC[5]HH)	113.4130	0.000	1	113.4130	0.000	1	112.8125	0.721	2	109.0789	5.268	91	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	P[6]-4:C-4:	C(C[5]C[5]O[5]H)(OP[6])(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(P[6]O[6]2O)(CC[5]HH)	C(C[5]C[5]O[5]H)(OP[6])(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,3|H<1>}	O(P[6]O[6]2O)(CC[5]HH)	109.6570	0.000	1	109.6570	0.000	1	109.6570	0.000	1	109.0789	5.268	91	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	S-4:C-4:	C(C[5]C[5]O[5]H)(OS)(H)2	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CHHO)(H)	O(SC[6a]OO)(CC[5]HH)	C(C[5]C[5]O[5]H)(OS)(H)2	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CHHO)(H){2|H<1>,2|O<2>}	O(SC[6a]OO)(CC[5]HH)	108.8840	0.000	1	108.8840	0.000	1	107.6528	2.063	17	109.0789	5.268	91	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	S-4:C-4:	C(C[5]C[5]O[5]H)(OS)(H)2	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(CHHO)(H)	O(SC[6a]OO)(CC[5]HH)	C(C[5]C[5]O[5]H)(OS)(H)2	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(CHHO)(H){2|H<1>,2|O<2>}	O(SC[6a]OO)(CC[5]HH)	107.3075	0.446	2	107.3075	0.199	2	107.6528	2.063	17	109.0789	5.268	91	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	S-4:C-4:	C(C[5]C[5]O[5]H)(OS)(H)2	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	O(SC[6a]OO)(CC[5]HH)	C(C[5]C[5]O[5]H)(OS)(H)2	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){1|C<4>,1|H<1>,2|O<2>}	O(SC[6a]OO)(CC[5]HH)	107.7070	1.653	2	107.7475	6.043	4	107.6528	2.063	17	109.0789	5.268	91	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	S-4:C-4:	C(C[5]C[5]O[5]H)(OS)(H)2	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	O(SC[6a]OO)(CC[5]HH)	C(C[5]C[5]O[5]H)(OS)(H)2	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){2|H<1>,2|O<2>}	O(SC[6a]OO)(CC[5]HH)	107.7880	3.923	2	107.7475	6.043	4	107.6528	2.063	17	109.0789	5.268	91	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	S-4:C-4:	C(C[5]C[5]O[5]H)(OS)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	O(SC[6a]OO)(CC[5]HH)	C(C[5]C[5]O[5]H)(OS)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	O(SC[6a]OO)(CC[5]HH)	107.5220	0.000	1	107.5220	0.000	1	107.6528	2.063	17	109.0789	5.268	91	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	S-4:C-4:	C(C[5]C[5]O[5]H)(OS)(H)2	C[5](C[5]C[5]HH)(O[5]N[5])(CHHO)(H)	O(SC[6a]OO)(CC[5]HH)	C(C[5]C[5]O[5]H)(OS)(H)2	C[5](C[5]C[5]HH)(O[5]N[5])(CHHO)(H){1|C<3>}	O(SC[6a]OO)(CC[5]HH)	109.1040	0.000	1	108.1517	1.630	3	107.6528	2.063	17	109.0789	5.268	91	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	S-4:C-4:	C(C[5]C[5]O[5]H)(OS)(H)2	C[5](C[5]C[5]HH)(O[5]N[5])(CHHO)(H)	O(SC[6a]OO)(CC[5]HH)	C(C[5]C[5]O[5]H)(OS)(H)2	C[5](C[5]C[5]HH)(O[5]N[5])(CHHO)(H){1|H<1>,2|C<4>}	O(SC[6a]OO)(CC[5]HH)	107.6755	1.378	2	108.1517	1.630	3	107.6528	2.063	17	109.0789	5.268	91	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	S-4:C-4:	C(C[5]C[5]O[5]H)(OS)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(SC[6a]OO)(CC[5]HH)	C(C[5]C[5]O[5]H)(OS)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	O(SC[6a]OO)(CC[5]HH)	107.3300	0.000	1	107.7213	0.443	3	107.6528	2.063	17	109.0789	5.268	91	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	S-4:C-4:	C(C[5]C[5]O[5]H)(OS)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(SC[6a]OO)(CC[5]HH)	C(C[5]C[5]O[5]H)(OS)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	O(SC[6a]OO)(CC[5]HH)	108.4900	0.000	1	107.7213	0.443	3	107.6528	2.063	17	109.0789	5.268	91	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	S-4:C-4:	C(C[5]C[5]O[5]H)(OS)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(SC[6a]OO)(CC[5]HH)	C(C[5]C[5]O[5]H)(OS)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|O<2>,3|H<1>}	O(SC[6a]OO)(CC[5]HH)	107.3440	0.000	1	107.7213	0.443	3	107.6528	2.063	17	109.0789	5.268	91	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	S-4:C-4:	C(C[5]C[5]O[5]H)(OS)(H)2	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CHHO)(H)	O(SC[6a]OO)(CC[5]HH)	C(C[5]C[5]O[5]H)(OS)(H)2	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CHHO)(H){1|H<1>,1|O<2>,3|C<4>}	O(SC[6a]OO)(CC[5]HH)	108.6240	0.000	1	108.6240	0.000	1	107.6528	2.063	17	109.0789	5.268	91	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	S-4:C-4:	C(C[5]C[5]O[5]H)(OS)(H)2	C[5](C[5]O[5]CH)(O[5]C[5])(CHHO)(H)	O(SC[6a]OO)(CC[5]HH)	C(C[5]C[5]O[5]H)(OS)(H)2	C[5](C[5]O[5]CH)(O[5]C[5])(CHHO)(H){2|C<4>}	O(SC[6a]OO)(CC[5]HH)	105.2020	0.000	1	105.2020	0.000	1	107.6528	2.063	17	109.0789	5.268	91	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	S-4:C-4:	C(C[5]C[5]O[5]H)(OS)(H)2	C[5](C[5]O[5]HH)(O[5]C[5])(CHHO)(H)	O(SC[6a]OO)(CC[5]HH)	C(C[5]C[5]O[5]H)(OS)(H)2	C[5](C[5]O[5]HH)(O[5]C[5])(CHHO)(H){2|C<4>}	O(SC[6a]OO)(CC[5]HH)	106.6420	0.000	1	106.6420	0.000	1	107.6528	2.063	17	109.0789	5.268	91	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	Si-4:C-4:	C(C[5]C[5]O[5]H)(OSi)(H)2	C[5](C[5]C[5,5]C[5]O)(O[5]C[5,5])(CHHO)(H)	O(SiC[6a]2C)(CC[5]HH)	C(C[5]C[5]O[5]H)(OSi)(H)2	C[5](C[5]C[5,5]C[5]O)(O[5]C[5,5])(CHHO)(H){1|C<3>,1|C<4>,2|H<1>,3|O<2>}	O(SiC[6a]2C)(CC[5]HH)	109.2120	0.000	1	109.2120	0.000	1	109.7404	0.156	5	109.0789	5.268	91	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	Si-4:C-4:	C(C[5]C[5]O[5]H)(OSi)(H)2	C[5](C[5]C[5,5]ClN)(O[5]C[5,5])(CHHO)(H)	O(SiC[6a]2C)(CC[5]HH)	C(C[5]C[5]O[5]H)(OSi)(H)2	C[5](C[5]C[5,5]ClN)(O[5]C[5,5])(CHHO)(H){2|H<1>,2|O<2>}	O(SiC[6a]2C)(CC[5]HH)	109.5230	0.000	1	109.5230	0.000	1	109.7404	0.156	5	109.0789	5.268	91	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	Si-4:C-4:	C(C[5]C[5]O[5]H)(OSi)(H)2	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(H)	O(SiC[6a]2C)(CC[5]HH)	C(C[5]C[5]O[5]H)(OSi)(H)2	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(H){1|C<3>,1|H<1>,2|C<4>}	O(SiC[6a]2C)(CC[5]HH)	110.0170	0.000	1	110.0170	0.000	1	109.7404	0.156	5	109.0789	5.268	91	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	Si-4:C-4:	C(C[5]C[5]O[5]H)(OSi)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	O(SiC[6a]2C)(CC[5]HH)	C(C[5]C[5]O[5]H)(OSi)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|C<4>,1|N<3>,2|H<1>}	O(SiC[6a]2C)(CC[5]HH)	110.2100	0.000	1	110.2100	0.000	1	109.7404	0.156	5	109.0789	5.268	91	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	Si-4:C-4:	C(C[5]C[5]O[5]H)(OSi)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(SiC[6a]2C)(CC[5]HH)	C(C[5]C[5]O[5]H)(OSi)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	O(SiC[6a]2C)(CC[5]HH)	109.7400	0.000	1	109.7400	0.000	1	109.7404	0.156	5	109.0789	5.268	91	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:2:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:N-2:	C-4:H-1:	C(C[5]C[5]O[5]N)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(NN)	O(CC[5]HH)(H)	C(C[5]C[5]O[5]N)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(NN){1|F<1>,1|N<3>,2|H<1>}	O(CC[5]HH)(H)	110.3400	0.000	1	110.3400	0.000	1	110.3400	0.000	1	111.3484	4.145	5	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:2:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C-4:H-1:	C(C[5]C[5]O[5]O)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(OC)	O(CC[5]HH)(H)	C(C[5]C[5]O[5]O)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(OC){1|F<1>,1|N<3>,2|H<1>}	O(CC[5]HH)(H)	112.9670	0.072	2	111.3963	7.404	3	111.6005	5.102	4	111.3484	4.145	5	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:2:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C-4:H-1:	C(C[5]C[5]O[5]O)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(OC)	O(CC[5]HH)(H)	C(C[5]C[5]O[5]O)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(OC){1|N<3>,1|O<2>,2|H<1>}	O(CC[5]HH)(H)	108.2550	0.000	1	111.3963	7.404	3	111.6005	5.102	4	111.3484	4.145	5	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:2:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C-4:H-1:	C(C[5]C[5]O[5]O)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(OH)	O(CC[5]HH)(H)	C(C[5]C[5]O[5]O)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(OH){1|C<4>,1|O<2>,2|H<1>}	O(CC[5]HH)(H)	112.2130	0.000	1	112.2130	0.000	1	111.6005	5.102	4	111.3484	4.145	5	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:4:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C-4:H-1:	C(C[5]C[5,6]O[5]C)(OH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CHHO)(CH3)	O(CC[5]HH)(H)	C(C[5]C[5,6]O[5]C)(OH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CHHO)(CH3){1|C<2>,1|O<2>,2|C<3>,3|H<1>}	O(CC[5]HH)(H)	113.3430	0.000	1	113.3430	0.000	1	113.3430	0.000	1	111.8999	2.451	28	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:4:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-2:C-4:C-4:	C-4:H-1:	C(C[5]C[5]N[5]C)(OH)(H)2	C[5](C[5]O[5]HH)(N[5]C[5])(CHHO)2	O(CC[5]HH)(H)	C(C[5]C[5]N[5]C)(OH)(H)2	C[5](C[5]O[5]HH)(N[5]C[5])(CHHO)2{1|C<3>}	O(CC[5]HH)(H)	110.3275	3.600	2	110.3275	12.959	2	110.3275	12.959	2	111.8999	2.451	28	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:4:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:H-1:	C(C[5]C[5]O[5]C)(OH)(H)2	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CHHO)(CH3)	O(CC[5]HH)(H)	C(C[5]C[5]O[5]C)(OH)(H)2	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CHHO)(CH3){1|H<1>,1|O<2>,2|C<4>}	O(CC[5]HH)(H)	112.4743	1.900	6	112.4743	3.608	6	111.9680	1.920	25	111.8999	2.451	28	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:4:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:H-1:	C(C[5]C[5]O[5]C)(OH)(H)2	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(CHHO)2	O(CC[5]HH)(H)	C(C[5]C[5]O[5]C)(OH)(H)2	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(CHHO)2{2|C<3>}	O(CC[5]HH)(H)	111.7630	1.198	4	111.7630	1.435	4	111.9680	1.920	25	111.8999	2.451	28	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:4:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:H-1:	C(C[5]C[5]O[5]C)(OH)(H)2	C[5](C[5]C[5]CO)(O[5]C[5])(CHHO)2	O(CC[5]HH)(H)	C(C[5]C[5]O[5]C)(OH)(H)2	C[5](C[5]C[5]CO)(O[5]C[5])(CHHO)2{1|N<3>,3|H<1>}	O(CC[5]HH)(H)	111.5310	1.566	2	111.5310	2.451	2	111.9680	1.920	25	111.8999	2.451	28	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:4:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:H-1:	C(C[5]C[5]O[5]C)(OH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5,6])(CCHH)(CHHO)	O(CC[5]HH)(H)	C(C[5]C[5]O[5]C)(OH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5,6])(CCHH)(CHHO){2|C<4>,2|H<1>}	O(CC[5]HH)(H)	111.2390	0.000	1	111.2390	0.000	1	111.9680	1.920	25	111.8999	2.451	28	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:4:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:H-1:	C(C[5]C[5]O[5]C)(OH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(CH3)	O(CC[5]HH)(H)	C(C[5]C[5]O[5]C)(OH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(CH3){1|C<3>,1|C<4>,1|H<1>}	O(CC[5]HH)(H)	110.8230	0.000	1	111.6985	1.533	2	111.9680	1.920	25	111.8999	2.451	28	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:4:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:H-1:	C(C[5]C[5]O[5]C)(OH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(CH3)	O(CC[5]HH)(H)	C(C[5]C[5]O[5]C)(OH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(CH3){1|H<1>,1|N<4>,1|O<1>}	O(CC[5]HH)(H)	112.5740	0.000	1	111.6985	1.533	2	111.9680	1.920	25	111.8999	2.451	28	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:4:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:H-1:	C(C[5]C[5]O[5]C)(OH)(H)2	C[5](C[5]C[5]HH)(O[5]N[5])(CHHO)(CH3)	O(CC[5]HH)(H)	C(C[5]C[5]O[5]C)(OH)(H)2	C[5](C[5]C[5]HH)(O[5]N[5])(CHHO)(CH3){1|C<3>}	O(CC[5]HH)(H)	114.0400	0.000	1	114.0400	0.000	1	111.9680	1.920	25	111.8999	2.451	28	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:4:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:H-1:	C(C[5]C[5]O[5]C)(OH)(H)2	C[5](C[5]C[5]HH)(O[5]O[5])(CHHO)(CH3)	O(CC[5]HH)(H)	C(C[5]C[5]O[5]C)(OH)(H)2	C[5](C[5]C[5]HH)(O[5]O[5])(CHHO)(CH3){1|C<3>,1|O<2>}	O(CC[5]HH)(H)	112.7105	0.047	2	112.5002	0.629	4	111.9680	1.920	25	111.8999	2.451	28	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:4:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:H-1:	C(C[5]C[5]O[5]C)(OH)(H)2	C[5](C[5]C[5]HH)(O[5]O[5])(CHHO)(CH3)	O(CC[5]HH)(H)	C(C[5]C[5]O[5]C)(OH)(H)2	C[5](C[5]C[5]HH)(O[5]O[5])(CHHO)(CH3){1|C<4>,1|O<2>}	O(CC[5]HH)(H)	112.2900	1.307	2	112.5002	0.629	4	111.9680	1.920	25	111.8999	2.451	28	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:4:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:H-1:	C(C[5]C[5]O[5]C)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(CHHO)	O(CC[5]HH)(H)	C(C[5]C[5]O[5]C)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(CHHO){1|C<4>,1|H<1>,1|O<1>}	O(CC[5]HH)(H)	111.8800	0.000	1	111.8800	0.000	1	111.9680	1.920	25	111.8999	2.451	28	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:4:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:H-1:	C(C[5]C[5]O[5]C)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(CH3)	O(CC[5]HH)(H)	C(C[5]C[5]O[5]C)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(CH3){1|N<3>,1|O<2>,2|H<1>}	O(CC[5]HH)(H)	108.9700	0.000	1	108.9700	0.000	1	111.9680	1.920	25	111.8999	2.451	28	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:4:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:H-1:	C(C[5]C[5]O[5]C)(OH)(H)2	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(CHHO)	O(CC[5]HH)(H)	C(C[5]C[5]O[5]C)(OH)(H)2	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(CHHO){2|C<4>}	O(CC[5]HH)(H)	111.9410	0.000	1	111.9410	0.000	1	111.9680	1.920	25	111.8999	2.451	28	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:4:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:H-1:	C(C[5]C[5]O[5]C)(OH)(H)2	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(CHHO)	O(CC[5]HH)(H)	C(C[5]C[5]O[5]C)(OH)(H)2	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(CHHO){2|C<4>}	O(CC[5]HH)(H)	111.3860	0.075	2	111.3860	0.006	2	111.9680	1.920	25	111.8999	2.451	28	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:4:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C-4:C-4:	C(C[5]C[5,6]O[5]C)(OC)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CHHO)(CH3)	O(CC[5]HH)(CHHO)	C(C[5]C[5,6]O[5]C)(OC)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CHHO)(CH3){1|O<2>,3|C<4>,3|H<1>}	O(CC[5]HH)(CHHO)	109.1857	1.571	3	109.1857	2.467	3	109.0170	1.759	4	108.6049	2.924	13	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:4:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C-4:C-4:	C(C[5]C[5,6]O[5]C)(OC)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CHHO)(CH3)	O(CC[5]HH)(CHHO)	C(C[5]C[5,6]O[5]C)(OC)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CHHO)(CH3){1|C<2>,1|O<2>,2|C<4>,3|H<1>}	O(CC[5]HH)(CHHO)	108.5110	0.000	1	108.5110	0.000	1	109.0170	1.759	4	108.6049	2.924	13	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:4:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:C-4:	C(C[5]C[5]O[5]C)(OC)(H)2	C[5](C[5]C[5]CC)(O[5]C[5])(CC[5]HH)(CHHO)	O(CC[6a]HH)(CC[5]HH)	C(C[5]C[5]O[5]C)(OC)(H)2	C[5](C[5]C[5]CC)(O[5]C[5])(CC[5]HH)(CHHO){1|O<1>,2|H<1>}	O(CC[6a]HH)(CC[5]HH)	107.7920	0.000	1	107.7920	0.000	1	107.7920	0.000	1	108.6049	2.924	13	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:4:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:S-4:	C(C[5]C[5]O[5]C)(OS)(H)2	C[5](C[5]C[5]CO)(O[5]C[5])(CHHO)2	O(CC[5]HH)(SCOO)	C(C[5]C[5]O[5]C)(OS)(H)2	C[5](C[5]C[5]CO)(O[5]C[5])(CHHO)2{1|N<3>,3|H<1>}	O(CC[5]HH)(SCOO)	107.5530	0.414	2	107.5530	0.172	2	107.5530	0.172	2	108.6049	2.924	13	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:4:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:Si-4:	C(C[5]C[5]O[5]C)(OSi)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(CH3)	O(CC[5]HH)(SiC3)	C(C[5]C[5]O[5]C)(OSi)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(CH3){1|C<4>,1|O<1>,1|O<2>}	O(CC[5]HH)(SiC3)	109.9930	0.000	1	109.9930	0.000	1	110.5835	0.697	2	108.6049	2.924	13	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:4:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:Si-4:	C(C[5]C[5]O[5]C)(OSi)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(CH3)	O(CC[5]HH)(SiC3)	C(C[5]C[5]O[5]C)(OSi)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(CH3){1|H<1>,1|O<2>,2|C<4>}	O(CC[5]HH)(SiC3)	111.1740	0.000	1	111.1740	0.000	1	110.5835	0.697	2	108.6049	2.924	13	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:4:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	S-4:C-4:	C(C[5]C[5]O[5]C)(OS)(H)2	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(CHHO)2	O(SC[6a]OO)(CC[5]HH)	C(C[5]C[5]O[5]C)(OS)(H)2	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(CHHO)2{2|H<1>,2|O<2>}	O(SC[6a]OO)(CC[5]HH)	107.0920	1.906	3	107.0920	3.633	3	107.0920	3.633	3	108.6049	2.924	13	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:2:4:4:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	Si-4:C-4:	C(C[5]C[5]O[5]C)(OSi)(H)2	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(CH3)	O(SiC[6a]2C)(CC[5]HH)	C(C[5]C[5]O[5]C)(OSi)(H)2	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(CH3){1|C<3>,1|O<2>,2|H<1>}	O(SiC[6a]2C)(CC[5]HH)	110.4550	0.000	1	110.4550	0.000	1	110.4550	0.000	1	108.6049	2.924	13	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:3:2:4:	4:2:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[6a]-3:N[5]-2:C-4:	C-4:O-2:	C(C[5]C[6a]C[5]N[5])(OO)(H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(CHHO)	O(CC[5]HH)(OH)	C(C[5]C[6a]C[5]N[5])(OO)(H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(CHHO){2|H<1>,6|C<3>}	O(CC[5]HH)(OH)	107.6920	0.000	1	107.6920	0.000	1	107.6920	0.000	1	107.6920	0.000	1	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:3:2:4:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:O[5]-2:C-4:	Si-4:C-4:	C(C[5]C[5]2O[5])(OSi)(H)2	C[5](C[5]C[5,5]C[5]O)(C[5]C[5,5]O)(O[5]C[5,5])(CHHO)	O(SiC[6a]2C)(CC[5]HH)	C(C[5]C[5]2O[5])(OSi)(H)2	C[5](C[5]C[5,5]C[5]O)(C[5]C[5,5]O)(O[5]C[5,5])(CHHO){2|C<4>,4|H<1>,4|O<2>}	O(SiC[6a]2C)(CC[5]HH)	111.7080	0.000	1	111.7080	0.000	1	111.7080	0.000	1	111.7080	0.000	1	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:3:3:4:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[6a]-3:N[5]-3:C-4:	C-4:H-1:	C(C[5]C[6a]C[5]N[5])(OH)(H)2	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(CHHO)	O(CC[5]HH)(H)	C(C[5]C[6a]C[5]N[5])(OH)(H)2	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(CHHO){1|O<1>,2|H<1>,4|C<3>}	O(CC[5]HH)(H)	110.1360	0.000	1	110.1360	0.000	1	110.1360	0.000	1	110.1360	0.000	1	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:3:4:1:	3:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[6]-3:C-4:	C(C[5]C[5]N[5]H)(ON[6])(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHO)(H)	O(N[6]C[6]2)(CC[5]HH)	C(C[5]C[5]N[5]H)(ON[6])(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHO)(H){1|C<4>,3|H<1>}	O(N[6]C[6]2)(CC[5]HH)	104.4730	0.000	1	104.4730	0.000	1	104.4730	0.000	1	104.4730	0.000	1	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:3:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[3,5,5]-4:N[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[3,5,5]N[5]H)(OH)(H)2	C[5](C[3,5,5]C[3,5]2N[5])(N[5]C[5]C)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[3,5,5]N[5]H)(OH)(H)2	C[5](C[3,5,5]C[3,5]2N[5])(N[5]C[5]C)(CHHO)(H){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	O(CC[5]HH)(H)	109.8310	0.000	1	109.8310	0.000	1	109.8310	0.000	1	111.3232	2.738	45	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:3:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5,5]N[5]H)(OH)(H)2	C[5](C[5,5]C[3x5]O[5]O)(N[5]C[5]C)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5,5]N[5]H)(OH)(H)2	C[5](C[5,5]C[3x5]O[5]O)(N[5]C[5]C)(CHHO)(H){1|C<3>,1|O<1>,2|C<4>}	O(CC[5]HH)(H)	110.9550	0.024	2	110.9550	0.001	2	110.9550	0.001	2	111.3232	2.738	45	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:3:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]C)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]C)(CHHO)(H){1|O<1>,2|C<4>}	O(CC[5]HH)(H)	113.4030	0.000	1	113.4030	0.000	1	111.1266	3.255	8	111.3232	2.738	45	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:3:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHHO)(H){4|H<1>}	O(CC[5]HH)(H)	107.5380	0.000	1	107.5380	0.000	1	111.1266	3.255	8	111.3232	2.738	45	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:3:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(CHHO)(H){1|N<3>,2|H<1>}	O(CC[5]HH)(H)	111.1100	0.000	1	111.1100	0.000	1	111.1266	3.255	8	111.3232	2.738	45	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:3:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]N)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]N)(CHHO)(H){1|H<1>,3|C<3>}	O(CC[5]HH)(H)	111.2260	0.000	1	111.2260	0.000	1	111.1266	3.255	8	111.3232	2.738	45	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:3:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]HO)(C[5]C[5]C)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]HO)(C[5]C[5]C)(CHHO)(H){1|N<3>,3|H<1>}	O(CC[5]HH)(H)	111.3960	2.082	2	111.3960	4.334	2	111.1266	3.255	8	111.3232	2.738	45	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:3:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CHHO)(H){1|C<3>,1|C<4>,3|H<1>}	O(CC[5]HH)(H)	111.4720	0.000	2	111.4720	0.000	2	111.1266	3.255	8	111.3232	2.738	45	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:3:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[3,5]C[6a]H)(N[5]C[5]C)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[3,5]C[6a]H)(N[5]C[5]C)(CHHO)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	O(CC[5]HH)(H)	111.0830	0.000	1	111.0830	0.000	1	111.5219	2.687	33	111.3232	2.738	45	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:3:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5]C)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5]C)(CHHO)(H){1|C<3>,1|H<1>,2|C<4>}	O(CC[5]HH)(H)	112.3450	0.000	1	112.3450	0.000	1	111.5219	2.687	33	111.3232	2.738	45	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:3:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[5]BrH)(N[5]C[5]S)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[5]BrH)(N[5]C[5]S)(CHHO)(H){1|O<2>,3|H<1>}	O(CC[5]HH)(H)	113.0960	0.000	1	113.0960	0.000	1	111.5219	2.687	33	111.3232	2.738	45	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:3:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H){1|H<1>,1|O<1>,1|O<2>}	O(CC[5]HH)(H)	109.6863	0.107	3	110.4879	1.955	8	111.5219	2.687	33	111.3232	2.738	45	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:3:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H){2|C<4>,2|H<1>}	O(CC[5]HH)(H)	109.8600	0.000	1	110.4879	1.955	8	111.5219	2.687	33	111.3232	2.738	45	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:3:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H){4|H<1>}	O(CC[5]HH)(H)	111.2460	1.736	4	110.4879	1.955	8	111.5219	2.687	33	111.3232	2.738	45	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:3:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[5]HN)(N[5]C[5]H)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[5]HN)(N[5]C[5]H)(CHHO)(H){1|O<1>,2|H<1>}	O(CC[5]HH)(H)	111.2080	0.000	1	111.2080	0.000	1	111.5219	2.687	33	111.3232	2.738	45	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:3:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[5]HN)(N[5]C[5]S)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[5]HN)(N[5]C[5]S)(CHHO)(H){1|O<2>,3|H<1>}	O(CC[5]HH)(H)	113.5365	0.397	2	113.5365	0.157	2	111.5219	2.687	33	111.3232	2.738	45	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:3:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	O(CC[5]HH)(H)	112.1570	0.000	1	112.0600	2.364	9	111.5219	2.687	33	111.3232	2.738	45	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:3:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	O(CC[5]HH)(H)	111.7490	1.352	2	112.0600	2.364	9	111.5219	2.687	33	111.3232	2.738	45	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:3:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H){1|C<4>,3|H<1>}	O(CC[5]HH)(H)	109.6540	0.000	1	112.0600	2.364	9	111.5219	2.687	33	111.3232	2.738	45	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:3:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H){1|N<3>,3|H<1>}	O(CC[5]HH)(H)	112.6462	1.531	5	112.0600	2.364	9	111.5219	2.687	33	111.3232	2.738	45	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:3:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]H)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]H)(CHHO)(H){1|C<3>,1|O<1>,1|O<2>}	O(CC[5]HH)(H)	111.2340	0.699	2	110.3582	1.284	4	111.5219	2.687	33	111.3232	2.738	45	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:3:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]H)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]H)(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	O(CC[5]HH)(H)	109.4825	0.544	2	110.3582	1.284	4	111.5219	2.687	33	111.3232	2.738	45	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:3:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]H)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]H)(CHHO)(H){1|H<1>,5|C<3>}	O(CC[5]HH)(H)	111.1170	0.000	1	111.1170	0.000	1	111.5219	2.687	33	111.3232	2.738	45	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:3:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]O[5]CH)(N[5]C[5]H)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]O[5]CH)(N[5]C[5]H)(CHHO)(H){1|O<1>}	O(CC[5]HH)(H)	112.5120	0.000	1	112.5120	0.000	1	111.5219	2.687	33	111.3232	2.738	45	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:3:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CHHO)(H){1|N<2>}	O(CC[5]HH)(H)	112.4960	0.000	1	112.4960	0.000	1	111.5219	2.687	33	111.3232	2.738	45	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:3:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]S)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]S)(CHHO)(H){1|O<1>}	O(CC[5]HH)(H)	108.2570	0.000	1	108.2570	0.000	1	111.5219	2.687	33	111.3232	2.738	45	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:3:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]S[5]HH)(N[5]C[5]C)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]S[5]HH)(N[5]C[5]C)(CHHO)(H){1|N<2>}	O(CC[5]HH)(H)	113.5805	0.111	2	113.5805	0.012	2	111.5219	2.687	33	111.3232	2.738	45	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:3:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:S[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]S[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(S[5]C[5]O)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]S[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(S[5]C[5]O)(CHHO)(H){1|N<3>,3|H<1>}	O(CC[5]HH)(H)	108.5650	0.000	1	108.5650	0.000	1	108.5650	0.000	1	111.3232	2.738	45	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:3:4:1:	4:2:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:O-2:	C(C[5]C[5]2H)(OO)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHO)(H)	O(CC[5]HH)(OC)	C(C[5]C[5]2H)(OO)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHO)(H){1|C<4>,1|H<1>}	O(CC[5]HH)(OC)	115.1250	0.000	1	115.1250	0.000	1	115.1250	0.000	1	115.1250	0.000	1	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:3:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:N[5,5]-3:C-4:H-1:	C-4:C-4:	C(C[5]C[5,5]N[5,5]H)(OC)(H)2	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]O[5])(CHHO)(H)	O(CC[5]HH)(CC[6a]3)	C(C[5]C[5,5]N[5,5]H)(OC)(H)2	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]O[5])(CHHO)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(CC[5]HH)(CC[6a]3)	108.1190	0.000	1	108.1190	0.000	1	108.1190	0.000	1	108.3779	3.589	40	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:3:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5,6,6]-4:C[5]-3:C-4:H-1:	C-4:C-4:	C(C[5]C[5,6,6]C[5]H)(OC)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]O)(CHHO)(H)	O(CC[6a]HH)(CC[5]HH)	C(C[5]C[5,6,6]C[5]H)(OC)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]O)(CHHO)(H){5|C<4>,5|H<1>}	O(CC[6a]HH)(CC[5]HH)	108.0995	0.170	2	108.0995	0.029	2	108.0995	0.029	2	108.3779	3.589	40	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:3:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C-4:C-4:	C(C[5]C[5,6]C[5]H)(OC)(H)2	C[5](C[5,6]C[5,3x6]C[6]H)(C[5]C[5,5x6]O)(CHHO)(H)	O(CC[5]HH)(CH3)	C(C[5]C[5,6]C[5]H)(OC)(H)2	C[5](C[5,6]C[5,3x6]C[6]H)(C[5]C[5,5x6]O)(CHHO)(H){1|O<2>,3|C<4>,3|H<1>}	O(CC[5]HH)(CH3)	110.0330	0.000	1	110.0330	0.000	1	108.1630	3.223	3	108.3779	3.589	40	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:3:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C-4:C-4:	C(C[5]C[5,6]C[5]H)(OC)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6,6]O)(CHHO)(H)	O(CC[5]HH)(CH3)	C(C[5]C[5,6]C[5]H)(OC)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6,6]O)(CHHO)(H){1|O<2>,3|C<4>,3|H<1>}	O(CC[5]HH)(CH3)	108.0030	0.000	1	108.0030	0.000	1	108.1630	3.223	3	108.3779	3.589	40	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:3:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C-4:C-4:	C(C[5]C[5,6]C[5]H)(OC)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CHHO)(H)	O(CC[5]HH)(CCHH)	C(C[5]C[5,6]C[5]H)(OC)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CHHO)(H){1|C<3>,2|C<4>,4|H<1>}	O(CC[5]HH)(CCHH)	106.4530	0.000	1	106.4530	0.000	1	108.1630	3.223	3	108.3779	3.589	40	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:3:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:C-4:	C(C[5]C[5]2H)(OC)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHO)(H)	O(CC[5]HH)(CH3)	C(C[5]C[5]2H)(OC)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHO)(H){1|C<4>,1|H<1>}	O(CC[5]HH)(CH3)	107.5955	0.289	4	107.5955	0.084	4	107.9732	0.776	5	108.3779	3.589	40	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:3:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:C-4:	C(C[5]C[5]2H)(OC)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHO)(H)	O(CC[6a]2O)(CC[5]HH)	C(C[5]C[5]2H)(OC)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHO)(H){2|H<1>}	O(CC[6a]2O)(CC[5]HH)	109.4840	0.000	1	109.4840	0.000	1	107.9732	0.776	5	108.3779	3.589	40	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:3:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:Si-4:	C(C[5]C[5]2H)(OSi)(H)2	C[5](C[5]C[5,5]CH)(C[5]C[5]O)(CHHO)(H)	O(CC[5]HH)(SiC3)	C(C[5]C[5]2H)(OSi)(H)2	C[5](C[5]C[5,5]CH)(C[5]C[5]O)(CHHO)(H){1|C<4>,1|H<1>,2|C<3>}	O(CC[5]HH)(SiC3)	107.9735	0.602	2	107.9735	0.362	2	107.9735	0.362	2	108.3779	3.589	40	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:3:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:C-4:	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CHHO)(H)	O(CC[5]HH)(CH3)	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CHHO)(H){2|C<3>}	O(CC[5]HH)(CH3)	106.3660	1.358	2	106.3660	1.843	2	108.5705	5.204	25	108.3779	3.589	40	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:3:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:C-4:	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H)	O(CC[5]HH)(CC[6a]3)	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H){1|C<4>,3|H<1>}	O(CC[5]HH)(CC[6a]3)	107.2600	1.165	2	107.2600	1.358	2	108.5705	5.204	25	108.3779	3.589	40	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:3:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:C-4:	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H)	O(CC[5]HH)(CH3)	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H){4|H<1>}	O(CC[5]HH)(CH3)	108.0440	1.554	9	108.0440	2.415	9	108.5705	5.204	25	108.3779	3.589	40	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:3:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:C-4:	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H)	O(CC[5a]HH)(CC[5]HH)	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H){4|H<1>}	O(CC[5a]HH)(CC[5]HH)	107.5835	0.063	2	107.5835	0.004	2	108.5705	5.204	25	108.3779	3.589	40	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:3:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:C-4:	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]N)(CHHO)(H)	O(CC[5]HH)(CH3)	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]N)(CHHO)(H){4|H<1>}	O(CC[5]HH)(CH3)	110.0193	2.859	9	110.0193	8.173	9	108.5705	5.204	25	108.3779	3.589	40	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:3:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:C-4:	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]H)(CHHO)(H)	O(CC[6a]HH)(CC[5]HH)	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]H)(CHHO)(H){3|C<3>}	O(CC[6a]HH)(CC[5]HH)	109.2740	0.000	1	109.2740	0.000	1	108.5705	5.204	25	108.3779	3.589	40	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:3:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:Si-4:	C(C[5]C[5]N[5]H)(OSi)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHO)(H)	O(CC[5]HH)(SiC3)	C(C[5]C[5]N[5]H)(OSi)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHO)(H){1|Br<1>,1|H<1>,1|O<1>}	O(CC[5]HH)(SiC3)	109.2520	0.000	1	109.2520	0.000	1	109.2520	0.000	1	108.3779	3.589	40	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:3:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	S-4:C-4:	C(C[5]C[5]N[5]H)(OS)(H)2	C[5](C[5]C[5]SiC)(N[5]C[5]C)(CHHO)(H)	O(SC[6a]OO)(CC[5]HH)	C(C[5]C[5]N[5]H)(OS)(H)2	C[5](C[5]C[5]SiC)(N[5]C[5]C)(CHHO)(H){1|C<4>,1|H<1>,1|O<1>}	O(SC[6a]OO)(CC[5]HH)	106.9820	0.000	1	106.9820	0.000	1	106.9820	0.000	1	108.3779	3.589	40	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:3:4:2:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C-4:H-1:	C(C[5]C[5]2O)(OH)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHO)(OH)	O(CC[5]HH)(H)	C(C[5]C[5]2O)(OH)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHO)(OH){1|C<4>,1|H<1>}	O(CC[5]HH)(H)	109.1307	1.182	3	109.1307	1.397	3	109.1307	1.397	3	109.1307	1.397	3	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:3:4:2:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C-4:C-4:	C(C[5]C[5]2O)(OC)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHHO)(OC)	O(CC[5]HH)(CH3)	C(C[5]C[5]2O)(OC)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHHO)(OC){1|C<4>,3|H<1>}	O(CC[5]HH)(CH3)	109.2000	0.000	1	109.2000	0.000	1	109.3521	0.761	7	109.3521	0.761	7	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:3:4:2:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C-4:C-4:	C(C[5]C[5]2O)(OC)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHHO)(OH)	O(CC[5]HH)(CH3)	C(C[5]C[5]2O)(OC)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHHO)(OH){1|C<4>,3|H<1>}	O(CC[5]HH)(CH3)	109.3775	0.953	6	109.3775	0.908	6	109.3521	0.761	7	109.3521	0.761	7	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:3:4:3:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C-4:H-1:	C(C[5]C[5]N[5]C)(OH)(H)2	C[5](C[5]C[5]CO)(N[5]C[5]H)(CHHO)(COO)	O(CC[5]HH)(H)	C(C[5]C[5]N[5]C)(OH)(H)2	C[5](C[5]C[5]CO)(N[5]C[5]H)(CHHO)(COO){1|C<4>,1|H<1>,1|O<1>}	O(CC[5]HH)(H)	110.0740	0.000	1	110.0740	0.000	1	110.0740	0.000	1	110.0740	0.000	1	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:3:4:3:	4:4:	C[5]-4:O-2:H-1:H-1:	C[4,5]-4:N[5]-3:C-4:C-3:	C-4:C-4:	C(C[5]C[4,5]N[5]C)(OC)(H)2	C[5](C[4,5]C[4,5]O[4]C)(N[5]C[5]C)(CHHO)(COO)	O(CC[6a]HH)(CC[5]HH)	C(C[5]C[4,5]N[5]C)(OC)(H)2	C[5](C[4,5]C[4,5]O[4]C)(N[5]C[5]C)(CHHO)(COO){1|C<3>,3|H<1>}	O(CC[6a]HH)(CC[5]HH)	109.8760	0.000	1	109.8760	0.000	1	109.8760	0.000	1	108.5173	2.445	3	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:3:4:3:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C-4:C-4:	C(C[5]C[5]N[5]C)(OC)(H)2	C[5](C[5]C[5]CO)(N[5]C[5]C)(CHHO)(COO)	O(CC[6a]HH)(CC[5]HH)	C(C[5]C[5]N[5]C)(OC)(H)2	C[5](C[5]C[5]CO)(N[5]C[5]C)(CHHO)(COO){1|C<3>,1|O<1>}	O(CC[6a]HH)(CC[5]HH)	106.8080	0.000	1	106.8080	0.000	1	106.8080	0.000	1	108.5173	2.445	3	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:3:4:3:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	Si-4:C-4:	C(C[5]C[5]N[5]C)(OSi)(H)2	C[5](C[5]C[5]CO)(N[5]C[5]H)(CHHO)(COO)	O(SiC[6a]2C)(CC[5]HH)	C(C[5]C[5]N[5]C)(OSi)(H)2	C[5](C[5]C[5]CO)(N[5]C[5]H)(CHHO)(COO){1|C<4>,1|H<1>,1|O<1>}	O(SiC[6a]2C)(CC[5]HH)	108.8680	0.000	1	108.8680	0.000	1	108.8680	0.000	1	108.5173	2.445	3	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:3:4:4:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:H-1:	C(C[5]C[5]2C)(OH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(CHHO)	O(CC[5]HH)(H)	C(C[5]C[5]2C)(OH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(CHHO){1|C<4>,1|H<1>}	O(CC[5]HH)(H)	115.1900	0.000	1	115.1900	0.000	1	111.3405	3.580	14	111.9567	3.329	24	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:3:4:4:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:H-1:	C(C[5]C[5]2C)(OH)(H)2	C[5](C[5]C[5]HO)(C[5]C[5]C)(CHHO)(CH3)	O(CC[5]HH)(H)	C(C[5]C[5]2C)(OH)(H)2	C[5](C[5]C[5]HO)(C[5]C[5]C)(CHHO)(CH3){1|N<3>,1|O<2>,2|H<1>}	O(CC[5]HH)(H)	112.8700	0.000	1	112.8700	0.000	1	111.3405	3.580	14	111.9567	3.329	24	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:3:4:4:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:H-1:	C(C[5]C[5]2C)(OH)(H)2	C[5](C[5]N[5,5a]HH)(C[5]C[5,5a]O)(CHHO)2	O(CC[5]HH)(H)	C(C[5]C[5]2C)(OH)(H)2	C[5](C[5]N[5,5a]HH)(C[5]C[5,5a]O)(CHHO)2{2|C<3>}	O(CC[5]HH)(H)	110.7215	1.521	11	110.7215	2.313	11	111.3405	3.580	14	111.9567	3.329	24	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:3:4:4:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:H-1:	C(C[5]C[5]2C)(OH)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(CHHO)(CH3)	O(CC[5]HH)(H)	C(C[5]C[5]2C)(OH)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(CHHO)(CH3){1|C<4>,1|O<1>}	O(CC[5]HH)(H)	112.7700	0.000	1	112.7700	0.000	1	111.3405	3.580	14	111.9567	3.329	24	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:3:4:4:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:H-1:	C(C[5]C[5]N[5]C)(OH)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]O)(CCHH)(CHHO)	O(CC[5]HH)(H)	C(C[5]C[5]N[5]C)(OH)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]O)(CCHH)(CHHO){1|O<1>,2|H<1>}	O(CC[5]HH)(H)	114.1490	0.000	1	114.1490	0.000	1	112.8195	1.919	10	111.9567	3.329	24	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:3:4:4:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:H-1:	C(C[5]C[5]N[5]C)(OH)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]O)(CHHO)(CH3)	O(CC[5]HH)(H)	C(C[5]C[5]N[5]C)(OH)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]O)(CHHO)(CH3){1|O<1>,2|H<1>}	O(CC[5]HH)(H)	113.3920	0.000	1	113.3920	0.000	1	112.8195	1.919	10	111.9567	3.329	24	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:3:4:4:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:H-1:	C(C[5]C[5]N[5]C)(OH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]H)(CHHO)(CH3)	O(CC[5]HH)(H)	C(C[5]C[5]N[5]C)(OH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]H)(CHHO)(CH3){1|O<1>,2|H<1>}	O(CC[5]HH)(H)	112.8760	0.000	1	112.8760	0.000	1	112.8195	1.919	10	111.9567	3.329	24	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:3:4:4:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:H-1:	C(C[5]C[5]N[5]C)(OH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]O)(CHHO)(CH3)	O(CC[5]HH)(H)	C(C[5]C[5]N[5]C)(OH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]O)(CHHO)(CH3){1|C<4>,1|P<4>,2|H<1>}	O(CC[5]HH)(H)	112.8800	0.000	1	112.8800	0.000	1	112.8195	1.919	10	111.9567	3.329	24	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:3:4:4:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:H-1:	C(C[5]C[5]N[5]C)(OH)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(CHHO)2	O(CC[5]HH)(H)	C(C[5]C[5]N[5]C)(OH)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(CHHO)2{1|C<3>}	O(CC[5]HH)(H)	112.1315	2.052	4	112.1315	4.210	4	112.8195	1.919	10	111.9567	3.329	24	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:3:4:4:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:H-1:	C(C[5]C[5]N[5]C)(OH)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]H)(CCHH)(CHHO)	O(CC[5]HH)(H)	C(C[5]C[5]N[5]C)(OH)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]H)(CCHH)(CHHO){1|O<1>}	O(CC[5]HH)(H)	113.6200	0.000	1	113.6200	0.000	1	112.8195	1.919	10	111.9567	3.329	24	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:3:4:4:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:H-1:	C(C[5]C[5]N[5]C)(OH)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]H)(CHHO)(CH3)	O(CC[5]HH)(H)	C(C[5]C[5]N[5]C)(OH)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]H)(CHHO)(CH3){1|O<1>}	O(CC[5]HH)(H)	112.7520	0.000	1	112.7520	0.000	1	112.8195	1.919	10	111.9567	3.329	24	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:3:4:4:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:C-4:	C(C[5]C[5]2C)(OC)(H)2	C[5](C[5]C[5,5]CC)(C[5]C[5,5]O)(CHHO)(CH3)	O(CC[6a]HH)(CC[5]HH)	C(C[5]C[5]2C)(OC)(H)2	C[5](C[5]C[5,5]CC)(C[5]C[5,5]O)(CHHO)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	O(CC[6a]HH)(CC[5]HH)	109.3860	0.000	1	109.3860	0.000	1	109.3860	0.000	1	110.1020	0.698	3	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:3:4:4:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:C-4:	C(C[5]C[5]N[5]C)(OC)(H)2	C[5](C[5]C[5]CO)(N[5]C[5]C)(CHHO)2	O(CC[5]HH)(CHHO)	C(C[5]C[5]N[5]C)(OC)(H)2	C[5](C[5]C[5]CO)(N[5]C[5]C)(CHHO)2{1|C<4>,3|H<1>}	O(CC[5]HH)(CHHO)	111.0200	0.000	1	111.0200	0.000	1	111.0200	0.000	1	110.1020	0.698	3	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:3:4:4:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	Si-4:C-4:	C(C[5]C[5]N[5]C)(OSi)(H)2	C[5](C[5]C[5]CO)(N[5]C[5]C)(CHHO)2	O(SiC[6a]2C)(CC[5]HH)	C(C[5]C[5]N[5]C)(OSi)(H)2	C[5](C[5]C[5]CO)(N[5]C[5]C)(CHHO)2{1|C<4>,3|H<1>}	O(SiC[6a]2C)(CC[5]HH)	109.9000	0.000	1	109.9000	0.000	1	109.9000	0.000	1	110.1020	0.698	3	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:2:4:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:C-4:	C-4:H-1:	C(C[5]C[5]2O[5])(OH)(H)2	C[5](C[5]C[5,6a]C[5]N)(C[5]C[5,6a]HO)(O[5]C[5,6a])(CHHO)	O(CC[5]HH)(H)	C(C[5]C[5]2O[5])(OH)(H)2	C[5](C[5]C[5,6a]C[5]N)(C[5]C[5,6a]HO)(O[5]C[5,6a])(CHHO){1|N<3>,1|O<1>,4|C<3>}	O(CC[5]HH)(H)	108.7620	0.000	1	108.7620	0.000	1	108.7620	0.000	1	110.2235	4.272	2	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:2:4:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[6]-4:O[5]-2:C-4:	C-4:H-1:	C(C[5]C[5]C[6]O[5])(OH)(H)2	C[5](C[5]N[5]HH)(C[6]C[6]2H)(O[5]C[5])(CHHO)	O(CC[5]HH)(H)	C(C[5]C[5]C[6]O[5])(OH)(H)2	C[5](C[5]N[5]HH)(C[6]C[6]2H)(O[5]C[5])(CHHO){1|O<1>,1|S<4>,2|C<4>,4|H<1>}	O(CC[5]HH)(H)	111.6850	0.000	1	111.6850	0.000	1	111.6850	0.000	1	110.2235	4.272	2	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:2:4:	4:4:	C[5]-4:O-2:H-1:H-1:	C[3]-4:C[5]-4:O[5]-2:C-4:	C-4:C-4:	C(C[5]C[3]C[5]O[5])(OC)(H)2	C[5](C[3]C[3]O[3]H)(C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)	O(CC[6a]HH)(CC[5]HH)	C(C[5]C[3]C[5]O[5])(OC)(H)2	C[5](C[3]C[3]O[3]H)(C[5]C[5,5]HO)(O[5]C[5,5])(CHHO){2|O<2>,4|H<1>}	O(CC[6a]HH)(CC[5]HH)	107.0010	0.000	1	107.0010	0.000	1	107.0010	0.000	1	110.1450	19.769	2	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:2:4:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:C-4:	C-4:C-4:	C(C[5]C[5]2O[5])(OC)(H)2	C[5](C[5]C[5]N[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)	O(CC[5]HH)2	C(C[5]C[5]2O[5])(OC)(H)2	C[5](C[5]C[5]N[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(CHHO){2|C<4>,3|O<2>,4|H<1>}	O(CC[5]HH)2	113.2890	0.000	1	113.2890	0.000	1	113.2890	0.000	1	110.1450	19.769	2	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:3:4:	4:1:	C[5]-4:O-2:H-1:H-1:	C[4]-4:C[5]-4:N[5]-3:C-4:	C-4:H-1:	C(C[5]C[4]C[5]N[5])(OH)(H)2	C[5](C[4]C[4]2H)(C[5]O[5]CH)(N[5]C[5]C)(CHHO)	O(CC[5]HH)(H)	C(C[5]C[4]C[5]N[5])(OH)(H)2	C[5](C[4]C[4]2H)(C[5]O[5]CH)(N[5]C[5]C)(CHHO){1|C<4>,1|O<1>,4|H<1>}	O(CC[5]HH)(H)	112.5080	0.453	2	112.5080	0.205	2	112.5080	0.205	2	110.5903	11.135	3	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:3:4:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-4:	C-4:H-1:	C(C[5]C[5]2C)(OH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CC[3]O)(CHHO)	O(CC[5]HH)(H)	C(C[5]C[5]2C)(OH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CC[3]O)(CHHO){1|O<2>,3|H<1>}	O(CC[5]HH)(H)	106.7550	0.000	1	106.7550	0.000	1	106.7550	0.000	1	110.5903	11.135	3	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:3:4:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[4]-4:N[5]-3:C-4:	C-4:Si-4:	C(C[5]C[4]C[5]N[5])(OSi)(H)2	C[5](C[5]C[3]O[5]H)(C[4]C[4]2H)(N[5]C[5]H)(CHHO)	O(CC[5]HH)(SiC3)	C(C[5]C[4]C[5]N[5])(OSi)(H)2	C[5](C[5]C[3]O[5]H)(C[4]C[4]2H)(N[5]C[5]H)(CHHO){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	O(CC[5]HH)(SiC3)	110.0590	0.000	1	110.0590	0.000	1	110.0590	0.000	1	110.0590	0.000	1	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	3:4:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	N[6]-3:C-4:	C(C[5]C[5,5]C[5]H)(ON[6])(H)2	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(CHHO)(H)	O(N[6]C[6]2)(CC[5]HH)	C(C[5]C[5,5]C[5]H)(ON[6])(H)2	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(CHHO)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	O(N[6]C[6]2)(CC[5]HH)	106.2190	0.000	1	106.2190	0.000	1	106.2190	0.000	1	107.8585	5.376	2	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	3:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	N[6]-3:C-4:	C(C[5]C[5]2H)(ON[6])(H)2	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CHHO)(H)	O(N[6]C[6]2)(CC[5]HH)	C(C[5]C[5]2H)(ON[6])(H)2	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CHHO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	O(N[6]C[6]2)(CC[5]HH)	109.4980	0.000	1	109.4980	0.000	1	109.4980	0.000	1	107.8585	5.376	2	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[3,5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[3,5]C[5]H)(OH)(H)2	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[3,5]C[5]H)(OH)(H)2	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(CHHO)(H){1|N<3>,2|H<1>}	O(CC[5]HH)(H)	109.2430	0.000	1	109.2430	0.000	1	109.2430	0.000	1	111.1638	4.713	74	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:C[3,5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[3,5]C[5,5]H)(OH)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[3,5]C[3]2O[5])(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[3,5]C[5,5]H)(OH)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[3,5]C[3]2O[5])(CHHO)(H){1|O<2>,2|C<4>,5|H<1>}	O(CC[5]HH)(H)	110.6655	3.409	2	110.6655	11.621	2	110.6655	11.621	2	111.1638	4.713	74	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5,5]C[5]H)(OH)(H)2	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HN)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5,5]C[5]H)(OH)(H)2	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HN)(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	O(CC[5]HH)(H)	108.1510	0.000	1	108.1510	0.000	1	111.1203	8.487	3	111.1638	4.713	74	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5,5]C[5]H)(OH)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5,5]C[5]H)(OH)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(CHHO)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|O<1>}	O(CC[5]HH)(H)	111.2360	0.000	1	112.6050	3.748	2	111.1203	8.487	3	111.1638	4.713	74	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5,5]C[5]H)(OH)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5,5]C[5]H)(OH)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(CHHO)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	O(CC[5]HH)(H)	113.9740	0.000	1	112.6050	3.748	2	111.1203	8.487	3	111.1638	4.713	74	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5,6]C[5]H)(OH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5,6]C[5]H)(OH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(CHHO)(H){2|C<3>,2|C<4>,2|H<1>}	O(CC[5]HH)(H)	112.3440	0.000	1	112.3440	0.000	1	111.2341	5.111	14	111.1638	4.713	74	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5,6]C[5]H)(OH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5,6]C[5]H)(OH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	O(CC[5]HH)(H)	106.9220	0.000	1	106.9220	0.000	1	111.2341	5.111	14	111.1638	4.713	74	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5,6]C[5]H)(OH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5,6]C[5]H)(OH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHHO)(H){3|C<4>,4|H<1>}	O(CC[5]HH)(H)	111.8040	0.000	1	111.8040	0.000	1	111.2341	5.111	14	111.1638	4.713	74	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5,6]C[5]H)(OH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5,6]C[5]H)(OH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CHHO)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	O(CC[5]HH)(H)	108.3420	1.793	2	108.3420	3.216	2	111.2341	5.111	14	111.1638	4.713	74	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5,6]C[5]H)(OH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5,6]C[5]H)(OH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CHHO)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	O(CC[5]HH)(H)	109.6290	0.000	1	109.6290	0.000	1	111.2341	5.111	14	111.1638	4.713	74	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5,6]C[5]H)(OH)(H)2	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HH)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5,6]C[5]H)(OH)(H)2	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HH)(CHHO)(H){1|O<2>,2|C<4>,6|H<1>}	O(CC[5]HH)(H)	112.5960	0.000	1	112.5960	0.000	1	111.2341	5.111	14	111.1638	4.713	74	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5,6]C[5]H)(OH)(H)2	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]CH)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5,6]C[5]H)(OH)(H)2	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]CH)(CHHO)(H){1|C<4>,3|C<3>}	O(CC[5]HH)(H)	110.4660	0.000	1	110.4660	0.000	1	111.2341	5.111	14	111.1638	4.713	74	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5,6]C[5]H)(OH)(H)2	C[5](C[5,6]N[5,6]C[5]C[6])(C[5]C[5]HH)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5,6]C[5]H)(OH)(H)2	C[5](C[5,6]N[5,6]C[5]C[6])(C[5]C[5]HH)(CHHO)(H){1|O<2>,2|C<4>,6|H<1>}	O(CC[5]HH)(H)	112.5395	0.626	2	112.5395	0.392	2	111.2341	5.111	14	111.1638	4.713	74	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5,6]C[5]H)(OH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5,6]C[5]H)(OH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(CHHO)(H){1|O<2>,2|C<4>,3|H<1>}	O(CC[5]HH)(H)	113.7940	0.000	1	113.7940	0.000	1	111.2341	5.111	14	111.1638	4.713	74	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5,6]C[5]H)(OH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]CH)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5,6]C[5]H)(OH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]CH)(CHHO)(H){1|C<3>,4|C<4>}	O(CC[5]HH)(H)	114.2730	0.000	1	114.2730	0.000	1	111.2341	5.111	14	111.1638	4.713	74	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5,6]C[5]H)(OH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]HH)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5,6]C[5]H)(OH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]HH)(CHHO)(H){1|C<3>,4|C<4>}	O(CC[5]HH)(H)	112.5490	0.000	1	112.5490	0.000	1	111.2341	5.111	14	111.1638	4.713	74	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5,6]C[5]H)(OH)(H)2	C[5](C[5,6]N[6,6]C[5]C[6])(C[5]C[5]HH)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5,6]C[5]H)(OH)(H)2	C[5](C[5,6]N[6,6]C[5]C[6])(C[5]C[5]HH)(CHHO)(H){3|C<4>,7|H<1>}	O(CC[5]HH)(H)	111.1370	0.000	1	111.1370	0.000	1	111.2341	5.111	14	111.1638	4.713	74	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:N[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5,6]N[5]H)(OH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]CC)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5,6]N[5]H)(OH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]CC)(CHHO)(H){2|C<4>,5|H<1>}	O(CC[5]HH)(H)	108.5580	0.000	1	108.5580	0.000	1	108.5580	0.000	1	111.1638	4.713	74	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(CHHO)(H){1|H<1>,4|C<3>}	O(CC[5]HH)(H)	113.1420	2.087	4	113.1420	4.355	4	111.4799	4.529	39	111.1638	4.713	74	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(CHHO)(H){1|N<2>,1|O<1>,3|C<3>}	O(CC[5]HH)(H)	110.5880	0.000	1	110.5880	0.000	1	111.4799	4.529	39	111.1638	4.713	74	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5,5a]CO)(C[5]N[5,5a]CH)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5,5a]CO)(C[5]N[5,5a]CH)(CHHO)(H){2|C<3>}	O(CC[5]HH)(H)	112.3890	0.000	1	112.3890	0.000	1	111.4799	4.529	39	111.1638	4.713	74	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CHHO)(H){1|C<3>,1|C<4>,2|H<1>}	O(CC[5]HH)(H)	112.8620	0.000	2	112.0483	1.986	3	111.4799	4.529	39	111.1638	4.713	74	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CHHO)(H){1|H<1>,1|O<2>,2|C<4>}	O(CC[5]HH)(H)	110.4210	0.000	1	112.0483	1.986	3	111.4799	4.529	39	111.1638	4.713	74	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HH)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HH)(CHHO)(H){2|C<3>}	O(CC[5]HH)(H)	111.0860	3.622	2	111.0860	13.117	2	111.4799	4.529	39	111.1638	4.713	74	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]CC)(C[5]O[5]CC)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]CC)(C[5]O[5]CC)(CHHO)(H){1|C<4>,1|H<1>}	O(CC[5]HH)(H)	110.6885	1.668	2	110.6885	2.782	2	111.4799	4.529	39	111.1638	4.713	74	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CHHO)(H){4|H<1>}	O(CC[5]HH)(H)	113.2650	0.000	1	113.2650	0.000	1	111.4799	4.529	39	111.1638	4.713	74	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CHHO)(H){1|C<4>,1|O<1>}	O(CC[5]HH)(H)	111.3760	0.000	1	110.8290	8.930	3	111.4799	4.529	39	111.1638	4.713	74	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CHHO)(H){1|O<1>,2|C<4>}	O(CC[5]HH)(H)	110.5555	4.173	2	110.8290	8.930	3	111.4799	4.529	39	111.1638	4.713	74	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]FF)(C[5]C[5]HH)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]FF)(C[5]C[5]HH)(CHHO)(H){1|N<3>,3|H<1>}	O(CC[5]HH)(H)	109.1890	0.000	1	109.1890	0.000	1	111.4799	4.529	39	111.1638	4.713	74	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]FF)(C[5]C[5]HO)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]FF)(C[5]C[5]HO)(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	O(CC[5]HH)(H)	112.1717	0.990	3	112.1717	0.981	3	111.4799	4.529	39	111.1638	4.713	74	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]FF)(C[5]S[5]HH)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]FF)(C[5]S[5]HH)(CHHO)(H){1|H<1>,1|N<3>}	O(CC[5]HH)(H)	113.3250	0.000	2	113.3250	0.000	2	111.4799	4.529	39	111.1638	4.713	74	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]FH)(C[5]C[5]HO)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]FH)(C[5]C[5]HO)(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	O(CC[5]HH)(H)	110.9290	0.000	1	110.9290	0.000	1	111.4799	4.529	39	111.1638	4.713	74	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	O(CC[5]HH)(H)	111.9143	2.300	3	112.1857	3.821	4	111.4799	4.529	39	111.1638	4.713	74	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CHHO)(H){1|N<3>,3|H<1>}	O(CC[5]HH)(H)	113.0000	0.000	1	112.1857	3.821	4	111.4799	4.529	39	111.1638	4.713	74	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(CHHO)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	O(CC[5]HH)(H)	109.8660	0.000	1	109.8660	0.000	1	111.4799	4.529	39	111.1638	4.713	74	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CHHO)(H){1|C<3>,1|C<4>,1|O<1>}	O(CC[5]HH)(H)	112.4050	1.213	2	112.4050	1.472	2	111.4799	4.529	39	111.1638	4.713	74	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(CHHO)(H){1|C<3>,1|O<1>,2|C<4>}	O(CC[5]HH)(H)	105.5410	0.000	1	105.5410	0.000	1	111.4799	4.529	39	111.1638	4.713	74	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CHHO)(H){1|C<2>,2|H<1>,3|C<3>}	O(CC[5]HH)(H)	112.7550	0.496	2	112.7550	0.246	2	111.4799	4.529	39	111.1638	4.713	74	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CHHO)(H){3|H<1>,5|C<3>}	O(CC[5]HH)(H)	107.8650	0.000	1	107.8650	0.000	1	111.4799	4.529	39	111.1638	4.713	74	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CHHO)(H){2|H<1>,3|C<3>}	O(CC[5]HH)(H)	110.7130	0.000	1	110.7130	0.000	1	111.4799	4.529	39	111.1638	4.713	74	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]O[5]H)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]O[5]H)(CHHO)(H){1|H<1>,2|C<3>,3|C<4>}	O(CC[5]HH)(H)	107.7310	0.000	1	107.7310	0.000	1	111.4799	4.529	39	111.1638	4.713	74	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]O[5]CH)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]O[5]CH)(CHHO)(H){3|C<3>}	O(CC[5]HH)(H)	111.5570	0.000	1	111.5570	0.000	1	111.4799	4.529	39	111.1638	4.713	74	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]N[6a]C[5]H)(C[5]C[5]FF)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]N[6a]C[5]H)(C[5]C[5]FF)(CHHO)(H){2|C<3>,2|H<1>}	O(CC[5]HH)(H)	111.1050	0.000	1	111.1050	0.000	1	111.4799	4.529	39	111.1638	4.713	74	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CHHO)(H){1|N<3>,3|H<1>}	O(CC[5]HH)(H)	111.2910	0.000	1	111.2910	0.000	1	110.1197	2.726	6	111.1638	4.713	74	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CHHO)(H){4|H<1>}	O(CC[5]HH)(H)	109.7213	2.169	3	109.7213	4.705	3	110.1197	2.726	6	111.1638	4.713	74	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]CH)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]CH)(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	O(CC[5]HH)(H)	109.0430	0.000	1	109.0430	0.000	1	110.1197	2.726	6	111.1638	4.713	74	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]HH)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]HH)(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	O(CC[5]HH)(H)	111.2200	0.000	1	111.2200	0.000	1	110.1197	2.726	6	111.1638	4.713	74	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	N[5,6]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]N[5,6]C[5]H)(OH)(H)2	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]N[5,6]C[5]H)(OH)(H)2	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CHHO)(H){1|O<2>,3|C<4>,3|H<1>}	O(CC[5]HH)(H)	111.4820	0.000	1	111.4820	0.000	1	111.4820	0.000	1	111.1638	4.713	74	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	N[5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](N[5]C[5]PdH)(C[5]C[5]HH)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](N[5]C[5]PdH)(C[5]C[5]HH)(CHHO)(H){4|H<1>}	O(CC[5]HH)(H)	111.2890	2.667	6	111.2890	7.112	6	111.2890	7.112	6	111.1638	4.713	74	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:1:	C[5]-4:O-2:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5]P[5]H)(OH)(H)2	C[5](P[5]C[6a]C[5]O)(C[5]C[5]HH)(CHHO)(H)	O(CC[5]HH)(H)	C(C[5]C[5]P[5]H)(OH)(H)2	C[5](P[5]C[6a]C[5]O)(C[5]C[5]HH)(CHHO)(H){2|C<3>,4|H<1>}	O(CC[5]HH)(H)	108.7050	0.000	1	108.7050	0.000	1	108.7050	0.000	1	111.1638	4.713	74	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:C-4:	C(C[5]C[5,5]C[5]H)(OC)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(CHHO)(H)	O(CC[5]HH)(CC[6a]3)	C(C[5]C[5,5]C[5]H)(OC)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(CHHO)(H){2|C<3>,5|H<1>}	O(CC[5]HH)(CC[6a]3)	109.3170	0.000	1	109.3170	0.000	1	109.3170	0.000	1	109.9165	11.114	20	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:S-4:	C(C[5]C[5,5]C[5]H)(OS)(H)2	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(CHHO)(H)	O(CC[5]HH)(SCOO)	C(C[5]C[5,5]C[5]H)(OS)(H)2	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(CHHO)(H){1|C<4>,1|H<1>,1|O<2>}	O(CC[5]HH)(SCOO)	107.4430	0.000	1	107.4430	0.000	1	107.4430	0.000	1	109.9165	11.114	20	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:C-4:	C(C[5]C[5,6]C[5]H)(OC)(H)2	C[5](C[5,6]C[5]S[6]2)(C[5]C[5]HO)(CHHO)(H)	O(CC[5]HH)(CC[6a]3)	C(C[5]C[5,6]C[5]H)(OC)(H)2	C[5](C[5,6]C[5]S[6]2)(C[5]C[5]HO)(CHHO)(H){1|O<2>,2|C<4>,3|H<1>}	O(CC[5]HH)(CC[6a]3)	107.4880	0.000	1	107.4880	0.000	1	110.2975	15.787	2	109.9165	11.114	20	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:C-4:	C(C[5]C[5,6]C[5]H)(OC)(H)2	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C[6]H)(CHHO)(H)	O(CC[6a]HH)(CC[5]HH)	C(C[5]C[5,6]C[5]H)(OC)(H)2	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C[6]H)(CHHO)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O(CC[6a]HH)(CC[5]HH)	113.1070	0.000	1	113.1070	0.000	1	110.2975	15.787	2	109.9165	11.114	20	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:C-4:	C(C[5]C[5]2H)(OC)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CHHO)(H)	O(CC[6a]2O)(CC[5]HH)	C(C[5]C[5]2H)(OC)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CHHO)(H){1|O<1>}	O(CC[6a]2O)(CC[5]HH)	110.9650	0.000	1	110.9650	0.000	1	111.6517	29.904	3	109.9165	11.114	20	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:C-4:	C(C[5]C[5]2H)(OC)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CHHO)(H)	O(CC[6a]HH)(CC[5]HH)	C(C[5]C[5]2H)(OC)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CHHO)(H){1|C<4>,1|N<3>,2|H<1>}	O(CC[6a]HH)(CC[5]HH)	117.4310	0.000	1	117.4310	0.000	1	111.6517	29.904	3	109.9165	11.114	20	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:C-4:	C(C[5]C[5]2H)(OC)(H)2	C[5](C[5]C[5]HS)(C[5]N[5]CH)(CHHO)(H)	O(CC[6a]HH)(CC[5]HH)	C(C[5]C[5]2H)(OC)(H)2	C[5](C[5]C[5]HS)(C[5]N[5]CH)(CHHO)(H){1|C<4>,1|O<1>}	O(CC[6a]HH)(CC[5]HH)	106.5590	0.000	1	106.5590	0.000	1	111.6517	29.904	3	109.9165	11.114	20	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:Si-4:	C(C[5]C[5]2H)(OSi)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CHHO)(H)	O(CC[5]HH)(SiCCO)	C(C[5]C[5]2H)(OSi)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	O(CC[5]HH)(SiCCO)	113.9760	0.000	1	113.9760	0.000	1	113.9760	0.000	1	109.9165	11.114	20	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:	C(C[5]C[5]2H)(OC[5])(H)2	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CHHO)(H)	O(C[5]C[5,6a]C[5]C)(CC[5]HH)	C(C[5]C[5]2H)(OC[5])(H)2	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CHHO)(H){2|C<3>}	O(C[5]C[5,6a]C[5]C)(CC[5]HH)	111.7230	0.000	1	111.7230	0.000	1	111.7230	0.000	1	109.9165	11.114	20	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	S-4:C-4:	C(C[5]C[5]2H)(OS)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CHHO)(H)	O(SC[6a]OO)(CC[5]HH)	C(C[5]C[5]2H)(OS)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CHHO)(H){1|C<3>,1|C<4>}	O(SC[6a]OO)(CC[5]HH)	107.9280	0.000	1	107.9280	0.000	1	107.1127	0.626	3	109.9165	11.114	20	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	S-4:C-4:	C(C[5]C[5]2H)(OS)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CHHO)(H)	O(SC[6a]OO)(CC[5]HH)	C(C[5]C[5]2H)(OS)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CHHO)(H){1|S<4>,2|C<3>,2|H<1>}	O(SC[6a]OO)(CC[5]HH)	106.7050	0.505	2	106.7050	0.255	2	107.1127	0.626	3	109.9165	11.114	20	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C-4:C-4:	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]CC)(CHHO)(H)	O(CC[5]HH)(CH3)	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]CC)(CHHO)(H){4|H<1>}	O(CC[5]HH)(CH3)	110.7600	0.071	2	110.7600	0.005	2	112.5855	4.940	4	109.9165	11.114	20	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C-4:C-4:	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CHHO)(H)	O(CC[5]HH)(CH3)	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CHHO)(H){4|H<1>}	O(CC[5]HH)(CH3)	115.2730	0.000	1	115.2730	0.000	1	112.5855	4.940	4	109.9165	11.114	20	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C-4:C-4:	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CHHO)(H)	O(CC[5]HH)2	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CHHO)(H){4|H<1>}	O(CC[5]HH)2	113.5490	0.000	1	113.5490	0.000	1	112.5855	4.940	4	109.9165	11.114	20	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	N[5]-4:C[5]-4:C-4:H-1:	C-4:C-4:	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](N[5]C[5]RhH)(C[5]C[5]HH)(CHHO)(H)	O(CC[5]HH)(CH3)	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](N[5]C[5]RhH)(C[5]C[5]HH)(CHHO)(H){4|H<1>}	O(CC[5]HH)(CH3)	107.3785	0.330	2	107.3785	0.109	2	107.3785	0.109	2	109.9165	11.114	20	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:1:	4:4:	C[5]-4:O-2:H-1:H-1:	S[5]-4:S[5]-4:C-4:H-1:	C-4:C-4:	C(C[5]S[5]2H)(OC)(H)2	C[5](S[5]C[5]OO)2(CHHO)(H)	O(CC[5]HH)(CH3)	C(C[5]S[5]2H)(OC)(H)2	C[5](S[5]C[5]OO)2(CHHO)(H){4|H<1>}	O(CC[5]HH)(CH3)	106.9420	1.089	2	106.9420	1.186	2	106.9420	1.186	2	109.9165	11.114	20	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:2:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C-4:H-1:	C(C[5]C[5,6]C[5]O)(OH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CHHO)(OH)	O(CC[5]HH)(H)	C(C[5]C[5,6]C[5]O)(OH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CHHO)(OH){2|C<4>,5|H<1>}	O(CC[5]HH)(H)	110.0950	0.000	1	110.0950	0.000	1	111.6056	4.113	7	111.3582	4.015	8	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:2:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C-4:H-1:	C(C[5]C[5,6]C[5]O)(OH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHHO)(OC)	O(CC[5]HH)(H)	C(C[5]C[5,6]C[5]O)(OH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHHO)(OC){3|C<4>,4|H<1>}	O(CC[5]HH)(H)	109.3820	0.000	1	109.3820	0.000	1	111.6056	4.113	7	111.3582	4.015	8	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:2:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C-4:H-1:	C(C[5]C[5,6]C[5]O)(OH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHHO)(OH)	O(CC[5]HH)(H)	C(C[5]C[5,6]C[5]O)(OH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHHO)(OH){3|C<4>,4|H<1>}	O(CC[5]HH)(H)	112.8510	0.983	2	112.8510	0.966	2	111.6056	4.113	7	111.3582	4.015	8	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:2:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C-4:H-1:	C(C[5]C[5,6]C[5]O)(OH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CHHO)(OH)	O(CC[5]HH)(H)	C(C[5]C[5,6]C[5]O)(OH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CHHO)(OH){3|C<4>,4|H<1>}	O(CC[5]HH)(H)	113.4845	0.037	2	113.4845	0.001	2	111.6056	4.113	7	111.3582	4.015	8	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:2:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C-4:H-1:	C(C[5]C[5,6]C[5]O)(OH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CHHO)(OH)	O(CC[5]HH)(H)	C(C[5]C[5,6]C[5]O)(OH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CHHO)(OH){1|C<4>,2|O<2>,4|H<1>}	O(CC[5]HH)(H)	109.0910	0.000	1	109.0910	0.000	1	111.6056	4.113	7	111.3582	4.015	8	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:2:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:H-1:	C(C[5]C[5]2O)(OH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CHHO)(OSi)	O(CC[5]HH)(H)	C(C[5]C[5]2O)(OH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CHHO)(OSi){1|C<4>,1|O<2>,2|H<1>}	O(CC[5]HH)(H)	109.6270	0.000	1	109.6270	0.000	1	109.6270	0.000	1	111.3582	4.015	8	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:2:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	C-4:C-4:	C(C[5]C[5,5]C[5]O)(OC)(H)2	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]CH)(CHHO)(OH)	O(CC[5]HH)(CH3)	C(C[5]C[5,5]C[5]O)(OC)(H)2	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]CH)(CHHO)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	O(CC[5]HH)(CH3)	110.3950	0.000	1	110.3950	0.000	1	108.6670	5.972	2	108.4970	1.860	7	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:2:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	C-4:C-4:	C(C[5]C[5,5]C[5]O)(OC)(H)2	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(CHHO)(OH)	O(CC[5]HH)(CH3)	C(C[5]C[5,5]C[5]O)(OC)(H)2	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(CHHO)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	O(CC[5]HH)(CH3)	106.9390	0.000	1	106.9390	0.000	1	108.6670	5.972	2	108.4970	1.860	7	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:2:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	C-4:Si-4:	C(C[5]C[5,5]C[5]O)(OSi)(H)2	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)(CHHO)(OH)	O(CC[5]HH)(SiC3)	C(C[5]C[5,5]C[5]O)(OSi)(H)2	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)(CHHO)(OH){1|C<4>,2|H<1>,2|O<2>}	O(CC[5]HH)(SiC3)	108.4380	0.000	1	108.4380	0.000	1	108.4380	0.000	1	108.4970	1.860	7	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:2:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:C-4:	C(C[5]C[5]2O)(OC)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CHHO)(OH)	O(CC[5]HH)(CH3)	C(C[5]C[5]2O)(OC)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CHHO)(OH){1|H<1>,1|O<1>}	O(CC[5]HH)(CH3)	108.9110	0.000	1	108.9110	0.000	1	108.5737	2.423	3	108.4970	1.860	7	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:2:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:C-4:	C(C[5]C[5]2O)(OC)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CHHO)(OH)	O(CC[6a]HH)(CC[5]HH)	C(C[5]C[5]2O)(OC)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CHHO)(OH){1|H<1>,1|O<1>}	O(CC[6a]HH)(CC[5]HH)	109.9340	0.000	1	109.9340	0.000	1	108.5737	2.423	3	108.4970	1.860	7	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:2:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:C-4:	C(C[5]C[5]2O)(OC)(H)2	C[5](C[5]C[5]HN)(C[5]C[5]HO)(CHHO)(OH)	O(CC[6a]HH)(CC[5]HH)	C(C[5]C[5]2O)(OC)(H)2	C[5](C[5]C[5]HN)(C[5]C[5]HO)(CHHO)(OH){2|H<1>,2|O<2>}	O(CC[6a]HH)(CC[5]HH)	106.8760	0.000	1	106.8760	0.000	1	108.5737	2.423	3	108.4970	1.860	7	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:2:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	Si-4:C-4:	C(C[5]C[5]2O)(OSi)(H)2	C[5](C[5]C[5,5]HO)(C[5]C[5]HH)(CHHO)(OH)	O(SiC[6a]2C)(CC[5]HH)	C(C[5]C[5]2O)(OSi)(H)2	C[5](C[5]C[5,5]HO)(C[5]C[5]HH)(CHHO)(OH){1|C<4>,1|N<2>,1|O<1>}	O(SiC[6a]2C)(CC[5]HH)	107.9860	0.000	1	107.9860	0.000	1	107.9860	0.000	1	108.4970	1.860	7	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:3:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:N-3:	C-4:H-1:	C(C[5]C[5,5]C[5]N)(OH)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CHHO)(NOO)	O(CC[5]HH)(H)	C(C[5]C[5,5]C[5]N)(OH)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CHHO)(NOO){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	O(CC[5]HH)(H)	114.7280	0.222	2	114.7280	0.049	2	114.1703	0.958	3	111.8846	7.456	7	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:3:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:N-3:	C-4:H-1:	C(C[5]C[5,5]C[5]N)(OH)(H)2	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CHHO)(NOO)	O(CC[5]HH)(H)	C(C[5]C[5,5]C[5]N)(OH)(H)2	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CHHO)(NOO){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	O(CC[5]HH)(H)	113.0550	0.000	1	113.0550	0.000	1	114.1703	0.958	3	111.8846	7.456	7	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:3:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:N-3:	C-4:H-1:	C(C[5]C[5]2N)(OH)(H)2	C[5](C[5]C[5]HH)2(CHHO)(NCH)	O(CC[5]HH)(H)	C(C[5]C[5]2N)(OH)(H)2	C[5](C[5]C[5]HH)2(CHHO)(NCH){4|H<1>}	O(CC[5]HH)(H)	111.8705	1.952	2	111.8705	3.812	2	110.7643	5.577	3	111.8846	7.456	7	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:3:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:N-3:	C-4:H-1:	C(C[5]C[5]2N)(OH)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(CHHO)(NOO)	O(CC[5]HH)(H)	C(C[5]C[5]2N)(OH)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(CHHO)(NOO){1|C<4>,2|C<3>,2|H<1>}	O(CC[5]HH)(H)	108.5520	0.000	1	108.5520	0.000	1	110.7643	5.577	3	111.8846	7.456	7	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:3:	4:1:	C[5]-4:O-2:H-1:H-1:	N[5]-4:C[5]-4:C-4:C-3:	C-4:H-1:	C(C[5]C[5]N[5]C)(OH)(H)2	C[5](N[5]C[5]CoH)(C[5]C[5]HH)(CHHO)(COO)	O(CC[5]HH)(H)	C(C[5]C[5]N[5]C)(OH)(H)2	C[5](N[5]C[5]CoH)(C[5]C[5]HH)(CHHO)(COO){4|H<1>}	O(CC[5]HH)(H)	108.3880	0.000	1	108.3880	0.000	1	108.3880	0.000	1	111.8846	7.456	7	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:4:	4:1:	C[5]-4:O-2:H-1:H-1:	C[3,5,6]-4:C[5]-4:C-4:C-4:	C-4:H-1:	C(C[5]C[3,5,6]C[5]C)(OH)(H)2	C[5](C[3,5,6]C[3,6]C[5,6]O[3])(C[5]C[5]HH)(CHHO)(CH3)	O(CC[5]HH)(H)	C(C[5]C[3,5,6]C[5]C)(OH)(H)2	C[5](C[3,5,6]C[3,6]C[5,6]O[3])(C[5]C[5]HH)(CHHO)(CH3){1|H<1>,5|C<4>}	O(CC[5]HH)(H)	110.4290	0.000	1	110.4290	0.000	1	110.4290	0.000	1	112.5037	3.056	20	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:4:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C-4:H-1:	C(C[5]C[5,5]C[5,6]C)(OH)(H)2	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(CHHO)(CH3)	O(CC[5]HH)(H)	C(C[5]C[5,5]C[5,6]C)(OH)(H)2	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(CHHO)(CH3){1|O<2>,4|H<1>,5|C<4>}	O(CC[5]HH)(H)	112.6560	0.000	1	112.6560	0.000	1	112.6560	0.000	1	112.5037	3.056	20	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:4:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C-4:H-1:	C(C[5]C[5,6]C[5]C)(OH)(H)2	C[5](C[5,6]C[3,6,6]C[5,6]H)(C[5]C[5]HH)(CHHO)(CH3)	O(CC[5]HH)(H)	C(C[5]C[5,6]C[5]C)(OH)(H)2	C[5](C[5,6]C[3,6,6]C[5,6]H)(C[5]C[5]HH)(CHHO)(CH3){3|H<1>,4|C<4>}	O(CC[5]HH)(H)	111.9220	0.000	1	111.9220	0.000	1	112.1716	4.337	5	112.5037	3.056	20	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:4:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C-4:H-1:	C(C[5]C[5,6]C[5]C)(OH)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(CHHO)(CH3)	O(CC[5]HH)(H)	C(C[5]C[5,6]C[5]C)(OH)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(CHHO)(CH3){1|O<2>,2|H<1>,4|C<4>}	O(CC[5]HH)(H)	113.2460	0.000	1	113.2460	0.000	1	112.1716	4.337	5	112.5037	3.056	20	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:4:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C-4:H-1:	C(C[5]C[5,6]C[5]C)(OH)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CHHO)(CH3)	O(CC[5]HH)(H)	C(C[5]C[5,6]C[5]C)(OH)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CHHO)(CH3){1|C<3>,3|C<4>,3|H<1>}	O(CC[5]HH)(H)	113.5235	0.161	2	113.5235	0.026	2	112.1716	4.337	5	112.5037	3.056	20	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:4:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C-4:H-1:	C(C[5]C[5,6]C[5]C)(OH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]HH)(CHHO)(CH3)	O(CC[5]HH)(H)	C(C[5]C[5,6]C[5]C)(OH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]HH)(CHHO)(CH3){1|C<3>,4|C<4>}	O(CC[5]HH)(H)	108.6430	0.000	1	108.6430	0.000	1	112.1716	4.337	5	112.5037	3.056	20	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:4:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:H-1:	C(C[5]C[5]2C)(OH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(CHHO)(CH3)	O(CC[5]HH)(H)	C(C[5]C[5]2C)(OH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(CHHO)(CH3){1|H<1>,3|C<4>}	O(CC[5]HH)(H)	109.5420	0.000	1	109.5420	0.000	1	112.9067	3.148	11	112.5037	3.056	20	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:4:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:H-1:	C(C[5]C[5]2C)(OH)(H)2	C[5](C[5]C[5,6]HH)2(CHHO)2	O(CC[5]HH)(H)	C(C[5]C[5]2C)(OH)(H)2	C[5](C[5]C[5,6]HH)2(CHHO)2{2|H<1>,2|S<2>}	O(CC[5]HH)(H)	112.4665	2.239	2	112.4665	5.015	2	112.9067	3.148	11	112.5037	3.056	20	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:4:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:H-1:	C(C[5]C[5]2C)(OH)(H)2	C[5](C[5]C[5,6a]HH)2(CHHO)(CH3)	O(CC[5]HH)(H)	C(C[5]C[5]2C)(OH)(H)2	C[5](C[5]C[5,6a]HH)2(CHHO)(CH3){2|C<3>}	O(CC[5]HH)(H)	114.2610	0.000	1	114.2610	0.000	1	112.9067	3.148	11	112.5037	3.056	20	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:4:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:H-1:	C(C[5]C[5]2C)(OH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CC[3]HO)(CHHO)	O(CC[5]HH)(H)	C(C[5]C[5]2C)(OH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CC[3]HO)(CHHO){1|O<2>,3|H<1>}	O(CC[5]HH)(H)	116.0850	0.000	1	116.0850	0.000	1	112.9067	3.148	11	112.5037	3.056	20	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:4:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:H-1:	C(C[5]C[5]2C)(OH)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCHH)(CHHO)	O(CC[5]HH)(H)	C(C[5]C[5]2C)(OH)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCHH)(CHHO){1|C<4>,3|H<1>}	O(CC[5]HH)(H)	112.0730	0.000	1	112.0730	0.000	1	112.9067	3.148	11	112.5037	3.056	20	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:4:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:H-1:	C(C[5]C[5]2C)(OH)(H)2	C[5](C[5]C[5]FF)(C[5]O[5]CH)(CHHO)(CH3)	O(CC[5]HH)(H)	C(C[5]C[5]2C)(OH)(H)2	C[5](C[5]C[5]FF)(C[5]O[5]CH)(CHHO)(CH3){1|H<1>,1|N<3>}	O(CC[5]HH)(H)	112.1950	0.000	1	112.1950	0.000	1	112.9067	3.148	11	112.5037	3.056	20	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:4:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:H-1:	C(C[5]C[5]2C)(OH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CC[6a]HH)(CHHO)	O(CC[5]HH)(H)	C(C[5]C[5]2C)(OH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CC[6a]HH)(CHHO){1|C<3>,1|C<4>}	O(CC[5]HH)(H)	113.4785	0.548	2	113.4785	0.300	2	112.9067	3.148	11	112.5037	3.056	20	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:4:	4:1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:H-1:	C(C[5]C[5]2C)(OH)(H)2	C[5](C[5]C[5]HH)2(CHHO)2	O(CC[5]HH)(H)	C(C[5]C[5]2C)(OH)(H)2	C[5](C[5]C[5]HH)2(CHHO)2{4|H<1>}	O(CC[5]HH)(H)	112.9640	0.810	2	112.9640	0.657	2	112.9067	3.148	11	112.5037	3.056	20	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:4:	4:1:	C[5]-4:O-2:H-1:H-1:	N[5]-4:C[5]-4:C-4:C-4:	C-4:H-1:	C(C[5]C[5]N[5]C)(OH)(H)2	C[5](N[5]C[5]CoH)(C[5]O[5]HH)(CHHO)2	O(CC[5]HH)(H)	C(C[5]C[5]N[5]C)(OH)(H)2	C[5](N[5]C[5]CoH)(C[5]O[5]HH)(CHHO)2{1|C<3>,1|H<1>}	O(CC[5]HH)(H)	111.0270	0.000	1	111.0270	0.000	1	112.0790	2.213	2	112.5037	3.056	20	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:4:	4:1:	C[5]-4:O-2:H-1:H-1:	N[5]-4:C[5]-4:C-4:C-4:	C-4:H-1:	C(C[5]C[5]N[5]C)(OH)(H)2	C[5](N[5]C[5]ZnH)(C[5]O[5]HH)(CHHO)2	O(CC[5]HH)(H)	C(C[5]C[5]N[5]C)(OH)(H)2	C[5](N[5]C[5]ZnH)(C[5]O[5]HH)(CHHO)2{1|C<3>,1|H<1>}	O(CC[5]HH)(H)	113.1310	0.000	1	113.1310	0.000	1	112.0790	2.213	2	112.5037	3.056	20	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:4:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-4:	C-4:C-4:	C(C[5]C[5,5]C[5]C)(OC)(H)2	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]CC)(CHHO)(CH3)	O(CC[6a]HH)(CC[5]HH)	C(C[5]C[5,5]C[5]C)(OC)(H)2	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]CC)(CHHO)(CH3){1|O<1>,2|C<3>,3|H<1>}	O(CC[6a]HH)(CC[5]HH)	109.5490	0.000	1	109.5490	0.000	1	109.5490	0.000	1	109.9237	2.125	20	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:4:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-4:	Si-4:C-4:	C(C[5]C[5,5]C[5]C)(OSi)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CHHO)(CH3)	O(SiC[6a]2C)(CC[5]HH)	C(C[5]C[5,5]C[5]C)(OSi)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CHHO)(CH3){1|O<1>,2|C<3>,3|H<1>}	O(SiC[6a]2C)(CC[5]HH)	112.3130	0.000	1	112.3130	0.000	1	112.3130	0.000	1	109.9237	2.125	20	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:4:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:C-4:	C(C[5]C[5]2C)(OC)(H)2	C[5](C[5]C[5,5]HH)2(CHHO)2	O(CC[5]HH)(CH3)	C(C[5]C[5]2C)(OC)(H)2	C[5](C[5]C[5,5]HH)2(CHHO)2{2|C<3>}	O(CC[5]HH)(CH3)	109.4262	0.826	6	109.4262	0.682	6	109.4031	0.537	12	109.9237	2.125	20	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:4:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:C-4:	C(C[5]C[5]2C)(OC)(H)2	C[5](C[5]C[5,5a]HH)2(CHHO)2	O(CC[5]HH)(CH3)	C(C[5]C[5]2C)(OC)(H)2	C[5](C[5]C[5,5a]HH)2(CHHO)2{2|C<3>}	O(CC[5]HH)(CH3)	109.0485	0.284	2	109.0485	0.080	2	109.4031	0.537	12	109.9237	2.125	20	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:4:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:C-4:	C(C[5]C[5]2C)(OC)(H)2	C[5](C[5]C[5,6,6]HH)2(CHHO)2	O(CC[5]HH)(CH3)	C(C[5]C[5]2C)(OC)(H)2	C[5](C[5]C[5,6,6]HH)2(CHHO)2{2|C<4>}	O(CC[5]HH)(CH3)	109.7815	0.275	2	109.7815	0.076	2	109.4031	0.537	12	109.9237	2.125	20	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:4:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:C-4:	C(C[5]C[5]2C)(OC)(H)2	C[5](C[5]C[5,6]HH)2(CHHO)2	O(CC[5]HH)(CH3)	C(C[5]C[5]2C)(OC)(H)2	C[5](C[5]C[5,6]HH)2(CHHO)2{1|C<3>,1|C<4>,1|H<1>}	O(CC[5]HH)(CH3)	109.3100	1.335	2	109.3100	1.782	2	109.4031	0.537	12	109.9237	2.125	20	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:4:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:Si-4:	C(C[5]C[5]2C)(OSi)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CHHO)(CH3)	O(CC[5]HH)(SiC3)	C(C[5]C[5]2C)(OSi)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CHHO)(CH3){1|B<3>,2|C<3>,3|H<1>}	O(CC[5]HH)(SiC3)	111.2060	0.000	1	111.2060	0.000	1	111.2060	0.000	1	109.9237	2.125	20	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:4:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	S-4:C-4:	C(C[5]C[5]2C)(OS)(H)2	C[5](C[5]C[5,5a]HH)2(CHHO)2	O(SC[6a]2C)(CC[5]HH)	C(C[5]C[5]2C)(OS)(H)2	C[5](C[5]C[5,5a]HH)2(CHHO)2{2|C<3>}	O(SC[6a]2C)(CC[5]HH)	110.8980	0.000	1	110.8980	0.000	1	110.8980	0.000	1	109.9237	2.125	20	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:4:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	Si-4:C-4:	C(C[5]C[5]2C)(OSi)(H)2	C[5](C[5]C[5,5]HH)2(CHHO)2	O(SiC[6a]2C)(CC[5]HH)	C(C[5]C[5]2C)(OSi)(H)2	C[5](C[5]C[5,5]HH)2(CHHO)2{2|C<3>}	O(SiC[6a]2C)(CC[5]HH)	109.5715	0.654	2	109.5715	0.428	2	110.4180	7.265	4	109.9237	2.125	20	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:1:1:	4:4:4:4:	4:4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	Si-4:C-4:	C(C[5]C[5]2C)(OSi)(H)2	C[5](C[5]C[5,5a]HH)2(CHHO)2	O(SiC[6a]2C)(CC[5]HH)	C(C[5]C[5]2C)(OSi)(H)2	C[5](C[5]C[5,5a]HH)2(CHHO)2{2|C<3>}	O(SiC[6a]2C)(CC[5]HH)	111.2645	4.301	2	111.2645	18.501	2	110.4180	7.265	4	109.9237	2.125	20	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:2:1:	3:4:2:4:	4:4:	C[5]-4:O-2:O-2:H-1:	C[5a]-3:C[5]-4:N[5]-2:C-4:	C-4:C-4:	C(C[5]C[5a]C[5]N[5])(OC)2(H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(N[5]C[5])(CHOO)	O(CC[5]HO)(CH3)	C(C[5]C[5a]C[5]N[5])(OC)2(H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(N[5]C[5])(CHOO){2|C<4>,2|H<1>,3|C<3>}	O(CC[5]HO)(CH3)	108.5210	0.639	2	108.5210	0.409	2	108.5210	0.409	2	108.5210	0.409	2	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:2:1:	4:2:4:1:	4:1:	C[5]-4:C-2:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CC)(OH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CC)(OH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,1|O<2>,2|H<1>}	O(CC[5]CH)(H)	108.2290	0.000	1	108.2290	0.000	1	108.2290	0.000	1	108.2290	0.000	1	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:2:1:	4:2:4:2:	4:4:	C[5]-4:C-2:O-2:H-1:	C[5]-4:O[5]-2:C-4:C-2:	C-4:C-4:	C(C[5]C[5]O[5]C)(CC)(OC)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(CC)	O(CC[5]CH)(CH3)	C(C[5]C[5]O[5]C)(CC)(OC)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(CC){1|C<3>,1|H<1>}	O(CC[5]CH)(CH3)	110.6680	0.000	1	110.6680	0.000	1	110.6680	0.000	1	110.6680	0.000	1	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:2:1:	4:2:4:3:	4:4:	C[5]-4:C-2:O-2:H-1:	C[5]-4:O[5]-2:C-4:C-3:	C-4:C-4:	C(C[5]C[5]O[5]C)(CC)(OC)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(CNO)	O(CC[6a]HH)(CC[5]CH)	C(C[5]C[5]O[5]C)(CC)(OC)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(CNO){2|C<4>}	O(CC[6a]HH)(CC[5]CH)	106.4920	0.000	1	106.4920	0.000	1	106.4920	0.000	1	106.4920	0.000	1	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:2:1:	4:3:4:1:	4:1:	C[5]-4:C-2:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(CC)(OH)(H)	C[5](C[5]O[5]HH)(N[5]C[5]S)(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]N[5]H)(CC)(OH)(H)	C[5](C[5]O[5]HH)(N[5]C[5]S)(CCHO)(H){2|C<4>}	O(CC[5]CH)(H)	112.1780	0.148	2	112.1780	0.022	2	112.1780	0.022	2	112.1780	0.022	2	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:2:1:	4:4:4:1:	4:2:	C[5]-4:O-2:O-2:H-1:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C-4:O-2:	C(C[5]C[5,6,6]C[5]H)(OC)(OO)(H)	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5]HH)(CHOO)(H)	O(CC[5]HO)(OC)	C(C[5]C[5,6,6]C[5]H)(OC)(OO)(H)	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5]HH)(CHOO)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	O(CC[5]HO)(OC)	117.1220	0.000	1	117.1220	0.000	1	117.1220	0.000	1	117.1220	0.000	1	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:2:1:	4:4:4:1:	4:4:	C[5]-4:O-2:O-2:H-1:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C-4:C-4:	C(C[5]C[5,6,6]C[5]H)(OC)(OO)(H)	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5]HH)(CHOO)(H)	O(CC[5]HO)(CH3)	C(C[5]C[5,6,6]C[5]H)(OC)(OO)(H)	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5]HH)(CHOO)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	O(CC[5]HO)(CH3)	104.3130	0.000	1	104.3130	0.000	1	104.3130	0.000	1	109.0405	6.656	11	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:2:1:	4:4:4:1:	4:4:	C[5]-4:O-2:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:C-4:	C(C[5]C[5]2H)(OC)2(H)	C[5](C[5]C[5,6]CS)(C[5]N[5,6]CH)(CHOO)(H)	O(CC[5]HO)(CCHH)	C(C[5]C[5]2H)(OC)2(H)	C[5](C[5]C[5,6]CS)(C[5]N[5,6]CH)(CHOO)(H){1|H<1>,2|C<3>}	O(CC[5]HO)(CCHH)	108.9470	3.596	2	108.9470	12.934	2	109.5133	4.664	10	109.0405	6.656	11	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:2:1:	4:4:4:1:	4:4:	C[5]-4:O-2:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:C-4:	C(C[5]C[5]2H)(OC)2(H)	C[5](C[5]C[5]HS)(C[5]N[5]CH)(CHOO)(H)	O(CC[5]HO)(CH3)	C(C[5]C[5]2H)(OC)2(H)	C[5](C[5]C[5]HS)(C[5]N[5]CH)(CHOO)(H){1|C<4>,1|O<1>}	O(CC[5]HO)(CH3)	109.9020	3.260	2	109.9020	10.626	2	109.5133	4.664	10	109.0405	6.656	11	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:2:1:	4:4:4:1:	4:4:	C[5]-4:O-2:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:C-4:	C(C[5]C[5]2H)(OC)2(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(CHOO)(H)	O(CC[5]HO)(CH3)	C(C[5]C[5]2H)(OC)2(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(CHOO)(H){1|C<3>,1|O<1>,2|O<2>}	O(CC[5]HO)(CH3)	109.6165	2.668	2	109.6165	7.118	2	109.5133	4.664	10	109.0405	6.656	11	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:2:1:	4:4:4:1:	4:4:	C[5]-4:O-2:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:C-4:	C(C[5]C[5]2H)(OC)2(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CHOO)(H)	O(CC[5]HO)(CCHH)	C(C[5]C[5]2H)(OC)2(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CHOO)(H){1|H<1>,3|C<3>}	O(CC[5]HO)(CCHH)	110.0785	2.599	2	110.0785	6.753	2	109.5133	4.664	10	109.0405	6.656	11	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:2:1:	4:4:4:1:	4:4:	C[5]-4:O-2:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:C-4:	C(C[5]C[5]2H)(OC)2(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CHOO)(H)	O(CC[5]HO)(CH3)	C(C[5]C[5]2H)(OC)2(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CHOO)(H){1|O<1>,2|C<3>}	O(CC[5]HO)(CH3)	109.0225	1.568	2	109.0225	2.458	2	109.5133	4.664	10	109.0405	6.656	11	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:2:1:	4:4:4:3:	4:1:	C[5]-4:O-2:O-2:H-1:	N[5]-4:C[5]-4:C-4:C-3:	C-4:H-1:	C(C[5]C[5]N[5]C)(OH)2(H)	C[5](N[5]C[5]CoH)(C[5]C[5]HH)(CHOO)(COO)	O(CC[5]HO)(H)	C(C[5]C[5]N[5]C)(OH)2(H)	C[5](N[5]C[5]CoH)(C[5]C[5]HH)(CHOO)(COO){4|H<1>}	O(CC[5]HO)(H)	108.3175	1.910	2	108.3175	3.648	2	108.3175	3.648	2	108.3175	3.648	2	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:4:1:	3:4:4:1:	3:4:	C[5]-4:O-2:C-4:H-1:	N[5]-3:C[5]-4:C-4:H-1:	N[6]-3:C-4:	C(C[5]C[5]N[5]H)(ON[6])(CHHO)(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(CCHO)(H)	O(N[6]C[6]2)(CC[5]CH)	C(C[5]C[5]N[5]H)(ON[6])(CHHO)(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(CCHO)(H){3|C<3>}	O(N[6]C[6]2)(CC[5]CH)	107.3900	0.000	1	107.3900	0.000	1	107.3900	0.000	1	107.3900	0.000	1	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:4:1:	4:2:4:1:	4:4:	C[5]-4:O-2:C-4:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C[6]-4:C-4:	C(C[5]C[5,5]O[5]H)(OC[6])(CCHN)(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHO)(H)	O(C[6]C[6]O[6]H)(CC[5]CH)	C(C[5]C[5,5]O[5]H)(OC[6])(CCHN)(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHO)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]H)(CC[5]CH)	106.0290	0.000	1	106.0290	0.000	1	106.0290	0.000	1	108.2115	2.243	4	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:4:1:	4:2:4:1:	4:4:	C[5]-4:O-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[6]-4:C-4:	C(C[5]C[5]O[5]H)(OC[6])(CCHH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	O(C[6]C[6]2H)(CC[5]CH)	C(C[5]C[5]O[5]H)(OC[6])(CCHH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>}	O(C[6]C[6]2H)(CC[5]CH)	108.9390	0.435	3	108.9390	0.190	3	108.9390	0.190	3	108.2115	2.243	4	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:4:1:	4:2:4:4:	4:4:	C[5]-4:O-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[6]-4:C-4:	C(C[5]C[5]O[5]C)(OC[6])(CCCH)(H)	C[5](C[5]C[5]HH)(O[5]C[5,5])(CCHO)(CH3)	O(C[6]C[6]O[6]H)(CC[5]CH)	C(C[5]C[5]O[5]C)(OC[6])(CCCH)(H)	C[5](C[5]C[5]HH)(O[5]C[5,5])(CCHO)(CH3){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]O[6]H)(CC[5]CH)	111.1390	0.000	1	111.1390	0.000	1	111.1390	0.000	1	111.1390	0.000	1	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:4:1:	4:4:4:1:	4:4:	C[5]-4:O-2:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[6]-4:C-4:	C(C[5]C[5,6]C[5]H)(OC[6])(CH3)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CCHO)(H)	O(C[6]C[6,6a]O[6]H)(CC[5]CH)	C(C[5]C[5,6]C[5]H)(OC[6])(CH3)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CCHO)(H){1|O<2>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]O[6]H)(CC[5]CH)	111.8200	0.229	2	111.8200	0.052	2	111.8200	0.052	2	111.8200	0.052	2	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:4:4:	4:4:4:1:	4:4:	C[5]-4:O-2:C-4:C-4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[6]-4:C-4:	C(C[5]C[5,6]C[5]H)(OC[6])(CCHH)(CH3)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCCO)(H)	O(C[6]C[6]O[6]H)(CC[5]CC)	C(C[5]C[5,6]C[5]H)(OC[6])(CCHH)(CH3)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCCO)(H){1|O<2>,3|C<4>,3|H<1>}	O(C[6]C[6]O[6]H)(CC[5]CC)	103.1104	2.420	5	103.1104	5.854	5	103.1104	5.854	5	103.1104	5.854	5	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:2:4:4:	4:4:4:1:	6:4:	C[5]-4:O-2:C-4:C-4:	C[5]-4:C[5]-4:C-4:H-1:	Si[4x6]-6:C-4:	C(C[5]C[5]2H)(OSi[4x6])(CCHH)(CH3)	C[5](C[5]C[3]C[5]H)(C[5]C[5]HH)(CCCO)(H)	O(Si[4x6]N[5a,6,6]4O)(CC[5]CC)	C(C[5]C[5]2H)(OSi[4x6])(CCHH)(CH3)	C[5](C[5]C[3]C[5]H)(C[5]C[5]HH)(CCCO)(H){3|C<4>,4|H<1>}	O(Si[4x6]N[5a,6,6]4O)(CC[5]CC)	106.6575	0.510	2	106.6575	0.260	2	106.6575	0.260	2	106.6575	0.260	2	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	2:3:4:1:	4:1:	C[5]-4:C[6a]-3:O-2:H-1:	O[5]-2:C[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](O[5]C[5,5])(C[5]C[5]H)(CC[6a]HO)(H)	O(CC[6a]C[5]H)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](O[5]C[5,5])(C[5]C[5]H)(CC[6a]HO)(H){1|C<4>,1|H<1>,1|N<3>}	O(CC[6a]C[5]H)(H)	110.4865	0.064	2	110.4865	0.004	2	108.1387	3.306	7	108.1387	3.306	7	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	2:3:4:1:	4:1:	C[5]-4:C[6a]-3:O-2:H-1:	O[5]-2:C[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](O[5]C[5,6])(C[5]C[5]H)(CC[6a]HO)(H)	O(CC[6a]C[5]H)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](O[5]C[5,6])(C[5]C[5]H)(CC[6a]HO)(H){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]C[5]H)(H)	107.1996	1.048	5	107.1996	1.099	5	108.1387	3.306	7	108.1387	3.306	7	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	2:3:4:3:	4:4:	C[5]-4:C[6a]-3:O-2:H-1:	O[5]-2:C[5]-3:C-4:C-3:	C[6]-4:C-4:	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(OC[6])(H)	C[5](O[5]C[5,5])(C[5]C[5]O)(CC[6a]HO)(COO)	O(C[6]C[5]C[6]2)(CC[6a]C[5]H)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(OC[6])(H)	C[5](O[5]C[5,5])(C[5]C[5]O)(CC[6a]HO)(COO){2|C<4>,2|H<1>}	O(C[6]C[5]C[6]2)(CC[6a]C[5]H)	111.7100	0.000	1	111.7100	0.000	1	111.7100	0.000	1	111.7100	0.000	1	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	3:2:4:1:	4:1:	C[5]-4:C-3:O-2:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CCC)(OH)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CCC)(OH)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(H){1|Br<1>,1|O<1>}	O(CC[5]CH)(H)	110.7310	0.000	1	110.7310	0.000	1	110.7310	0.000	1	110.7310	0.000	1	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	3:2:4:2:	4:1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5a]-3:O[5]-2:C-4:N[5]-2:	C-4:H-1:	C(C[5]C[5a]N[5]O[5])(C[6a]C[6a]2)(OH)(H)	C[5](C[5a]C[5a]O[5a])(O[5]C[5,5])(CC[6a]HO)(N[5]C[5])	O(CC[6a]C[5]H)(H)	C(C[5]C[5a]N[5]O[5])(C[6a]C[6a]2)(OH)(H)	C[5](C[5a]C[5a]O[5a])(O[5]C[5,5])(CC[6a]HO)(N[5]C[5]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	O(CC[6a]C[5]H)(H)	107.0360	0.000	1	107.0360	0.000	1	107.0360	0.000	1	107.0360	0.000	1	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	3:2:4:4:	4:1:	C[5]-4:C-3:O-2:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:H-1:	C(C[5]C[5]O[5]C)(CNO)(OH)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(CC3)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]C)(CNO)(OH)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(CC3){1|C<4>,1|O<1>}	O(CC[5]CH)(H)	112.8730	0.000	1	112.8730	0.000	1	112.8730	0.000	1	112.8730	0.000	1	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	3:3:3:4:	4:4:	C[5]-4:C-3:O-2:H-1:	C[5,6a]-3:C[5]-3:N-3:C-4:	C-4:S-4:	C(C[5]C[5,6a]C[5]N)(CCO)(OS)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]H)(CCHO)	O(CC[5]CH)(SCOO)	C(C[5]C[5,6a]C[5]N)(CCO)(OS)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]H)(CCHO){1|C<4>,1|H<1>,2|C<3>}	O(CC[5]CH)(SCOO)	105.9190	0.000	1	105.9190	0.000	1	105.9190	0.000	1	105.1657	2.522	3	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	3:3:3:4:	4:4:	C[5]-4:C-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C-4:C-4:	C(C[5]C[5,6a]C[6a]C[5])(CCH)(OC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHO)	O(CC[6a]HH)(CC[5]CH)	C(C[5]C[5,6a]C[6a]C[5])(CCH)(OC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHO){1|C<4>,3|H<1>,4|C<3>}	O(CC[6a]HH)(CC[5]CH)	106.2370	0.000	1	106.2370	0.000	1	106.2370	0.000	1	105.1657	2.522	3	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	3:3:3:4:	4:4:	C[5]-4:C-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	N[6]-4:C-4:	C(C[5]C[5,6a]C[6a]C[5])(CC[6a]O)(ON[6])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHO)	O(N[6]C[6]2H)(CC[5]CH)	C(C[5]C[5,6a]C[6a]C[5])(CC[6a]O)(ON[6])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHO){1|C<4>,3|H<1>,4|C<3>}	O(N[6]C[6]2H)(CC[5]CH)	103.3410	0.000	1	103.3410	0.000	1	103.3410	0.000	1	105.1657	2.522	3	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	3:3:4:1:	4:1:	C[5]-4:C-3:O-2:H-1:	C[5,6a]-3:N[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5,6a]N[5]H)(CCO)(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5,6a]N[5]H)(CCO)(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHO)(H){1|H<1>,1|O<1>,4|C<3>}	O(CC[5]CH)(H)	110.7440	0.013	2	110.7440	0.000	2	110.7440	0.000	2	108.9098	7.677	18	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	3:3:4:1:	4:1:	C[5]-4:C-3:O-2:H-1:	N[5,6]-3:C[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]N[5,6]C[5]H)(CCH)(OH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]N[5,6]C[5]H)(CCH)(OH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(CCHO)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	O(CC[5]CH)(H)	110.8320	0.288	2	111.8037	1.293	6	111.8037	1.293	6	108.9098	7.677	18	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	3:3:4:1:	4:1:	C[5]-4:C-3:O-2:H-1:	N[5,6]-3:C[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]N[5,6]C[5]H)(CCH)(OH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]N[5,6]C[5]H)(CCH)(OH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(CCHO)(H){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	O(CC[5]CH)(H)	112.3370	1.795	2	111.8037	1.293	6	111.8037	1.293	6	108.9098	7.677	18	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	3:3:4:1:	4:1:	C[5]-4:C-3:O-2:H-1:	N[5,6]-3:C[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]N[5,6]C[5]H)(CCH)(OH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]N[5,6]C[5]H)(CCH)(OH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(CCHO)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	O(CC[5]CH)(H)	112.2420	0.566	2	111.8037	1.293	6	111.8037	1.293	6	108.9098	7.677	18	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	3:3:4:1:	4:1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5,6a]-3:C[5]-3:C-4:F-1:	C-4:H-1:	C(C[5]C[5,6a]C[5]F)(C[6a]C[6a]2)(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HO)(F)	O(CC[6a]C[5]H)(H)	C(C[5]C[5,6a]C[5]F)(C[6a]C[6a]2)(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HO)(F){1|C<4>,1|H<1>,2|C<3>}	O(CC[6a]C[5]H)(H)	105.7065	0.572	4	105.7065	0.327	4	105.7065	0.327	4	108.9098	7.677	18	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	3:3:4:1:	4:1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5,6a]-3:N[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]HO)(H)	O(CC[6a]C[5]H)(H)	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]HO)(H){1|H<1>,1|O<1>,2|C<3>}	O(CC[6a]C[5]H)(H)	106.7777	0.892	3	106.7777	0.796	3	106.9362	0.710	5	108.9098	7.677	18	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	3:3:4:1:	4:1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5,6a]-3:N[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]HO)(H)	O(CC[6a]C[5]H)(H)	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]HO)(H){1|O<1>,1|O<2>,2|C<3>}	O(CC[6a]C[5]H)(H)	106.4460	0.000	1	106.4460	0.000	1	106.9362	0.710	5	108.9098	7.677	18	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	3:3:4:1:	4:1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5,6a]-3:N[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CC[6a]HO)(H)	O(CC[6a]C[5]H)(H)	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CC[6a]HO)(H){1|H<1>,2|C<3>,2|O<1>}	O(CC[6a]C[5]H)(H)	107.9020	0.000	1	107.9020	0.000	1	106.9362	0.710	5	108.9098	7.677	18	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	3:3:4:1:	4:1:	C[5]-4:C[6a]-3:O-2:H-1:	N[5]-3:C[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(CC[6a]HO)(H)	O(CC[6a]C[5]H)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(CC[6a]HO)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	O(CC[6a]C[5]H)(H)	110.5600	0.000	1	110.5600	0.000	1	110.5600	0.000	1	108.9098	7.677	18	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	3:3:4:1:	4:4:	C[5]-4:C[6a]-3:O-2:H-1:	N[5,6]-3:C[5]-3:C-4:H-1:	C-4:C-4:	C(C[5]N[5,6]C[5]H)(C[6a]C[6a]2)(OC)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]O)(CC[6a]HO)(H)	O(CC[6a]C[5]H)(CH3)	C(C[5]N[5,6]C[5]H)(C[6a]C[6a]2)(OC)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]O)(CC[6a]HO)(H){2|C<3>,2|H<1>}	O(CC[6a]C[5]H)(CH3)	105.2030	0.000	1	105.2030	0.000	1	105.2030	0.000	1	105.2030	0.000	1	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	3:3:4:2:	4:2:	C[5]-4:C[6a]-3:O-2:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C-4:O-2:	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(OO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HO)(OO)	O(CC[6a]C[5]H)(OC)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(OO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HO)(OO){2|C<3>,2|H<1>}	O(CC[6a]C[5]H)(OC)	102.7020	0.000	1	102.7020	0.000	1	102.7020	0.000	1	102.7020	0.000	1	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	3:3:4:2:	4:4:	C[5]-4:C[6a]-3:O-2:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C-4:P-4:	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(OP)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HO)(OH)	O(CC[6a]C[5]H)(PO3)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(OP)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HO)(OH){1|C<4>,1|H<1>,2|C<3>}	O(CC[6a]C[5]H)(PO3)	105.1290	0.575	4	105.1290	0.330	4	105.1290	0.330	4	105.1290	0.330	4	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	3:3:4:4:	4:1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-3:N[5]-3:C-4:C-4:	C-4:H-1:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]O[5]O)(N[5]C[5]C)(CC[6a]HO)(CH3)	O(CC[6a]C[5]H)(H)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]O[5]O)(N[5]C[5]C)(CC[6a]HO)(CH3){2|C<4>}	O(CC[6a]C[5]H)(H)	109.5088	4.438	5	109.5088	19.699	5	109.5088	19.699	5	109.5088	19.699	5	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	3:4:2:1:	4:1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5,6a]-3:C-4:N[5]-2:H-1:	C-4:H-1:	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]HO)(N[5]S[5])(H)	O(CC[6a]C[5]H)(H)	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]HO)(N[5]S[5])(H){1|H<1>,2|C<3>,2|O<1>}	O(CC[6a]C[5]H)(H)	106.9540	0.000	1	106.9540	0.000	1	106.9540	0.000	1	106.9991	5.007	7	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	3:4:2:1:	4:1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5,6a]-3:C-4:O[5]-2:H-1:	C-4:H-1:	C(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]HO)(O[5]C[5])(H)	O(CC[6a]C[5]H)(H)	C(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]HO)(O[5]C[5])(H){1|H<1>,2|C<3>,2|C<4>}	O(CC[6a]C[5]H)(H)	104.3650	0.141	2	104.3650	0.020	2	104.3650	0.020	2	106.9991	5.007	7	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	3:4:2:1:	4:1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-3:C-4:O[5]-2:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]C[5]H)(CC[6a]HO)(O[5]C[5])(H)	O(CC[6a]C[5]H)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]C[5]H)(CC[6a]HO)(O[5]C[5])(H){1|H<1>,1|O<1>}	O(CC[6a]C[5]H)(H)	109.7230	1.030	2	109.7230	1.060	2	108.6780	3.806	3	106.9991	5.007	7	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	3:4:2:1:	4:1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-3:C-4:O[5]-2:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]O[5]C)(CC[6a]HO)(O[5]C[5])(H)	O(CC[6a]C[5]H)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]O[5]C)(CC[6a]HO)(O[5]C[5])(H){1|O<1>}	O(CC[6a]C[5]H)(H)	106.5880	0.000	1	106.5880	0.000	1	108.6780	3.806	3	106.9991	5.007	7	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	3:4:2:1:	4:1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-3:C-4:S[5]-2:H-1:	C-4:H-1:	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]N[5]O)(CC[6a]HO)(S[5]C[5])(H)	O(CC[6a]C[5]H)(H)	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]N[5]O)(CC[6a]HO)(S[5]C[5])(H){1|C<4>,1|O<1>}	O(CC[6a]C[5]H)(H)	107.2760	0.000	1	107.2760	0.000	1	107.2760	0.000	1	106.9991	5.007	7	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	3:4:4:1:	4:1:	C[5]-4:C-3:O-2:H-1:	N[5,6]-3:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]N[5,6]C[5]H)(COO)(OH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]N[5,6]C[5]H)(COO)(OH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCHO)(H){1|O<2>,2|C<4>,4|H<1>}	O(CC[5]CH)(H)	112.0360	0.000	1	112.0360	0.000	1	112.0360	0.000	1	109.6160	11.713	2	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	3:4:4:1:	4:1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5,6]-3:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(CC[6a]HO)(H)	O(CC[6a]C[5]H)(H)	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(CC[6a]HO)(H){1|C<3>,1|C<4>,2|H<1>}	O(CC[6a]C[5]H)(H)	107.1960	0.000	1	107.1960	0.000	1	107.1960	0.000	1	109.6160	11.713	2	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	3:4:4:2:	4:4:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-3:C-4:C-4:N[5]-2:	C-4:C-4:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(OC)(H)	C[5](C[5]N[5]O)(CC[6a]HH)(CC[6a]HO)(N[5]C[5])	O(CC[6a]C[5]H)(CH3)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(OC)(H)	C[5](C[5]N[5]O)(CC[6a]HH)(CC[6a]HO)(N[5]C[5]){1|C<4>,1|N<3>}	O(CC[6a]C[5]H)(CH3)	105.8740	0.000	1	105.8740	0.000	1	105.8740	0.000	1	105.8740	0.000	1	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	3:4:4:4:	4:1:	C[5]-4:C[6a]-3:O-2:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:H-1:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(OH)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]HN)(CC[6a]HO)	O(CC[6a]C[5]H)(H)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(OH)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]HN)(CC[6a]HO){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	O(CC[6a]C[5]H)(H)	111.9960	0.000	1	111.9960	0.000	1	111.9960	0.000	1	111.9960	0.000	1	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	4:2:4:1:	4:1:	C[5]-4:C-3:O-2:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5,5]O[5]H)(CNO)(OH)(H)	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5,5]O[5]H)(CNO)(OH)(H)	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(CCHO)(H){1|O<2>,2|C<4>,2|H<1>}	O(CC[5]CH)(H)	108.0310	0.000	1	108.0310	0.000	1	108.0310	0.000	1	110.6288	4.519	24	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	4:2:4:1:	4:1:	C[5]-4:C-3:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CCC)(OH)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CCC)(OH)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){2|H<1>,2|O<2>}	O(CC[5]CH)(H)	112.1300	0.000	1	112.1300	0.000	1	110.9011	4.528	21	110.6288	4.519	24	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	4:2:4:1:	4:1:	C[5]-4:C-3:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CCH)(OH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CCH)(OH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>,2|H<1>}	O(CC[5]CH)(H)	113.2570	0.000	1	113.2570	0.000	1	110.9011	4.528	21	110.6288	4.519	24	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	4:2:4:1:	4:1:	C[5]-4:C-3:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CCH)(OH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CCH)(OH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>}	O(CC[5]CH)(H)	108.1954	1.912	5	108.1954	3.654	5	110.9011	4.528	21	110.6288	4.519	24	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	4:2:4:1:	4:1:	C[5]-4:C-3:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CCH)(OH)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CCH)(OH)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,1|N<3>}	O(CC[5]CH)(H)	108.2460	0.000	1	108.2460	0.000	1	110.9011	4.528	21	110.6288	4.519	24	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	4:2:4:1:	4:1:	C[5]-4:C-3:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CC[6a]O)(OH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CC[6a]O)(OH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,3|H<1>}	O(CC[5]CH)(H)	111.7335	0.778	6	111.7335	0.605	6	110.9011	4.528	21	110.6288	4.519	24	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	4:2:4:1:	4:1:	C[5]-4:C-3:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CN[5]O)(OH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CN[5]O)(OH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,3|H<1>}	O(CC[5]CH)(H)	113.1610	0.000	1	113.1610	0.000	1	110.9011	4.528	21	110.6288	4.519	24	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	4:2:4:1:	4:1:	C[5]-4:C-3:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(COO)(OH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(COO)(OH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,3|H<1>}	O(CC[5]CH)(H)	111.5177	1.844	3	111.5177	3.400	3	110.9011	4.528	21	110.6288	4.519	24	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	4:2:4:1:	4:1:	C[5]-4:C-3:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(COO)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(COO)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H){2|H<1>,2|O<2>}	O(CC[5]CH)(H)	112.0660	0.680	3	112.0660	0.462	3	110.9011	4.528	21	110.6288	4.519	24	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	4:2:4:1:	4:1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CC[6a]HO)(H)	O(CC[6a]C[5]H)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CC[6a]HO)(H){2|H<1>,2|O<2>}	O(CC[6a]C[5]H)(H)	109.0690	0.453	2	109.0690	0.205	2	109.0690	0.205	2	110.6288	4.519	24	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	4:2:4:1:	4:4:	C[5]-4:C-3:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:C-4:	C(C[5]C[5]O[5]H)(CCH)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H)	O(CC[6a]HH)(CC[5]CH)	C(C[5]C[5]O[5]H)(CCH)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H){1|C<4>,1|O<2>,2|H<1>}	O(CC[6a]HH)(CC[5]CH)	102.9870	0.000	1	102.9870	0.000	1	102.9870	0.000	1	105.6787	6.248	4	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	4:2:4:1:	4:4:	C[5]-4:C-3:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:S-4:	C(C[5]C[5]O[5]H)(CN[5]O)(OS)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(SCOO)	C(C[5]C[5]O[5]H)(CN[5]O)(OS)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>}	O(CC[5]CH)(SCOO)	108.9470	0.000	1	108.9470	0.000	1	108.9470	0.000	1	105.6787	6.248	4	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	4:2:4:1:	4:4:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CC[6a]HO)(H)	O(CC[6a]C[5]H)(CH3)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CC[6a]HO)(H){1|C<4>,1|O<2>,2|H<1>}	O(CC[6a]C[5]H)(CH3)	105.3905	0.807	2	105.3905	0.651	2	105.3905	0.651	2	105.6787	6.248	4	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	4:2:4:4:	4:1:	C[5]-4:C-3:O-2:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:H-1:	C(C[5]C[5]O[5]C)(COO)(OH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(CH3)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]C)(COO)(OH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(CH3){1|C<4>,3|H<1>}	O(CC[5]CH)(H)	111.0217	0.170	3	111.0217	0.029	3	111.0217	0.029	3	111.0217	0.029	3	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	4:3:4:1:	4:1:	C[5]-4:C-3:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(CC[6]C)(OH)(H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]N[5]H)(CC[6]C)(OH)(H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCHO)(H){2|C<4>}	O(CC[5]CH)(H)	110.6660	0.000	1	110.6660	0.000	1	111.3890	1.045	2	108.3264	7.486	19	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	4:3:4:1:	4:1:	C[5]-4:C-3:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(CC[6a]C)(OH)(H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]N[5]H)(CC[6a]C)(OH)(H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCHO)(H){2|C<4>}	O(CC[5]CH)(H)	112.1120	0.000	1	112.1120	0.000	1	111.3890	1.045	2	108.3264	7.486	19	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	4:3:4:1:	4:1:	C[5]-4:C[6]-3:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(C[6]C[6]S[6])(OH)(H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6]HO)(H)	O(CC[5]C[6]H)(H)	C(C[5]C[5]N[5]H)(C[6]C[6]S[6])(OH)(H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6]HO)(H){2|C<4>}	O(CC[5]C[6]H)(H)	105.4270	0.000	1	105.4270	0.000	1	105.4270	0.000	1	108.3264	7.486	19	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	4:3:4:1:	4:1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HO)(H)	O(CC[6a]C[5]H)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HO)(H){1|O<1>,2|H<1>}	O(CC[6a]C[5]H)(H)	106.3710	0.000	1	107.0145	0.828	2	108.1248	7.059	16	108.3264	7.486	19	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	4:3:4:1:	4:1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HO)(H)	O(CC[6a]C[5]H)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HO)(H){4|H<1>}	O(CC[6a]C[5]H)(H)	107.6580	0.000	1	107.0145	0.828	2	108.1248	7.059	16	108.3264	7.486	19	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	4:3:4:1:	4:1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]HO)(H)	O(CC[6a]C[5]H)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]HO)(H){1|O<1>,2|H<1>}	O(CC[6a]C[5]H)(H)	109.2720	3.048	2	109.2720	9.288	2	108.1248	7.059	16	108.3264	7.486	19	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	4:3:4:1:	4:1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CC[6a]HO)(H)	O(CC[6a]C[5]H)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CC[6a]HO)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	O(CC[6a]C[5]H)(H)	110.6320	1.759	5	110.6320	3.095	5	108.1248	7.059	16	108.3264	7.486	19	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	4:3:4:1:	4:1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CC[6a]HO)(H)	O(CC[6a]C[5]H)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CC[6a]HO)(H){1|O<1>,2|C<3>,2|H<1>}	O(CC[6a]C[5]H)(H)	106.5780	0.000	1	106.5780	0.000	1	108.1248	7.059	16	108.3264	7.486	19	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	4:3:4:1:	4:1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(CC[6a]HO)(H)	O(CC[6a]C[5]H)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(CC[6a]HO)(H){1|O<1>,2|C<3>,2|H<1>}	O(CC[6a]C[5]H)(H)	104.4540	0.000	1	104.4540	0.000	1	108.1248	7.059	16	108.3264	7.486	19	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	4:3:4:1:	4:1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(CC[6a]HO)(H)	O(CC[6a]C[5]H)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(CC[6a]HO)(H){1|C<4>,1|O<1>}	O(CC[6a]C[5]H)(H)	109.7730	0.000	1	109.7730	0.000	1	108.1248	7.059	16	108.3264	7.486	19	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	4:3:4:1:	4:1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HO)(H)	O(CC[6a]C[5]H)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HO)(H){1|O<1>}	O(CC[6a]C[5]H)(H)	108.1940	0.000	1	108.1940	0.000	1	108.1248	7.059	16	108.3264	7.486	19	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	4:3:4:1:	4:1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]O[5]HH)(N[5]C[5]H)(CC[6a]HO)(H)	O(CC[6a]C[5]H)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]O[5]HH)(N[5]C[5]H)(CC[6a]HO)(H){1|O<1>}	O(CC[6a]C[5]H)(H)	105.0880	0.553	3	105.0880	0.305	3	108.1248	7.059	16	108.3264	7.486	19	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	4:3:4:1:	4:4:	C[5]-4:C-3:O-2:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C-4:C-4:	C(C[5]C[5,5]C[5]H)(CCH)(OC)(H)	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[5]C)(CCHO)(H)	O(CC[5]CH)(CH3)	C(C[5]C[5,5]C[5]H)(CCH)(OC)(H)	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[5]C)(CCHO)(H){1|O<2>,3|C<4>,3|H<1>}	O(CC[5]CH)(CH3)	105.4560	0.000	1	105.4560	0.000	1	105.4560	0.000	1	106.1028	0.881	8	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	4:3:4:1:	4:4:	C[5]-4:C-3:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:C-4:	C(C[5]C[5]N[5]H)(CCH)(OC)(H)	C[5](C[5]O[5]HH)(N[5]C[5]S)(CCHO)(H)	O(CC[5]CH)(CH3)	C(C[5]C[5]N[5]H)(CCH)(OC)(H)	C[5](C[5]O[5]HH)(N[5]C[5]S)(CCHO)(H){1|O<1>}	O(CC[5]CH)(CH3)	106.3830	0.412	2	106.3830	0.169	2	106.6323	0.271	3	106.1028	0.881	8	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	4:3:4:1:	4:4:	C[5]-4:C-3:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:C-4:	C(C[5]C[5]N[5]H)(CC[6a]C)(OC)(H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCHO)(H)	O(CC[6a]HH)(CC[5]CH)	C(C[5]C[5]N[5]H)(CC[6a]C)(OC)(H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCHO)(H){2|C<4>}	O(CC[6a]HH)(CC[5]CH)	107.1310	0.000	1	107.1310	0.000	1	106.6323	0.271	3	106.1028	0.881	8	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	4:3:4:1:	4:4:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OC)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC[6a]HO)(H)	O(CC[6a]C[5]H)(CCHH)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OC)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC[6a]HO)(H){4|H<1>}	O(CC[6a]C[5]H)(CCHH)	104.8100	0.000	1	104.8100	0.000	1	105.8672	1.380	4	106.1028	0.881	8	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	4:3:4:1:	4:4:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OC)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CC[6a]HO)(H)	O(CC[6a]C[5]H)(CH3)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OC)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CC[6a]HO)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	O(CC[6a]C[5]H)(CH3)	106.7740	0.898	2	106.7740	0.806	2	105.8672	1.380	4	106.1028	0.881	8	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	4:3:4:1:	4:4:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OC)(H)	C[5](C[5]O[5]HH)(N[5]C[5]H)(CC[6a]HO)(H)	O(CC[6a]C[5]H)(CH3)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OC)(H)	C[5](C[5]O[5]HH)(N[5]C[5]H)(CC[6a]HO)(H){1|O<1>}	O(CC[6a]C[5]H)(CH3)	105.1110	0.000	1	105.1110	0.000	1	105.8672	1.380	4	106.1028	0.881	8	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	4:3:4:2:	4:1:	C[5]-4:C-3:O-2:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C-4:H-1:	C(C[5]C[5]2O)(COO)(OH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHO)(OH)	O(CC[5]CH)(H)	C(C[5]C[5]2O)(COO)(OH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHO)(OH){1|C<4>,1|O<1>}	O(CC[5]CH)(H)	108.3875	1.643	2	108.3875	2.698	2	108.3875	2.698	2	108.3875	2.698	2	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	4:3:4:4:	4:1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:H-1:	C(C[5]C[5]2C)(C[5]C[5]2)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]HO)(CH3)	O(CC[5]2H)(H)	C(C[5]C[5]2C)(C[5]C[5]2)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]HO)(CH3){1|C<4>,2|H<1>}	O(CC[5]2H)(H)	111.3760	0.000	1	111.3760	0.000	1	111.3760	0.000	1	108.9165	12.098	2	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	4:3:4:4:	4:1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:H-1:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]HO)(CH3)	O(CC[6a]C[5]H)(H)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]HO)(CH3){1|O<1>,2|H<1>}	O(CC[6a]C[5]H)(H)	106.4570	0.000	1	106.4570	0.000	1	106.4570	0.000	1	108.9165	12.098	2	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	4:4:2:1:	4:1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:C-4:N[5]-2:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]N[5]CH)(CC[6a]HO)(N[5]C[5])(H)	O(CC[6a]C[5]H)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]N[5]CH)(CC[6a]HO)(N[5]C[5])(H){2|C<3>}	O(CC[6a]C[5]H)(H)	109.1000	0.000	1	109.1000	0.000	1	109.1000	0.000	1	109.8929	9.825	7	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	4:4:2:1:	4:1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:C-4:O[5]-2:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]C[5]CH)(CC[6a]HO)(O[5]C[5])(H)	O(CC[6a]C[5]H)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]C[5]CH)(CC[6a]HO)(O[5]C[5])(H){1|O<1>,2|H<1>}	O(CC[6a]C[5]H)(H)	106.7025	0.701	2	106.7025	0.491	2	110.0250	11.643	6	109.8929	9.825	7	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	4:4:2:1:	4:1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:C-4:O[5]-2:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]C[6a]C[5]H)(CC[6a]HO)(O[5]C[5])(H)	O(CC[6a]C[5]H)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]C[6a]C[5]H)(CC[6a]HO)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>}	O(CC[6a]C[5]H)(H)	112.9970	4.162	2	112.9970	17.322	2	110.0250	11.643	6	109.8929	9.825	7	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	4:4:2:1:	4:1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:C-4:O[5]-2:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]N[5]HH)(CC[6a]HO)(O[5]C[5])(H)	O(CC[6a]C[5]H)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]N[5]HH)(CC[6a]HO)(O[5]C[5])(H){1|C<3>,1|O<1>}	O(CC[6a]C[5]H)(H)	110.8290	0.000	1	110.8290	0.000	1	110.0250	11.643	6	109.8929	9.825	7	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	4:4:2:1:	4:1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:C-4:O[5]-2:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]O[5]HH)(CC[6a]HO)(O[5]C[5])(H)	O(CC[6a]C[5]H)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]O[5]HH)(CC[6a]HO)(O[5]C[5])(H){1|O<1>}	O(CC[6a]C[5]H)(H)	109.9220	0.000	1	109.9220	0.000	1	110.0250	11.643	6	109.8929	9.825	7	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	4:4:2:4:	4:1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:C-4:O[5]-2:C-4:	C-4:H-1:	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]C[5]HO)(CC[6a]HO)(O[5]C[5])(CH3)	O(CC[6a]C[5]H)(H)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]C[5]HO)(CC[6a]HO)(O[5]C[5])(CH3){1|C<3>,1|H<1>,1|O<1>}	O(CC[6a]C[5]H)(H)	106.2130	0.000	1	106.2130	0.000	1	106.2130	0.000	1	106.2130	0.000	1	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	4:4:4:1:	4:1:	C[5]-4:C-3:O-2:H-1:	C[5,5]-4:N[5,5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5,5]N[5,5]H)(COO)(OH)(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5]C)(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5,5]N[5,5]H)(COO)(OH)(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5]C)(CCHO)(H){1|O<2>,3|C<4>,4|H<1>}	O(CC[5]CH)(H)	111.4010	0.000	1	111.4010	0.000	1	111.8615	0.424	2	110.9728	6.219	10	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	4:4:4:1:	4:1:	C[5]-4:C-3:O-2:H-1:	C[5,5]-4:N[5,5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5,5]N[5,5]H)(COO)(OH)(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5]H)(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5,5]N[5,5]H)(COO)(OH)(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5]H)(CCHO)(H){1|O<2>,3|C<4>,4|H<1>}	O(CC[5]CH)(H)	112.3220	0.000	1	112.3220	0.000	1	111.8615	0.424	2	110.9728	6.219	10	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	4:4:4:1:	4:1:	C[5]-4:C-3:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5,6]C[5]H)(COO)(OH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C[6]C)(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5,6]C[5]H)(COO)(OH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C[6]C)(CCHO)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	O(CC[5]CH)(H)	113.8520	0.163	2	113.8520	0.026	2	112.5610	5.013	3	110.9728	6.219	10	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	4:4:4:1:	4:1:	C[5]-4:C-3:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5,6]C[5]H)(COO)(OH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5,6]C[5]H)(COO)(OH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHO)(H){2|C<4>,5|H<1>}	O(CC[5]CH)(H)	109.9790	0.000	1	109.9790	0.000	1	112.5610	5.013	3	110.9728	6.219	10	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	4:4:4:1:	4:1:	C[5]-4:C-3:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(CCC)(OH)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]2H)(CCC)(OH)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCHO)(H){1|C<4>,3|H<1>}	O(CC[5]CH)(H)	110.8227	0.572	4	110.8227	0.327	4	109.6644	6.954	5	110.9728	6.219	10	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	4:4:4:1:	4:1:	C[5]-4:C-3:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(CCH)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]2H)(CCH)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHO)(H){1|O<2>,3|H<1>}	O(CC[5]CH)(H)	105.0310	0.000	1	105.0310	0.000	1	109.6644	6.954	5	110.9728	6.219	10	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	4:4:4:1:	4:4:	C[5]-4:C-3:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:C-4:	C(C[5]C[5]2H)(CCH)(OC)(H)	C[5](C[5]C[3,5]N[5a]H)(C[5]C[3,5]HH)(CCHO)(H)	O(CC[5]CH)(CCHH)	C(C[5]C[5]2H)(CCH)(OC)(H)	C[5](C[5]C[3,5]N[5a]H)(C[5]C[3,5]HH)(CCHO)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	O(CC[5]CH)(CCHH)	110.5580	0.000	1	110.5580	0.000	1	110.5580	0.000	1	108.5930	3.225	3	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	4:4:4:1:	4:4:	C[5]-4:C-3:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:Si-4:	C(C[5]C[5]2H)(COO)(OSi)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCHO)(H)	O(CC[5]CH)(SiC3)	C(C[5]C[5]2H)(COO)(OSi)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCHO)(H){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	O(CC[5]CH)(SiC3)	108.1840	0.000	1	108.1840	0.000	1	108.1840	0.000	1	108.5930	3.225	3	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	4:4:4:1:	4:4:	C[5]-4:C[6a]-3:O-2:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:C-4:	C(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(OC)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CC)(CC[6a]HO)(H)	O(CC[6a]C[5]H)(CH3)	C(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(OC)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CC)(CC[6a]HO)(H){1|C<4>,1|O<2>,1|S<4>,3|H<1>}	O(CC[6a]C[5]H)(CH3)	107.0370	0.000	1	107.0370	0.000	1	107.0370	0.000	1	108.5930	3.225	3	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	4:4:4:2:	4:1:	C[5]-4:C-3:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:H-1:	C(C[5]C[5]2O)(CCC)(OH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(CCHO)(OH)	O(CC[5]CH)(H)	C(C[5]C[5]2O)(CCC)(OH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(CCHO)(OH){1|C<4>,1|H<1>}	O(CC[5]CH)(H)	106.7195	0.136	2	106.7195	0.019	2	106.7195	0.019	2	107.1944	2.918	5	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	4:4:4:2:	4:1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5,5]-4:C[5]-4:C-4:C-2:	C-4:H-1:	C(C[5]C[5,5]C[5]C)(C[6a]C[6a]2)(OH)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(CC[6a]HO)(CN)	O(CC[6a]C[5]H)(H)	C(C[5]C[5,5]C[5]C)(C[6a]C[6a]2)(OH)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(CC[6a]HO)(CN){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	O(CC[6a]C[5]H)(H)	104.8220	0.000	1	104.8220	0.000	1	104.8220	0.000	1	107.1944	2.918	5	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:1:	4:4:4:2:	4:1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C-4:H-1:	C(C[5]C[5,6]C[5]O)(C[6a]C[6a]2)(OH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CC[6a]HO)(OH)	O(CC[6a]C[5]H)(H)	C(C[5]C[5,6]C[5]O)(C[6a]C[6a]2)(OH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CC[6a]HO)(OH){1|C<3>,1|C<4>,3|H<1>}	O(CC[6a]C[5]H)(H)	108.8555	0.235	2	108.8555	0.055	2	108.8555	0.055	2	107.1944	2.918	5	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:2:2:	4:2:4:1:	4:1:	C[5]-4:C-3:O-2:O-2:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(COO)(OH)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCOO)(H)	O(CC[5]CO)(H)	C(C[5]C[5]O[5]H)(COO)(OH)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCOO)(H){1|O<1>,2|H<1>}	O(CC[5]CO)(H)	109.2780	2.278	2	109.2780	5.191	2	109.2780	5.191	2	109.2780	5.191	2	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:3:2:	3:3:4:1:	4:1:	C[5]-4:C[6a]-3:C-3:O-2:	C[5,6a]-3:C[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(COO)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CO)(H)	O(CC[6a]C[5]C)(H)	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(COO)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CO)(H){1|C<4>,1|H<1>,2|C<3>}	O(CC[6a]C[5]C)(H)	106.5125	0.708	2	106.5125	0.501	2	106.5125	0.501	2	106.5125	0.501	2	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:3:2:	3:3:4:2:	4:4:	C[5]-4:C[6a]-3:C-3:O-2:	C[5,6a]-3:C[5]-3:C-4:O-2:	C-4:C-4:	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(COO)(OC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CO)(OH)	O(CC[6a]C[5]C)(CC[6a]HH)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(COO)(OC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CO)(OH){2|C<3>,2|H<1>}	O(CC[6a]C[5]C)(CC[6a]HH)	102.3940	0.000	1	102.3940	0.000	1	102.3940	0.000	1	102.3940	0.000	1	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:3:2:	3:3:4:3:	4:4:	C[5]-4:C[6a]-3:C-3:O-2:	C[5,6a]-3:C[5]-3:C-4:N-3:	C-4:C-4:	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(COO)(OC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CO)(NCH)	O(CC[6a]C[5]C)(CCHH)	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(COO)(OC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CO)(NCH){1|C<4>,1|H<1>,2|C<3>}	O(CC[6a]C[5]C)(CCHH)	103.0120	0.066	2	103.0120	0.004	2	103.1912	0.034	5	103.1912	0.034	5	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:3:2:	3:3:4:3:	4:4:	C[5]-4:C[6a]-3:C-3:O-2:	C[5,6a]-3:C[5]-3:C-4:N-3:	C-4:C-4:	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(COO)(OC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CO)(NCH)	O(CC[6a]C[5]C)(CC[6a]HH)	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(COO)(OC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CO)(NCH){1|C<4>,1|H<1>,2|C<3>}	O(CC[6a]C[5]C)(CC[6a]HH)	103.2675	0.112	2	103.2675	0.013	2	103.1912	0.034	5	103.1912	0.034	5	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:3:2:	3:3:4:3:	4:4:	C[5]-4:C[6a]-3:C-3:O-2:	C[5,6a]-3:C[5]-3:C-4:N-3:	C-4:C-4:	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(COO)(OC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CO)(NCH)	O(CC[6a]C[5]C)(CH3)	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(COO)(OC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CO)(NCH){1|C<4>,1|H<1>,2|C<3>}	O(CC[6a]C[5]C)(CH3)	103.3970	0.000	1	103.3970	0.000	1	103.1912	0.034	5	103.1912	0.034	5	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:3:2:	3:4:2:1:	4:1:	C[5]-4:C[6a]-3:C-3:O-2:	C[5]-3:C-4:O[5]-2:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(COO)(OH)	C[5](C[5]C[5]H)(CC[6a]CO)(O[5]C[5])(H)	O(CC[6a]C[5]C)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(COO)(OH)	C[5](C[5]C[5]H)(CC[6a]CO)(O[5]C[5])(H){1|H<1>,1|O<1>}	O(CC[6a]C[5]C)(H)	109.7100	1.554	8	109.7100	2.416	8	109.7100	2.416	8	109.7100	2.416	8	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:3:2:	3:4:4:1:	4:4:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	N[5,5]-3:C[5]-4:C-4:H-1:	C-4:Si-4:	C(C[5]N[5,5]C[5]H)(C[6a]C[6a]2)2(OSi)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CC[6a]2O)(H)	O(CC[6a]2C[5])(SiC3)	C(C[5]N[5,5]C[5]H)(C[6a]C[6a]2)2(OSi)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CC[6a]2O)(H){1|Se<1>,1|N<2>,1|N<3>,2|H<1>}	O(CC[6a]2C[5])(SiC3)	102.5070	0.000	1	102.5070	0.000	1	102.5070	0.000	1	103.8667	1.726	4	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:3:2:	3:4:4:1:	4:4:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	N[5]-3:C[5]-4:C-4:H-1:	C-4:S-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OS)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(CC[6a]2O)(H)	O(CC[6a]2C[5])(SC3)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OS)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(CC[6a]2O)(H){1|C<4>,1|O<2>,5|H<1>}	O(CC[6a]2C[5])(SC3)	104.3310	0.000	1	104.3310	0.000	1	104.3310	0.000	1	103.8667	1.726	4	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:3:2:	3:4:4:1:	4:4:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	N[5]-3:C[5]-4:C-4:H-1:	C-4:Si-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OSi)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(CC[6a]2O)(H)	O(CC[6a]2C[5])(SiC3)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OSi)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(CC[6a]2O)(H){1|C<3>,1|C<4>,5|H<1>}	O(CC[6a]2C[5])(SiC3)	104.3145	1.647	2	104.3145	2.712	2	104.3145	2.712	2	103.8667	1.726	4	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:3:2:	4:2:4:1:	4:1:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OH)	C[5](C[5]O[5]CH)(O[5]C[5,5])(CC[6a]2O)(H)	O(CC[6a]2C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OH)	C[5](C[5]O[5]CH)(O[5]C[5,5])(CC[6a]2O)(H){2|C<4>}	O(CC[6a]2C[5])(H)	105.7821	2.176	14	105.7821	4.735	14	105.8708	5.994	48	105.8708	5.994	48	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:3:2:	4:2:4:1:	4:1:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OH)	C[5](C[5]O[5]CH)(O[5]C[5,6])(CC[6a]2O)(H)	O(CC[6a]2C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OH)	C[5](C[5]O[5]CH)(O[5]C[5,6])(CC[6a]2O)(H){2|C<4>}	O(CC[6a]2C[5])(H)	105.9073	2.582	34	105.9073	6.666	34	105.8708	5.994	48	105.8708	5.994	48	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:3:2:	4:3:4:1:	4:1:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C[5]-4:N[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OH)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]H)(CC[6a]2O)(H)	O(CC[6a]2C[5])(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OH)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]H)(CC[6a]2O)(H){2|C<4>,2|H<1>}	O(CC[6a]2C[5])(H)	105.9235	0.144	2	105.9235	0.021	2	107.4712	2.859	14	107.4712	2.859	14	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:3:2:	4:3:4:1:	4:1:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C[5]-4:N[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OH)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(CC[6a]2O)(H)	O(CC[6a]2C[5])(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OH)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(CC[6a]2O)(H){2|C<3>}	O(CC[6a]2C[5])(H)	104.4730	0.000	1	104.4730	0.000	1	107.4712	2.859	14	107.4712	2.859	14	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:3:2:	4:3:4:1:	4:1:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C[5]-4:N[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OH)	C[5](C[5]C[5]CC)(N[5]C[5]H)(CC[6a]2O)(H)	O(CC[6a]2C[5])(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OH)	C[5](C[5]C[5]CC)(N[5]C[5]H)(CC[6a]2O)(H){1|C<3>,2|H<1>}	O(CC[6a]2C[5])(H)	107.9100	0.000	1	107.9100	0.000	1	107.4712	2.859	14	107.4712	2.859	14	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:3:2:	4:3:4:1:	4:1:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C[5]-4:N[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]2O)(H)	O(CC[6a]2C[5])(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]2O)(H){4|H<1>}	O(CC[6a]2C[5])(H)	107.7269	1.509	8	107.7269	2.277	8	107.4712	2.859	14	107.4712	2.859	14	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:3:2:	4:3:4:1:	4:1:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C[5]-4:N[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OH)	C[5](C[5]C[5]HH)(N[5]C[5]P)(CC[6a]2O)(H)	O(CC[6a]2C[5])(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OH)	C[5](C[5]C[5]HH)(N[5]C[5]P)(CC[6a]2O)(H){4|H<1>}	O(CC[6a]2C[5])(H)	108.9580	0.000	1	108.9580	0.000	1	107.4712	2.859	14	107.4712	2.859	14	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:3:2:	4:3:4:1:	4:1:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C[5]-4:N[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OH)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]2O)(H)	O(CC[6a]2C[5])(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OH)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]2O)(H){2|C<4>}	O(CC[6a]2C[5])(H)	109.5940	0.000	1	109.5940	0.000	1	107.4712	2.859	14	107.4712	2.859	14	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:3:2:	4:3:4:1:	4:4:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C[5]-4:N[5]-3:C-4:H-1:	C-4:C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OC)	C[5](C[5]C[5]HH)(N[5]C[5]N)(CC[6a]2O)(H)	O(CC[6a]2C[5])(CH3)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OC)	C[5](C[5]C[5]HH)(N[5]C[5]N)(CC[6a]2O)(H){4|H<1>}	O(CC[6a]2C[5])(CH3)	101.6070	0.000	1	101.6070	0.000	1	101.6070	0.000	1	105.6583	12.358	3	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:3:2:	4:3:4:1:	4:4:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C[5]-4:N[5]-3:C-4:H-1:	C-4:Si-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OSi)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]2O)(H)	O(CC[6a]2C[5])(SiC3)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OSi)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]2O)(H){2|F<1>,2|H<1>}	O(CC[6a]2C[5])(SiC3)	107.6840	0.311	2	107.6840	0.097	2	107.6840	0.097	2	105.6583	12.358	3	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:3:2:	4:4:2:1:	4:1:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C[5,5]-4:C-4:O[5]-2:H-1:	C-4:H-1:	C(C[5]C[5,5]O[5]H)(C[6a]C[6a]2)2(OH)	C[5](C[5,5]C[5,5]O[5]H)(CC[6a]2O)(O[5]C[5])(H)	O(CC[6a]2C[5])(H)	C(C[5]C[5,5]O[5]H)(C[6a]C[6a]2)2(OH)	C[5](C[5,5]C[5,5]O[5]H)(CC[6a]2O)(O[5]C[5])(H){1|C<4>,2|H<1>,2|O<2>}	O(CC[6a]2C[5])(H)	110.3480	0.000	1	110.3480	0.000	1	110.3480	0.000	1	105.4827	8.345	32	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:3:2:	4:4:2:1:	4:1:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C[5]-4:C-4:O[5]-2:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OH)	C[5](C[5]C[5,5]HH)(CC[6a]2O)(O[5]N[5])(H)	O(CC[6a]2C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OH)	C[5](C[5]C[5,5]HH)(CC[6a]2O)(O[5]N[5])(H){1|C<3>,2|C<4>}	O(CC[6a]2C[5])(H)	109.1250	0.000	1	109.1250	0.000	1	105.1716	7.316	30	105.4827	8.345	32	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:3:2:	4:4:2:1:	4:1:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C[5]-4:C-4:O[5]-2:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OH)	C[5](C[5]C[5]HH)(CC[6a]2O)(O[5]C[5])(H)	O(CC[6a]2C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OH)	C[5](C[5]C[5]HH)(CC[6a]2O)(O[5]C[5])(H){1|C<4>,3|H<1>}	O(CC[6a]2C[5])(H)	103.7670	2.619	9	103.7670	6.861	9	105.1716	7.316	30	105.4827	8.345	32	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:3:2:	4:4:2:1:	4:1:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C[5]-4:C-4:O[5]-2:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OH)	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]C[5])(H)	O(CC[6a]2C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OH)	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]C[5])(H){2|C<4>}	O(CC[6a]2C[5])(H)	105.6060	2.514	20	105.6060	6.322	20	105.1716	7.316	30	105.4827	8.345	32	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:3:2:	4:4:2:1:	4:1:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C[5]-4:C-4:S[5]-2:H-1:	C-4:H-1:	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)2(OH)	C[5](C[5]C[5]HH)(CC[6a]2O)(S[5]C[5])(H)	O(CC[6a]2C[5])(H)	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)2(OH)	C[5](C[5]C[5]HH)(CC[6a]2O)(S[5]C[5])(H){4|H<1>}	O(CC[6a]2C[5])(H)	109.9500	0.000	1	109.9500	0.000	1	109.9500	0.000	1	105.4827	8.345	32	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:3:2:	4:4:2:1:	4:3:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C[5]-4:C-4:O[5]-2:H-1:	C-4:P-3:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OP)	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]C[5])(H)	O(CC[6a]2C[5])(PNO)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OP)	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]C[5])(H){2|C<4>}	O(CC[6a]2C[5])(PNO)	106.4660	1.253	6	106.4660	1.570	6	106.4881	1.147	8	106.4881	1.147	8	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:3:2:	4:4:2:1:	4:3:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C[5]-4:C-4:O[5]-2:H-1:	C-4:P-3:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OP)	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]C[5])(H)	O(CC[6a]2C[5])(POO)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OP)	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]C[5])(H){2|C<4>}	O(CC[6a]2C[5])(POO)	106.5545	0.411	2	106.5545	0.169	2	106.4881	1.147	8	106.4881	1.147	8	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:3:2:	4:4:2:1:	4:4:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C[5]-4:C-4:O[5]-2:H-1:	C-4:C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OC)	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]B[5])(H)	O(CC[6a]2C[5])(CH3)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OC)	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]B[5])(H){1|C<4>}	O(CC[6a]2C[5])(CH3)	106.5860	0.746	6	106.5860	0.557	6	106.5860	0.557	6	106.7252	1.506	33	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:3:2:	4:4:2:1:	4:4:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C[5]-4:C-4:O[5]-2:H-1:	C-4:P-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OP)	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]C[5])(H)	O(CC[6a]2C[5])(PC[6a]PtO)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OP)	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]C[5])(H){2|C<4>}	O(CC[6a]2C[5])(PC[6a]PtO)	106.0445	1.327	8	106.0445	1.761	8	106.7562	1.741	27	106.7252	1.506	33	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:3:2:	4:4:2:1:	4:4:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C[5]-4:C-4:O[5]-2:H-1:	C-4:P-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OP)	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]C[5])(H)	O(CC[6a]2C[5])(PFeNO)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OP)	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]C[5])(H){2|C<4>}	O(CC[6a]2C[5])(PFeNO)	106.8935	2.017	2	106.8935	4.070	2	106.7562	1.741	27	106.7252	1.506	33	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:3:2:	4:4:2:1:	4:4:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C[5]-4:C-4:O[5]-2:H-1:	C-4:P-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OP)	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]C[5])(H)	O(CC[6a]2C[5])(PN[5]CoO)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OP)	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]C[5])(H){2|C<4>}	O(CC[6a]2C[5])(PN[5]CoO)	107.6880	0.813	2	107.6880	0.661	2	106.7562	1.741	27	106.7252	1.506	33	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:3:2:	4:4:2:1:	4:4:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C[5]-4:C-4:O[5]-2:H-1:	C-4:P-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OP)	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]C[5])(H)	O(CC[6a]2C[5])(PN[5]RhO)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OP)	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]C[5])(H){2|C<4>}	O(CC[6a]2C[5])(PN[5]RhO)	107.0691	0.660	8	107.0691	0.436	8	106.7562	1.741	27	106.7252	1.506	33	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:3:2:	4:4:2:1:	4:4:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C[5]-4:C-4:O[5]-2:H-1:	C-4:P-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OP)	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]C[5])(H)	O(CC[6a]2C[5])(PN[6]PdO)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OP)	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]C[5])(H){2|C<4>}	O(CC[6a]2C[5])(PN[6]PdO)	109.6590	0.000	1	109.6590	0.000	1	106.7562	1.741	27	106.7252	1.506	33	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:3:2:	4:4:2:1:	4:4:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C[5]-4:C-4:O[5]-2:H-1:	C-4:P-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OP)	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]C[5])(H)	O(CC[6a]2C[5])(PPdOO)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OP)	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]C[5])(H){2|C<4>}	O(CC[6a]2C[5])(PPdOO)	106.1183	1.521	4	106.1183	2.314	4	106.7562	1.741	27	106.7252	1.506	33	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:3:2:	4:4:2:1:	4:4:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C[5]-4:C-4:O[5]-2:H-1:	C-4:P-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OP)	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]C[5])(H)	O(CC[6a]2C[5])(PRhNO)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OP)	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]C[5])(H){2|C<4>}	O(CC[6a]2C[5])(PRhNO)	107.1065	1.138	2	107.1065	1.294	2	106.7562	1.741	27	106.7252	1.506	33	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:3:2:	4:4:4:1:	4:1:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C[5]-4:N[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OH)	C[5](C[5]C[5]HH)(N[5]C[5]CO)(CC[6a]2O)(H)	O(CC[6a]2C[5])(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OH)	C[5](C[5]C[5]HH)(N[5]C[5]CO)(CC[6a]2O)(H){4|H<1>}	O(CC[6a]2C[5])(H)	108.7367	0.622	3	108.7367	0.386	3	108.6928	0.265	4	108.6928	0.265	4	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:3:2:	4:4:4:1:	4:1:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C[5]-4:N[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OH)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CC[6a]2O)(H)	O(CC[6a]2C[5])(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OH)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CC[6a]2O)(H){4|H<1>}	O(CC[6a]2C[5])(H)	108.5610	0.000	1	108.5610	0.000	1	108.6928	0.265	4	108.6928	0.265	4	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:3:2:	4:4:4:1:	4:4:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C[5]-4:N[5]-4:C-4:H-1:	C-4:Si-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OSi)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CC[6a]2O)(H)	O(CC[6a]2C[5])(SiC3)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OSi)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CC[6a]2O)(H){4|H<1>}	O(CC[6a]2C[5])(SiC3)	105.1050	0.000	1	105.1050	0.000	1	105.1050	0.000	1	105.1050	0.000	1	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:3:2:	4:4:4:4:	4:1:	C[5]-4:C-3:C-3:O-2:	C[5]-4:C[5]-4:C-4:C-4:	C-4:H-1:	C(C[5]C[5]2C)(CC[5]H)(CCC)(OH)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CCCO)(CH3)	O(CC[5]CC)(H)	C(C[5]C[5]2C)(CC[5]H)(CCC)(OH)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CCCO)(CH3){1|O<1>}	O(CC[5]CC)(H)	103.2800	0.000	1	103.2800	0.000	1	103.2800	0.000	1	103.2800	0.000	1	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:4:2:	3:4:2:1:	4:1:	C[5]-4:C[6a]-3:P-4:O-2:	C[5]-3:C-4:O[5]-2:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(PO3)(OH)	C[5](C[5]C[5]H)(CC[6a]OP)(O[5]C[5])(H)	O(CC[6a]C[5]P)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(PO3)(OH)	C[5](C[5]C[5]H)(CC[6a]OP)(O[5]C[5])(H){1|H<1>,1|O<1>}	O(CC[6a]C[5]P)(H)	107.9000	0.000	1	107.9000	0.000	1	107.9000	0.000	1	107.9000	0.000	1	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:4:2:	4:3:4:1:	4:1:	C[5]-4:C[6a]-3:C-4:O-2:	C[5]-4:N[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CBrHH)(OH)	C[5](C[5]N[5]HH)(N[5]C[5]O)(CC[6a]CO)(H)	O(CC[6a]C[5]C)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CBrHH)(OH)	C[5](C[5]N[5]HH)(N[5]C[5]O)(CC[6a]CO)(H){1|O<1>,1|O<2>}	O(CC[6a]C[5]C)(H)	101.2480	0.000	1	101.2480	0.000	1	104.8265	25.611	2	104.8265	25.611	2	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:4:2:	4:3:4:1:	4:1:	C[5]-4:C[6a]-3:C-4:O-2:	C[5]-4:N[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CCFF)(OH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]CO)(H)	O(CC[6a]C[5]C)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CCFF)(OH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]CO)(H){4|H<1>}	O(CC[6a]C[5]C)(H)	108.4050	0.000	1	108.4050	0.000	1	104.8265	25.611	2	104.8265	25.611	2	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:4:2:	4:4:2:1:	4:1:	C[5]-4:C[6a]-3:C-4:O-2:	C[5]-4:C-4:N[5]-2:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CH3)(OH)	C[5](C[5]N[5]HH)(CC[6a]CO)(N[5]C[5])(H)	O(CC[6a]C[5]C)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CH3)(OH)	C[5](C[5]N[5]HH)(CC[6a]CO)(N[5]C[5])(H){2|C<3>}	O(CC[6a]C[5]C)(H)	103.1640	0.000	1	103.1640	0.000	1	103.1640	0.000	1	104.7560	7.656	3	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:4:2:	4:4:2:1:	4:1:	C[5]-4:C[6a]-3:C-4:O-2:	C[5]-4:C-4:O[5]-2:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CH3)(OH)	C[5](C[5]O[5]CH)(CC[6a]CO)(O[5]C[5])(H)	O(CC[6a]C[5]C)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CH3)(OH)	C[5](C[5]O[5]CH)(CC[6a]CO)(O[5]C[5])(H){2|C<4>}	O(CC[6a]C[5]C)(H)	105.5520	3.393	2	105.5520	11.510	2	105.5520	11.510	2	104.7560	7.656	3	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:3:4:2:	4:4:4:1:	4:1:	C[5]-4:C-3:C-4:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(CC[5]O)(CH3)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCCO)(H)	O(CC[5]CC)(H)	C(C[5]C[5]2H)(CC[5]O)(CH3)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCCO)(H){1|O<1>,2|C<4>}	O(CC[5]CC)(H)	108.7140	2.373	2	108.7140	5.631	2	108.7140	5.631	2	108.7140	5.631	2	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	2:2:4:4:	4:1:	C[5]-4:C-4:O-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:H-1:	C(C[5]O[5]2C)(CCHH)(OH)(H)	C[5](O[5]C[5])2(CCHO)(CFFH)	O(CC[5]CH)(H)	C(C[5]O[5]2C)(CCHH)(OH)(H)	C[5](O[5]C[5])2(CCHO)(CFFH){1|H<1>,1|O<2>,2|C<4>}	O(CC[5]CH)(H)	107.6680	0.000	1	107.6680	0.000	1	107.6680	0.000	1	107.6680	0.000	1	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	3:2:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5,6a]-3:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5,6a]O[5]H)(CH3)(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5,6a]O[5]H)(CH3)(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHO)(H){1|H<1>,1|O<1>,2|C<3>}	O(CC[5]CH)(H)	110.4110	0.010	6	110.4110	0.000	6	110.4110	0.000	6	110.3851	4.271	38	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	3:2:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(H){1|C<4>,1|O<1>}	O(CC[5]CH)(H)	110.0460	0.000	1	110.0460	0.000	1	110.4138	4.780	25	110.3851	4.271	38	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	3:2:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	C[5](C[5]O[5]C)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	C[5](C[5]O[5]C)(O[5]C[5])(CCHO)(H){1|O<1>}	O(CC[5]CH)(H)	109.1810	0.000	1	109.1810	0.000	1	110.4138	4.780	25	110.3851	4.271	38	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	3:2:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CC[3]CH)(OH)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CC[3]CH)(OH)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(H){1|C<4>,1|O<1>}	O(CC[5]CH)(H)	108.7600	1.936	2	108.7600	3.748	2	110.4138	4.780	25	110.3851	4.271	38	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	3:2:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CC[5]CH)(OH)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CC[5]CH)(OH)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(H){1|C<4>,1|O<1>}	O(CC[5]CH)(H)	106.9680	0.000	1	106.9680	0.000	1	110.4138	4.780	25	110.3851	4.271	38	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	3:2:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(H){1|H<1>,1|O<1>}	O(CC[5]CH)(H)	104.4380	0.000	1	104.4380	0.000	1	110.4138	4.780	25	110.3851	4.271	38	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	3:2:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(H){1|C<3>,1|O<1>}	O(CC[5]CH)(H)	107.6500	0.000	1	111.1680	2.525	19	110.4138	4.780	25	110.3851	4.271	38	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	3:2:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(H){1|N<2>,1|O<1>}	O(CC[5]CH)(H)	107.2830	0.000	1	111.1680	2.525	19	110.4138	4.780	25	110.3851	4.271	38	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	3:2:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(H){1|N<4>,1|O<1>}	O(CC[5]CH)(H)	111.2095	1.756	2	111.1680	2.525	19	110.4138	4.780	25	110.3851	4.271	38	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	3:2:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(H){1|O<1>,1|O<2>}	O(CC[5]CH)(H)	111.6560	0.900	15	111.1680	2.525	19	110.4138	4.780	25	110.3851	4.271	38	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	3:2:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	N[5]-3:S[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]N[5]S[5]H)(CCHO)(OH)(H)	C[5](N[5]C[5]C)(S[5]C[5])(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]N[5]S[5]H)(CCHO)(OH)(H)	C[5](N[5]C[5]C)(S[5]C[5])(CCHO)(H){1|C<3>,3|H<1>}	O(CC[5]CH)(H)	111.9945	0.437	4	111.9945	0.191	4	111.9945	0.191	4	110.3851	4.271	38	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	3:2:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(C[5]C[5]O[5]H)(OH)(H)	C[5](C[5]O[5]C)(O[5]C[5])(CC[5]HO)(H)	O(CC[5]2H)(H)	C(C[5]C[5]N[5]H)(C[5]C[5]O[5]H)(OH)(H)	C[5](C[5]O[5]C)(O[5]C[5])(CC[5]HO)(H){1|O<1>}	O(CC[5]2H)(H)	106.9730	0.000	1	106.9730	0.000	1	106.9730	0.000	1	110.3851	4.271	38	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	3:2:4:1:	4:1:	C[5]-4:C[6]-4:O-2:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]C)(OH)(H)	C[5](C[5]C[5]O)(O[5]C[5])(CC[6]HO)(H)	O(CC[5]C[6]H)(H)	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]C)(OH)(H)	C[5](C[5]C[5]O)(O[5]C[5])(CC[6]HO)(H){1|O<2>,3|C<4>}	O(CC[5]C[6]H)(H)	105.8760	0.000	1	105.8760	0.000	1	108.4365	13.112	2	110.3851	4.271	38	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	3:2:4:1:	4:1:	C[5]-4:C[6]-4:O-2:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(C[6]S[6]2H)(OH)(H)	C[5](C[5]C[5]Br)(O[5]C[5])(CC[6]HO)(H)	O(CC[5]C[6]H)(H)	C(C[5]C[5]O[5]H)(C[6]S[6]2H)(OH)(H)	C[5](C[5]C[5]Br)(O[5]C[5])(CC[6]HO)(H){1|H<1>,1|O<1>}	O(CC[5]C[6]H)(H)	110.9970	0.000	1	110.9970	0.000	1	108.4365	13.112	2	110.3851	4.271	38	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	3:2:4:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	N[5]-3:S[5]-2:C-4:H-1:	C-4:C-4:	C(C[5]C[5]O[5]H)(C[5]N[5]S[5]H)(OC)(H)	C[5](N[5]C[5]C)(S[5]C[5])(CC[5]HO)(H)	O(CC[6a]HH)(CC[5]2H)	C(C[5]C[5]O[5]H)(C[5]N[5]S[5]H)(OC)(H)	C[5](N[5]C[5]C)(S[5]C[5])(CC[5]HO)(H){1|C<3>,3|H<1>}	O(CC[6a]HH)(CC[5]2H)	108.2030	0.000	1	108.2030	0.000	1	108.2030	0.000	1	108.2030	0.000	1	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	3:2:4:4:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C-4:H-1:	C(C[5]C[5,6a]O[5]C)(CHHO)(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHO)(CH3)	O(CC[5]CH)(H)	C(C[5]C[5,6a]O[5]C)(CHHO)(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHO)(CH3){1|C<4>,1|O<1>,2|C<3>}	O(CC[5]CH)(H)	111.9655	1.206	2	111.9655	1.454	2	111.9655	1.454	2	109.7603	15.315	3	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	3:2:4:4:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:H-1:	C(C[5]C[5]O[5]C)(CCHH)(OH)(H)	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(CH3)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]C)(CCHH)(OH)(H)	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(CH3){1|C<3>,1|H<1>}	O(CC[5]CH)(H)	105.3500	0.000	1	105.3500	0.000	1	105.3500	0.000	1	109.7603	15.315	3	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	3:3:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(CCHH)(OH)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]N[5]H)(CCHH)(OH)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(CCHO)(H){1|H<1>,1|O<1>}	O(CC[5]CH)(H)	111.1840	0.000	1	111.1840	0.000	1	108.8888	8.520	4	108.9482	5.898	6	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	3:3:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(CCHH)(OH)(H)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]N[5]H)(CCHH)(OH)(H)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(CCHO)(H){1|H<1>,1|O<1>,2|C<3>}	O(CC[5]CH)(H)	111.6200	0.000	1	111.6200	0.000	1	108.8888	8.520	4	108.9482	5.898	6	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	3:3:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(CH3)(OH)(H)	C[5](C[5]C[5]O)(N[5]C[5]C)(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]N[5]H)(CH3)(OH)(H)	C[5](C[5]C[5]O)(N[5]C[5]C)(CCHO)(H){1|C<3>,1|H<1>,1|O<1>}	O(CC[5]CH)(H)	106.0590	0.000	1	106.0590	0.000	1	108.8888	8.520	4	108.9482	5.898	6	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	3:3:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(CH3)(OH)(H)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]N[5]H)(CH3)(OH)(H)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(CCHO)(H){1|H<1>,1|O<1>,2|C<3>}	O(CC[5]CH)(H)	106.6920	0.000	1	106.6920	0.000	1	108.8888	8.520	4	108.9482	5.898	6	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	3:3:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	N[5]-3:C[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(CCCH)(OH)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]N[5]H)(CCCH)(OH)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(CCHO)(H){1|C<4>,1|O<1>,2|C<3>}	O(CC[5]CH)(H)	110.4610	0.000	1	110.4610	0.000	1	110.4610	0.000	1	108.9482	5.898	6	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	3:3:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-3:C[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[5]HO)(H)	O(CC[5]2H)(H)	C(C[5]C[5]O[5]H)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[5]HO)(H){1|O<1>}	O(CC[5]2H)(H)	107.6730	0.000	1	107.6730	0.000	1	107.6730	0.000	1	108.9482	5.898	6	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	3:3:4:2:	4:4:	C[5]-4:C-4:O-2:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C-4:Si-4:	C(C[5]C[5,6a]C[5]O)(CCHO)(OSi)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHO)(OSi)	O(CC[5]CH)(SiC3)	C(C[5]C[5,6a]C[5]O)(CCHO)(OSi)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHO)(OSi){2|C<3>,2|H<1>}	O(CC[5]CH)(SiC3)	107.3250	3.373	2	107.3250	11.376	2	107.3250	11.376	2	107.3250	11.376	2	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	3:3:4:4:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:H-1:	C(C[5]C[5,6a]C[5]C)(CF3)(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CCHO)	O(CC[5]CH)(H)	C(C[5]C[5,6a]C[5]C)(CF3)(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CCHO){1|C<4>,1|H<1>,2|C<3>}	O(CC[5]CH)(H)	111.6390	0.000	1	111.6390	0.000	1	111.6390	0.000	1	109.9170	5.931	2	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	3:3:4:4:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:H-1:	C(C[5]C[5]2C)(CCCH)(OH)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHO)(CH3)	O(CC[5]CH)(H)	C(C[5]C[5]2C)(CCCH)(OH)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHO)(CH3){1|C<4>}	O(CC[5]CH)(H)	108.1950	0.000	1	108.1950	0.000	1	108.1950	0.000	1	109.9170	5.931	2	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	3:4:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-3:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(CC[5]HH)(OH)(H)	C[5](C[5]C[5,6]O)(C[5]O[5]CC)(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]2H)(CC[5]HH)(OH)(H)	C[5](C[5]C[5,6]O)(C[5]O[5]CC)(CCHO)(H){1|C<4>,1|O<2>}	O(CC[5]CH)(H)	104.3140	0.000	1	104.3140	0.000	1	104.3140	0.000	1	106.8360	3.380	4	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	3:4:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]N[5,5]C[5]H)(CCHH)(OH)(H)	C[5](N[5,5]N[5,6a]C[5,5])(C[5]C[5]HH)(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]N[5,5]C[5]H)(CCHH)(OH)(H)	C[5](N[5,5]N[5,6a]C[5,5])(C[5]C[5]HH)(CCHO)(H){1|C<4>,2|C<3>,3|H<1>}	O(CC[5]CH)(H)	108.4120	0.000	1	108.4120	0.000	1	108.4120	0.000	1	106.8360	3.380	4	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	3:4:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	N[5,5a]-3:C[5,5]-4:C-4:H-1:	C-4:H-1:	C(C[5]N[5,5a]C[5,5]H)(CH3)(OH)(H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]O[5]H)(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]N[5,5a]C[5,5]H)(CH3)(OH)(H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]O[5]H)(CCHO)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	O(CC[5]CH)(H)	107.9600	0.000	1	107.9600	0.000	1	107.9600	0.000	1	106.8360	3.380	4	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	3:4:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(CH3)(OH)(H)	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]N[5]H)(CH3)(OH)(H)	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(CCHO)(H){1|O<1>,2|C<3>}	O(CC[5]CH)(H)	106.6580	0.000	1	106.6580	0.000	1	106.6580	0.000	1	106.8360	3.380	4	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	3:4:4:4:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5,6]-3:C[5]-4:C-4:C-4:	C-4:H-1:	C(C[5]C[5,6]C[5]C)(CH3)(OH)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HO)(CCHO)(CH3)	O(CC[5]CH)(H)	C(C[5]C[5,6]C[5]C)(CH3)(OH)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HO)(CCHO)(CH3){1|C<3>,2|C<4>,3|H<1>}	O(CC[5]CH)(H)	111.1710	0.000	1	111.1710	0.000	1	111.1710	0.000	1	111.1710	0.000	1	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[3,5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[3,5]O[5]H)(CHHO)(OH)(H)	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[3,5]O[5]H)(CHHO)(OH)(H)	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CCHO)(H){1|N<3>,2|H<1>}	O(CC[5]CH)(H)	108.7783	0.178	3	108.7783	0.032	3	108.7783	0.032	3	109.3811	4.914	107	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5,5]O[5]H)(CH3)(OH)(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5,5]O[5]H)(CH3)(OH)(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHO)(H){1|C<4>,2|H<1>,2|O<2>}	O(CC[5]CH)(H)	104.7330	0.000	1	105.5750	1.418	2	107.2233	8.860	3	109.3811	4.914	107	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5,5]O[5]H)(CH3)(OH)(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5,5]O[5]H)(CH3)(OH)(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHO)(H){1|H<1>,1|O<1>,2|C<4>}	O(CC[5]CH)(H)	106.4170	0.000	1	105.5750	1.418	2	107.2233	8.860	3	109.3811	4.914	107	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5,5]O[5]H)(CHHO)(OH)(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5,5]O[5]H)(CHHO)(OH)(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHO)(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>}	O(CC[5]CH)(H)	110.5200	0.000	1	110.5200	0.000	1	107.2233	8.860	3	109.3811	4.914	107	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5,6]O[5]H)(CH3)(OH)(H)	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5,6]O[5]H)(CH3)(OH)(H)	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(CCHO)(H){1|C<4>,1|N<3>,2|O<1>,4|H<1>}	O(CC[5]CH)(H)	112.1770	0.000	1	112.1770	0.000	1	112.1770	0.000	1	109.3811	4.914	107	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CC3)(OH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CC3)(OH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){4|H<1>}	O(CC[5]CH)(H)	109.0430	0.000	1	109.0430	0.000	1	109.2735	4.822	80	109.3811	4.914	107	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CC3)(OH)(H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CC3)(OH)(H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CCHO)(H){1|H<1>,1|O<2>,3|C<4>}	O(CC[5]CH)(H)	108.1040	0.000	1	108.1040	0.000	1	109.2735	4.822	80	109.3811	4.914	107	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CC3)(OH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CC3)(OH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>}	O(CC[5]CH)(H)	109.8180	0.000	1	109.8180	0.000	1	109.2735	4.822	80	109.3811	4.914	107	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CC3)(OH)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CC3)(OH)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H){2|C<4>}	O(CC[5]CH)(H)	110.0295	1.818	2	110.0295	3.305	2	109.2735	4.822	80	109.3811	4.914	107	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CCCH)(OH)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CCCH)(OH)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H){2|C<3>}	O(CC[5]CH)(H)	111.1270	0.000	1	111.1270	0.000	1	109.2735	4.822	80	109.3811	4.914	107	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CCCO)(OH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CCCO)(OH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,1|O<1>,1|O<2>}	O(CC[5]CH)(H)	109.7882	2.259	5	109.7882	5.105	5	109.2735	4.822	80	109.3811	4.914	107	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,1|O<2>,2|H<1>}	O(CC[5]CH)(H)	106.5890	2.471	2	108.5019	4.044	7	109.2735	4.822	80	109.3811	4.914	107	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,3|H<1>}	O(CC[5]CH)(H)	109.2935	2.740	2	108.5019	4.044	7	109.2735	4.822	80	109.3811	4.914	107	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|O<1>,2|H<1>}	O(CC[5]CH)(H)	109.2493	0.450	3	108.5019	4.044	7	109.2735	4.822	80	109.3811	4.914	107	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(CCHO)(H){1|C<4>,1|O<1>}	O(CC[5]CH)(H)	110.1190	0.000	1	110.1190	0.000	1	109.2735	4.822	80	109.3811	4.914	107	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){1|O<1>}	O(CC[5]CH)(H)	110.6590	0.000	1	112.6337	3.010	3	109.2735	4.822	80	109.3811	4.914	107	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>}	O(CC[5]CH)(H)	113.6210	0.413	2	112.6337	3.010	3	109.2735	4.822	80	109.3811	4.914	107	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H){2|C<4>}	O(CC[5]CH)(H)	107.4600	0.000	1	107.4600	0.000	1	109.2735	4.822	80	109.3811	4.914	107	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CCHN)(OH)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CCHN)(OH)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){2|H<1>,2|O<2>}	O(CC[5]CH)(H)	109.6965	0.400	2	109.6965	0.160	2	109.2735	4.822	80	109.3811	4.914	107	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CCHN)(OH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CCHN)(OH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>}	O(CC[5]CH)(H)	112.1435	0.479	2	112.1435	0.229	2	109.2735	4.822	80	109.3811	4.914	107	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,3|H<1>}	O(CC[5]CH)(H)	105.7190	0.000	1	105.7190	0.000	1	109.2735	4.822	80	109.3811	4.914	107	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H){1|H<1>,1|O<1>,1|O<2>}	O(CC[5]CH)(H)	108.9650	0.000	1	108.9650	0.000	1	109.2735	4.822	80	109.3811	4.914	107	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	C[5](C[5]N[5]HH)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	C[5](C[5]N[5]HH)(O[5]C[5])(CCHO)(H){3|C<4>}	O(CC[5]CH)(H)	110.9193	1.761	3	110.9193	3.102	3	109.2735	4.822	80	109.3811	4.914	107	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>}	O(CC[5]CH)(H)	112.6210	0.000	1	112.6210	0.000	1	109.2735	4.822	80	109.3811	4.914	107	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CC[3]CH)(OH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CC[3]CH)(OH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,1|H<1>,1|O<1>}	O(CC[5]CH)(H)	111.0250	0.000	1	111.0250	0.000	1	109.2735	4.822	80	109.3811	4.914	107	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CC[5]CO)(OH)(H)	C[5](C[5]C[5,6]HH)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CC[5]CO)(OH)(H)	C[5](C[5]C[5,6]HH)(O[5]C[5])(CCHO)(H){1|C<3>,1|C<4>,1|O<1>}	O(CC[5]CH)(H)	106.4300	2.258	2	106.4300	5.101	2	109.2735	4.822	80	109.3811	4.914	107	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CC[5]HO)(OH)(H)	C[5](C[5]O[5]HH)(O[5]C[5,6])(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CC[5]HO)(OH)(H)	C[5](C[5]O[5]HH)(O[5]C[5,6])(CCHO)(H){2|C<4>}	O(CC[5]CH)(H)	108.9620	0.899	2	108.9620	0.809	2	109.2735	4.822	80	109.3811	4.914	107	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CC[5]HO)(OH)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CC[5]HO)(OH)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H){2|C<4>}	O(CC[5]CH)(H)	109.3325	0.663	4	109.3325	0.440	4	109.2735	4.822	80	109.3811	4.914	107	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CC[6a]CH)(OH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CC[6a]CH)(OH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,1|H<1>,1|O<1>}	O(CC[5]CH)(H)	108.2167	3.046	3	108.7000	7.121	4	109.2735	4.822	80	109.3811	4.914	107	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CC[6a]CH)(OH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CC[6a]CH)(OH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|O<1>,2|H<1>}	O(CC[5]CH)(H)	110.1500	0.000	1	108.7000	7.121	4	109.2735	4.822	80	109.3811	4.914	107	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CC[6a]HH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CC[6a]HH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H){1|N<3>,3|H<1>}	O(CC[5]CH)(H)	109.9870	0.724	2	109.9870	0.524	2	109.2735	4.822	80	109.3811	4.914	107	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CClCC)(OH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CClCC)(OH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H){1|C<3>,1|O<1>}	O(CC[5]CH)(H)	109.3950	0.000	1	109.3950	0.000	1	109.2735	4.822	80	109.3811	4.914	107	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CH3)(OH)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CH3)(OH)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){1|C<4>,1|O<2>,2|H<1>}	O(CC[5]CH)(H)	110.9707	0.070	4	110.9707	0.005	4	109.2735	4.822	80	109.3811	4.914	107	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CH3)(OH)(H)	C[5](C[5]C[5]HN)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CH3)(OH)(H)	C[5](C[5]C[5]HN)(O[5]C[5])(CCHO)(H){1|O<1>,2|H<1>}	O(CC[5]CH)(H)	109.3420	3.111	2	109.3420	9.680	2	109.2735	4.822	80	109.3811	4.914	107	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CCHO)(H){2|H<1>,2|O<2>}	O(CC[5]CH)(H)	110.5690	0.000	1	110.5690	0.000	1	109.2735	4.822	80	109.3811	4.914	107	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){2|H<1>,2|O<2>}	O(CC[5]CH)(H)	110.7310	0.000	1	110.7310	0.000	1	109.2735	4.822	80	109.3811	4.914	107	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5,5]HS)(O[5]C[5,5])(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5,5]HS)(O[5]C[5,5])(CCHO)(H){2|H<1>,2|O<2>}	O(CC[5]CH)(H)	105.2775	1.264	2	105.2775	1.597	2	109.2735	4.822	80	109.3811	4.914	107	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCHO)(H){1|C<4>,1|O<2>,2|H<1>}	O(CC[5]CH)(H)	110.7630	0.000	1	110.7630	0.000	1	109.2735	4.822	80	109.3811	4.914	107	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5,6]O[5]H)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5,6]O[5]H)(O[5]C[5])(CCHO)(H){1|H<1>,1|N<3>,3|C<4>}	O(CC[5]CH)(H)	109.1990	0.000	1	109.1990	0.000	1	109.2735	4.822	80	109.3811	4.914	107	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5,6]SiH)(O[5]C[5,6])(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5,6]SiH)(O[5]C[5,6])(CCHO)(H){1|H<1>,3|C<4>}	O(CC[5]CH)(H)	111.3720	0.000	1	111.3720	0.000	1	109.2735	4.822	80	109.3811	4.914	107	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5]CO)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5]CO)(O[5]C[5])(CCHO)(H){1|C<4>,1|O<1>,1|O<2>}	O(CC[5]CH)(H)	108.7860	0.000	1	108.7860	0.000	1	109.2735	4.822	80	109.3811	4.914	107	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|H<1>,1|O<1>,1|O<2>}	O(CC[5]CH)(H)	109.2300	0.000	1	109.2300	0.000	1	109.2735	4.822	80	109.3811	4.914	107	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5]HN)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5]HN)(O[5]C[5])(CCHO)(H){1|O<1>,2|H<1>}	O(CC[5]CH)(H)	109.0995	0.076	2	109.0995	0.006	2	109.2735	4.822	80	109.3811	4.914	107	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H){1|C<4>,1|N<3>,2|H<1>}	O(CC[5]CH)(H)	106.4260	0.000	1	109.1232	4.424	5	109.2735	4.822	80	109.3811	4.914	107	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H){1|C<4>,1|O<1>,1|O<2>}	O(CC[5]CH)(H)	108.5280	0.000	1	109.1232	4.424	5	109.2735	4.822	80	109.3811	4.914	107	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H){1|H<1>,1|O<1>,1|O<2>}	O(CC[5]CH)(H)	110.2207	1.796	3	109.1232	4.424	5	109.2735	4.822	80	109.3811	4.914	107	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5]O[5]H)(O[5]B[5,6])(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5]O[5]H)(O[5]B[5,6])(CCHO)(H){1|C<4>,1|H<1>,1|O<2>,2|N<3>}	O(CC[5]CH)(H)	108.8180	0.000	1	108.8180	0.000	1	109.2735	4.822	80	109.3811	4.914	107	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]N[5]HH)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]N[5]HH)(O[5]C[5])(CCHO)(H){1|C<3>}	O(CC[5]CH)(H)	110.9310	0.000	1	110.9310	0.000	1	109.2735	4.822	80	109.3811	4.914	107	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>}	O(CC[5]CH)(H)	105.5550	0.551	4	105.5550	0.304	4	109.2735	4.822	80	109.3811	4.914	107	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CHHS)(OH)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CHHS)(OH)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){2|H<1>,2|O<2>}	O(CC[5]CH)(H)	106.0180	0.000	1	106.0180	0.000	1	109.2735	4.822	80	109.3811	4.914	107	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CN[5a]HH)(OH)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CN[5a]HH)(OH)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){2|H<1>,2|O<2>}	O(CC[5]CH)(H)	108.5840	4.103	2	108.5840	16.832	2	109.2735	4.822	80	109.3811	4.914	107	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:Se[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]Se[5]C[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5]HO)(Se[5]C[5])(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]Se[5]C[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5]HO)(Se[5]C[5])(CCHO)(H){1|O<1>,3|H<1>}	O(CC[5]CH)(H)	109.3860	0.000	1	109.3860	0.000	1	109.3860	0.000	1	109.3811	4.914	107	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OH)(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CC[5]HO)(H)	O(CC[5]2H)(H)	C(C[5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OH)(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CC[5]HO)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(CC[5]2H)(H)	107.0647	1.278	3	107.0647	1.633	3	107.0647	1.633	3	109.3811	4.914	107	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OH)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(H)	O(CC[5]2H)(H)	C(C[5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OH)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(H){2|C<4>}	O(CC[5]2H)(H)	111.3493	2.317	3	111.3493	5.369	3	110.5858	3.458	15	109.3811	4.914	107	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(C[5]C[5]O[5]H)(OH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(H)	O(CC[5]2H)(H)	C(C[5]C[5]N[5]H)(C[5]C[5]O[5]H)(OH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(H){2|C<4>}	O(CC[5]2H)(H)	111.2360	0.000	1	111.2360	0.000	1	110.5858	3.458	15	109.3811	4.914	107	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(OH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CC[5]HO)(H)	O(CC[5]2H)(H)	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(OH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CC[5]HO)(H){1|C<4>,1|H<1>,1|O<1>}	O(CC[5]2H)(H)	113.3300	0.000	1	113.3300	0.000	1	110.5858	3.458	15	109.3811	4.914	107	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(OH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(H)	O(CC[5]2H)(H)	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(OH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(H){2|C<4>}	O(CC[5]2H)(H)	109.6650	0.000	1	109.6650	0.000	1	110.5858	3.458	15	109.3811	4.914	107	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(OH)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(H)	O(CC[5]2H)(H)	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(OH)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(H){2|C<4>}	O(CC[5]2H)(H)	109.8520	0.242	2	109.8520	0.058	2	110.5858	3.458	15	109.3811	4.914	107	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(C[5]C[5]2H)(OH)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(H)	O(CC[5]2H)(H)	C(C[5]C[5]O[5]H)(C[5]C[5]2H)(OH)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(H){2|C<4>}	O(CC[5]2H)(H)	110.1910	0.000	1	110.1910	0.000	1	110.5858	3.458	15	109.3811	4.914	107	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)2(OH)(H)	C[5](C[5]C[5]HH)(O[5]N[5])(CC[5]HO)(H)	O(CC[5]2H)(H)	C(C[5]C[5]O[5]H)2(OH)(H)	C[5](C[5]C[5]HH)(O[5]N[5])(CC[5]HO)(H){1|H<1>,2|C<4>}	O(CC[5]2H)(H)	108.4440	0.000	1	108.4440	0.000	1	110.5858	3.458	15	109.3811	4.914	107	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)2(OH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(H)	O(CC[5]2H)(H)	C(C[5]C[5]O[5]H)2(OH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(H){2|C<4>}	O(CC[5]2H)(H)	109.7440	2.534	3	109.7440	6.423	3	110.5858	3.458	15	109.3811	4.914	107	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)2(OH)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(H)	O(CC[5]2H)(H)	C(C[5]C[5]O[5]H)2(OH)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(H){2|C<4>}	O(CC[5]2H)(H)	111.4685	2.172	2	111.4685	4.716	2	110.5858	3.458	15	109.3811	4.914	107	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5]-4:C[6]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]H)(OH)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[6]HO)(H)	O(CC[5]C[6]H)(H)	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]H)(OH)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[6]HO)(H){2|C<4>}	O(CC[5]C[6]H)(H)	112.3560	0.000	1	112.3560	0.000	1	112.3560	0.000	1	109.3811	4.914	107	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:4:	C[5]-4:C-4:O-2:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:C-4:	C(C[5]C[5,5]O[5]H)(CCHO)(OC)(H)	C[5](C[5,5]C[5,5]N[5,5]H)(O[5]C[5])(CCHO)(H)	O(CC[6a]HH)(CC[5]CH)	C(C[5]C[5,5]O[5]H)(CCHO)(OC)(H)	C[5](C[5,5]C[5,5]N[5,5]H)(O[5]C[5])(CCHO)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	O(CC[6a]HH)(CC[5]CH)	110.1425	0.547	2	110.1425	0.299	2	110.1425	0.299	2	109.3286	10.418	19	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:4:	C[5]-4:C-4:O-2:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C-4:Si-4:	C(C[5]C[5,6]O[5]H)(CCHH)(OSi)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(SiC3)	C(C[5]C[5,6]O[5]H)(CCHH)(OSi)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHO)(H){2|C<3>,2|C<4>,3|H<1>}	O(CC[5]CH)(SiC3)	102.3480	0.000	1	102.3480	0.000	1	102.3480	0.000	1	109.3286	10.418	19	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:C-4:	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	C[5](C[5]N[5a]O[5]H)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(CH3)	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	C[5](C[5]N[5a]O[5]H)(O[5]C[5])(CCHO)(H){1|C<3>,1|N<2>,2|C<4>}	O(CC[5]CH)(CH3)	109.4225	0.716	2	109.4225	0.513	2	109.6403	11.326	7	109.3286	10.418	19	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:C-4:	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	C[5](C[5]N[6a]O[5]H)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(CH3)	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	C[5](C[5]N[6a]O[5]H)(O[5]C[5])(CCHO)(H){2|C<3>,2|C<4>}	O(CC[5]CH)(CH3)	105.2690	0.484	2	105.2690	0.234	2	109.6403	11.326	7	109.3286	10.418	19	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:C-4:	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(CHHO)	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|H<1>}	O(CC[5]CH)(CHHO)	112.1210	0.000	1	112.1210	0.000	1	109.6403	11.326	7	109.3286	10.418	19	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:C-4:	C(C[5]C[5]O[5]H)(CC[5]HN)(OC)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H)	O(CC[6a]HH)(CC[5]CH)	C(C[5]C[5]O[5]H)(CC[5]HN)(OC)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H){2|C<4>}	O(CC[6a]HH)(CC[5]CH)	112.9890	0.560	2	112.9890	0.314	2	109.6403	11.326	7	109.3286	10.418	19	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:S-4:	C(C[5]C[5]O[5]H)(CHHO)(OS)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	O(CC[5]CH)(SCOO)	C(C[5]C[5]O[5]H)(CHHO)(OS)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){2|H<1>,2|O<2>}	O(CC[5]CH)(SCOO)	104.6880	0.000	1	104.6880	0.000	1	104.6880	0.000	1	109.3286	10.418	19	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:Si-4:	C(C[5]C[5]O[5]H)(CCHH)(OSi)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(SiC3)	C(C[5]C[5]O[5]H)(CCHH)(OSi)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,3|H<1>}	O(CC[5]CH)(SiC3)	110.9120	0.000	1	110.9120	0.000	1	110.6540	0.133	2	109.3286	10.418	19	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:Si-4:	C(C[5]C[5]O[5]H)(CCHO)(OSi)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H)	O(CC[5]CH)(SiC3)	C(C[5]C[5]O[5]H)(CCHO)(OSi)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H){2|C<4>}	O(CC[5]CH)(SiC3)	110.3960	0.000	1	110.3960	0.000	1	110.6540	0.133	2	109.3286	10.418	19	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:C-4:	C(C[5]C[5]N[5]H)(C[5]C[5]O[5]H)(OC)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(H)	O(CC[6a]HH)(CC[5]2H)	C(C[5]C[5]N[5]H)(C[5]C[5]O[5]H)(OC)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(H){2|C<4>}	O(CC[6a]HH)(CC[5]2H)	109.6840	0.000	1	109.6840	0.000	1	111.8320	9.228	2	109.3286	10.418	19	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:C-4:	C(C[5]C[5]O[5]H)(C[5]N[5]S[5]H)(OC)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(H)	O(CC[6a]HH)(CC[5]2H)	C(C[5]C[5]O[5]H)(C[5]N[5]S[5]H)(OC)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(H){2|C<4>}	O(CC[6a]HH)(CC[5]2H)	113.9800	0.000	1	113.9800	0.000	1	111.8320	9.228	2	109.3286	10.418	19	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:	C(C[5]C[5]O[5]H)2(OC[5])(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(H)	O(C[5]C[5]O[5]C)(CC[5]2H)	C(C[5]C[5]O[5]H)2(OC[5])(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(H){1|O<1>}	O(C[5]C[5]O[5]C)(CC[5]2H)	108.2110	4.029	2	108.2110	16.234	2	108.2110	16.234	2	109.3286	10.418	19	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:1:	4:4:	C[5]-4:C[6]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:Si-4:	C(C[5]C[5]O[5]H)(C[6]C[6]N[6]H)(OSi)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[6]HO)(H)	O(CC[5]C[6]H)(SiC3)	C(C[5]C[5]O[5]H)(C[6]C[6]N[6]H)(OSi)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[6]HO)(H){2|C<4>}	O(CC[5]C[6]H)(SiC3)	110.5230	0.072	2	110.5230	0.005	2	110.5230	0.005	2	109.3286	10.418	19	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:2:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C-4:H-1:	C(C[5]C[5]O[5]O)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CC[5]HO)(OH)	O(CC[5]2H)(H)	C(C[5]C[5]O[5]O)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CC[5]HO)(OH){1|C<4>,3|H<1>}	O(CC[5]2H)(H)	109.7870	0.000	1	109.7870	0.000	1	109.7870	0.000	1	109.7870	0.000	1	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:3:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5,6]-4:O[5]-2:C-4:C-3:	C-4:H-1:	C(C[5]C[5,6]O[5]C)(CH3)(OH)(H)	C[5](C[5,6]C[5a,6]C[5,6]H)(O[5]C[5,6])(CCHO)(CCH)	O(CC[5]CH)(H)	C(C[5]C[5,6]O[5]C)(CH3)(OH)(H)	C[5](C[5,6]C[5a,6]C[5,6]H)(O[5]C[5,6])(CCHO)(CCH){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	O(CC[5]CH)(H)	107.2970	0.000	1	107.2970	0.000	1	107.2970	0.000	1	107.2970	0.000	1	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:4:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:H-1:	C(C[5]C[5]O[5]C)(CCHH)(OH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(CH3)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]C)(CCHH)(OH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(CH3){1|C<4>,3|H<1>}	O(CC[5]CH)(H)	109.4200	0.000	1	109.4200	0.000	1	108.8933	0.963	3	108.0114	1.683	13	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:4:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:H-1:	C(C[5]C[5]O[5]C)(CC[5]HH)(OH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(CH3)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]C)(CC[5]HH)(OH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(CH3){1|C<3>,3|H<1>}	O(CC[5]CH)(H)	109.4990	0.000	1	109.4990	0.000	1	108.8933	0.963	3	108.0114	1.683	13	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:4:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:H-1:	C(C[5]C[5]O[5]C)(CHHO)(OH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(CH3)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]C)(CHHO)(OH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(CH3){1|C<3>,1|O<2>,2|H<1>}	O(CC[5]CH)(H)	107.7610	0.000	1	107.7610	0.000	1	108.8933	0.963	3	108.0114	1.683	13	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:4:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-2:C-4:C-4:	C-4:H-1:	C(C[5]C[5]N[5]C)(C[5]C[5]N[5]H)(OH)(H)	C[5](C[5]O[5]HH)(N[5]C[5])(CC[5]HO)(CH3)	O(CC[5]2H)(H)	C(C[5]C[5]N[5]C)(C[5]C[5]N[5]H)(OH)(H)	C[5](C[5]O[5]HH)(N[5]C[5])(CC[5]HO)(CH3){1|C<4>}	O(CC[5]2H)(H)	108.0512	1.085	6	108.0512	1.178	6	108.0512	1.178	6	108.0114	1.683	13	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:4:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:H-1:	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(OH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CC[5]HO)(CH3)	O(CC[5]2H)(H)	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(OH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CC[5]HO)(CH3){1|C<4>,3|H<1>}	O(CC[5]2H)(H)	107.0100	0.000	1	107.0100	0.000	1	107.2903	2.652	4	108.0114	1.683	13	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:4:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:H-1:	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(OH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(CHHO)	O(CC[5]2H)(H)	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(OH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(CHHO){2|C<4>}	O(CC[5]2H)(H)	105.0990	0.000	1	105.0990	0.000	1	107.2903	2.652	4	108.0114	1.683	13	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:2:4:4:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:H-1:	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(OH)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(CHHO)	O(CC[5]2H)(H)	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(OH)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(CHHO){2|C<4>}	O(CC[5]2H)(H)	108.5260	0.150	2	108.5260	0.022	2	107.2903	2.652	4	108.0114	1.683	13	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:3:2:4:	4:4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:O[5]-2:C-4:	C-4:C-4:	C(C[5]C[5]2O[5])(CCHH)(OC)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(O[5]C[5])(CCHO)	O(CC[5]CH)(CH3)	C(C[5]C[5]2O[5])(CCHH)(OC)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(O[5]C[5])(CCHO){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	O(CC[5]CH)(CH3)	108.4140	0.000	1	108.4140	0.000	1	108.4140	0.000	1	108.4140	0.000	1	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5,5]C[5]H)(CCHH)(OH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5,5]C[5]H)(CCHH)(OH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CCHO)(H){1|C<4>,1|H<1>,2|C<3>}	O(CC[5]CH)(H)	109.7410	0.000	1	109.7410	0.000	1	109.7410	0.000	1	109.9106	4.448	60	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5,5]N[5]H)(CCHH)(OH)(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5,5]N[5]H)(CCHH)(OH)(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(CCHO)(H){1|O<2>,2|C<4>,2|H<1>}	O(CC[5]CH)(H)	111.0510	0.000	1	111.0510	0.000	1	110.4259	3.657	7	109.9106	4.448	60	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5,5]N[5]H)(CCHO)(OH)(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]S)(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5,5]N[5]H)(CCHO)(OH)(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]S)(CCHO)(H){1|O<2>,2|C<4>,2|H<1>}	O(CC[5]CH)(H)	109.0478	0.778	4	109.0478	0.605	4	110.4259	3.657	7	109.9106	4.448	60	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5,5]N[5]H)(CH3)(OH)(H)	C[5](C[5,5]C[3x5]O[5]O)(N[5]C[5]H)(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5,5]N[5]H)(CH3)(OH)(H)	C[5](C[5,5]C[3x5]O[5]O)(N[5]C[5]H)(CCHO)(H){1|C<3>,1|O<1>,2|C<4>}	O(CC[5]CH)(H)	113.1820	0.000	1	113.1820	0.000	1	110.4259	3.657	7	109.9106	4.448	60	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5,5]N[5]H)(CHHO)(OH)(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5,5]N[5]H)(CHHO)(OH)(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(CCHO)(H){1|C<4>,1|O<2>,3|H<1>}	O(CC[5]CH)(H)	112.5570	0.000	1	112.5570	0.000	1	110.4259	3.657	7	109.9106	4.448	60	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5,6]C[5]H)(CH3)(OH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5,6]C[5]H)(CH3)(OH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHO)(H){1|C<3>,2|C<4>,4|H<1>}	O(CC[5]CH)(H)	109.2230	0.620	3	109.2230	0.384	3	109.3000	0.280	4	109.9106	4.448	60	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5,6]C[5]H)(CH3)(OH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5,6]C[5]H)(CH3)(OH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CCHO)(H){3|C<4>,4|H<1>}	O(CC[5]CH)(H)	109.5310	0.000	1	109.5310	0.000	1	109.3000	0.280	4	109.9106	4.448	60	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(CCCH)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]2H)(CCCH)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHO)(H){4|H<1>}	O(CC[5]CH)(H)	108.2100	0.000	1	108.2100	0.000	1	108.6361	3.144	16	109.9106	4.448	60	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(CCCH)(OH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]2H)(CCCH)(OH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHO)(H){2|H<1>}	O(CC[5]CH)(H)	107.4925	2.097	4	107.4925	4.396	4	108.6361	3.144	16	109.9106	4.448	60	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(CCHH)(OH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]2H)(CCHH)(OH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCHO)(H){2|C<3>,2|H<1>}	O(CC[5]CH)(H)	108.9170	0.000	1	108.9170	0.000	1	108.6361	3.144	16	109.9106	4.448	60	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(CCHO)(OH)(H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]2H)(CCHO)(OH)(H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHO)(H){1|O<1>}	O(CC[5]CH)(H)	108.9430	0.789	2	108.9430	0.623	2	108.6361	3.144	16	109.9106	4.448	60	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(CC[6]HH)(OH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]2H)(CC[6]HH)(OH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHO)(H){1|C<4>,2|H<1>}	O(CC[5]CH)(H)	110.8860	0.000	1	110.8860	0.000	1	108.6361	3.144	16	109.9106	4.448	60	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(CC[6a]HH)(OH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]2H)(CC[6a]HH)(OH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHO)(H){1|C<4>,2|H<1>}	O(CC[5]CH)(H)	112.7330	0.000	1	112.7330	0.000	1	108.6361	3.144	16	109.9106	4.448	60	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(CH3)(OH)(H)	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]2H)(CH3)(OH)(H)	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(CCHO)(H){2|C<4>}	O(CC[5]CH)(H)	109.4950	0.000	1	109.4950	0.000	1	108.6361	3.144	16	109.9106	4.448	60	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(CH3)(OH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]2H)(CH3)(OH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHO)(H){1|C<3>}	O(CC[5]CH)(H)	108.9860	0.000	1	108.9860	0.000	1	108.6361	3.144	16	109.9106	4.448	60	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(CH3)(OH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]2H)(CH3)(OH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHO)(H){1|C<4>,2|H<1>}	O(CC[5]CH)(H)	106.5590	0.000	1	106.5590	0.000	1	108.6361	3.144	16	109.9106	4.448	60	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(CHHN)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]2H)(CHHN)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHO)(H){1|C<4>,2|H<1>}	O(CC[5]CH)(H)	108.1340	0.124	2	108.1340	0.015	2	108.6361	3.144	16	109.9106	4.448	60	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(CHHO)(OH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]2H)(CHHO)(OH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHO)(H){1|C<4>,2|H<1>}	O(CC[5]CH)(H)	108.2670	0.000	1	108.2670	0.000	1	108.6361	3.144	16	109.9106	4.448	60	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(CCCH)(OH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]N[5]H)(CCCH)(OH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHO)(H){1|C<4>,3|H<1>}	O(CC[5]CH)(H)	110.8670	0.000	1	110.8670	0.000	1	109.9226	4.659	16	109.9106	4.448	60	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(CCFF)(OH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]N[5]H)(CCFF)(OH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHO)(H){4|H<1>}	O(CC[5]CH)(H)	113.9570	0.000	1	113.9570	0.000	1	109.9226	4.659	16	109.9106	4.448	60	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(CCHH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]N[5]H)(CCHH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHO)(H){1|C<4>,3|H<1>}	O(CC[5]CH)(H)	109.1110	0.000	1	109.1110	0.000	1	109.9226	4.659	16	109.9106	4.448	60	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(CCHH)(OH)(H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]N[5]H)(CCHH)(OH)(H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCHO)(H){2|C<4>}	O(CC[5]CH)(H)	110.1020	0.000	1	110.1020	0.000	1	109.9226	4.659	16	109.9106	4.448	60	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(CH3)(OH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]N[5]H)(CH3)(OH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHO)(H){2|C<3>,2|H<1>}	O(CC[5]CH)(H)	108.2900	0.000	1	108.2900	0.000	1	109.9226	4.659	16	109.9106	4.448	60	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(CH3)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]N[5]H)(CH3)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHO)(H){1|O<1>,2|H<1>}	O(CC[5]CH)(H)	111.6830	0.000	1	111.6830	0.000	1	109.9226	4.659	16	109.9106	4.448	60	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(CH3)(OH)(H)	C[5](C[5]N[5]CH)(N[5]C[5]C)(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]N[5]H)(CH3)(OH)(H)	C[5](C[5]N[5]CH)(N[5]C[5]C)(CCHO)(H){1|C<4>,1|O<1>}	O(CC[5]CH)(H)	107.8580	0.000	1	107.8580	0.000	1	109.9226	4.659	16	109.9106	4.448	60	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(CHHI)(OH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]N[5]H)(CHHI)(OH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CCHO)(H){1|O<1>,2|H<1>}	O(CC[5]CH)(H)	108.2955	3.398	2	108.2955	11.544	2	109.9226	4.659	16	109.9106	4.448	60	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(CHHN)(OH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]N[5]H)(CHHN)(OH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHO)(H){1|O<1>,2|H<1>}	O(CC[5]CH)(H)	111.1225	3.020	2	111.1225	9.121	2	109.9226	4.659	16	109.9106	4.448	60	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]N[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHO)(H){1|O<2>,3|H<1>}	O(CC[5]CH)(H)	108.1150	0.000	1	108.1150	0.000	1	109.9226	4.659	16	109.9106	4.448	60	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(CHHO)(OH)(H)	C[5](C[5]O[5]CH)(N[5]C[5]H)(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]N[5]H)(CHHO)(OH)(H)	C[5](C[5]O[5]CH)(N[5]C[5]H)(CCHO)(H){1|O<1>}	O(CC[5]CH)(H)	109.0640	0.000	1	109.0640	0.000	1	109.9226	4.659	16	109.9106	4.448	60	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(CHHO)(OH)(H)	C[5](C[5]O[5]CH)(N[5]C[5]S)(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]N[5]H)(CHHO)(OH)(H)	C[5](C[5]O[5]CH)(N[5]C[5]S)(CCHO)(H){2|C<4>}	O(CC[5]CH)(H)	112.6260	0.000	1	112.6260	0.000	1	109.9226	4.659	16	109.9106	4.448	60	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(CHHO)(OH)(H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]N[5]H)(CHHO)(OH)(H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCHO)(H){1|O<1>}	O(CC[5]CH)(H)	109.1260	0.757	2	109.1260	0.572	2	109.9226	4.659	16	109.9106	4.448	60	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]O)(C[5]C[5]2H)(OH)(H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[5]HO)(H)	O(CC[5]2H)(H)	C(C[5]C[5]O[5]O)(C[5]C[5]2H)(OH)(H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[5]HO)(H){1|O<1>}	O(CC[5]2H)(H)	108.1250	0.000	1	108.1250	0.000	1	108.1250	0.000	1	109.9106	4.448	60	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]C)(C[5]C[5]N[5]H)(OH)(H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[5]HO)(H)	O(CC[5]2H)(H)	C(C[5]C[5]N[5]C)(C[5]C[5]N[5]H)(OH)(H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[5]HO)(H){1|C<3>,1|H<1>}	O(CC[5]2H)(H)	111.7790	0.000	1	110.6863	6.690	7	110.8658	5.658	9	109.9106	4.448	60	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]C)(C[5]C[5]N[5]H)(OH)(H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[5]HO)(H)	O(CC[5]2H)(H)	C(C[5]C[5]N[5]C)(C[5]C[5]N[5]H)(OH)(H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[5]HO)(H){2|C<4>}	O(CC[5]2H)(H)	110.5042	2.784	6	110.6863	6.690	7	110.8658	5.658	9	109.9106	4.448	60	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(C[5]C[5]O[5]H)(OH)(H)	C[5](C[5]C[5]HH)(N[5]O[5]C)(CC[5]HO)(H)	O(CC[5]2H)(H)	C(C[5]C[5]N[5]H)(C[5]C[5]O[5]H)(OH)(H)	C[5](C[5]C[5]HH)(N[5]O[5]C)(CC[5]HO)(H){1|C<4>,1|H<1>}	O(CC[5]2H)(H)	110.0600	0.000	1	110.0600	0.000	1	110.8658	5.658	9	109.9106	4.448	60	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(C[5]C[5]O[5]H)(OH)(H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[5]HO)(H)	O(CC[5]2H)(H)	C(C[5]C[5]N[5]H)(C[5]C[5]O[5]H)(OH)(H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[5]HO)(H){2|C<4>}	O(CC[5]2H)(H)	112.9280	0.000	1	112.9280	0.000	1	110.8658	5.658	9	109.9106	4.448	60	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5]-4:C[6]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(C[6]C[6]2C)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[6]HO)(H)	O(CC[5]C[6]H)(H)	C(C[5]C[5]2H)(C[6]C[6]2C)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[6]HO)(H){1|O<2>,3|H<1>}	O(CC[5]C[6]H)(H)	112.1010	0.000	1	112.0074	2.729	5	112.0074	2.729	5	109.9106	4.448	60	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5]-4:C[6]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(C[6]C[6]2C)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[6]HO)(H)	O(CC[5]C[6]H)(H)	C(C[5]C[5]2H)(C[6]C[6]2C)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[6]HO)(H){4|H<1>}	O(CC[5]C[6]H)(H)	111.9840	1.907	4	112.0074	2.729	5	112.0074	2.729	5	109.9106	4.448	60	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5]-4:P-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(PC[6a]2O)(OH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHOP)(H)	O(CC[5]HP)(H)	C(C[5]C[5]N[5]H)(PC[6a]2O)(OH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHOP)(H){4|H<1>}	O(CC[5]HP)(H)	111.8200	0.000	1	111.8200	0.000	1	111.8200	0.000	1	109.9106	4.448	60	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:3:4:1:	4:4:	C[5]-4:C-4:O-2:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C-4:C-4:	C(C[5]C[5,5]C[5]H)(CCHH)(OC)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CCHO)(H)	O(CC[5]CH)(CHHO)	C(C[5]C[5,5]C[5]H)(CCHH)(OC)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CCHO)(H){1|C<4>,1|H<1>,2|C<3>}	O(CC[5]CH)(CHHO)	106.1020	1.089	4	106.1020	1.185	4	106.1020	1.185	4	108.3000	7.237	11	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:3:4:1:	4:4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:C-4:	C(C[5]C[5]N[5]H)(CCCH)(OC)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHO)(H)	O(CC[5]CH)(CH3)	C(C[5]C[5]N[5]H)(CCCH)(OC)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHO)(H){4|H<1>}	O(CC[5]CH)(CH3)	109.5310	0.000	1	109.5310	0.000	1	109.1133	5.783	3	108.3000	7.237	11	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:3:4:1:	4:4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:C-4:	C(C[5]C[5]N[5]H)(CCHO)(OC)(H)	C[5](C[5]C[5]CH)(N[5]O[5]C)(CCHO)(H)	O(CC[6a]HH)(CC[5]CH)	C(C[5]C[5]N[5]H)(CCHO)(OC)(H)	C[5](C[5]C[5]CH)(N[5]O[5]C)(CCHO)(H){1|C<4>,1|H<1>}	O(CC[6a]HH)(CC[5]CH)	108.9045	3.362	2	108.9045	11.305	2	109.1133	5.783	3	108.3000	7.237	11	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:3:4:1:	4:4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:Si-4:	C(C[5]C[5]N[5]H)(CCHH)(OSi)(H)	C[5](C[5]O[5]CH)(N[5]C[5]S)(CCHO)(H)	O(CC[5]CH)(SiC3)	C(C[5]C[5]N[5]H)(CCHH)(OSi)(H)	C[5](C[5]O[5]CH)(N[5]C[5]S)(CCHO)(H){1|O<1>}	O(CC[5]CH)(SiC3)	107.8740	0.000	1	107.8740	0.000	1	107.8740	0.000	1	108.3000	7.237	11	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:3:4:1:	4:4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:C-4:	C(C[5]C[5]N[5]H)(C[5]C[5]O[5]H)(OC)(H)	C[5](C[5]C[5]HH)(N[5]O[5]C)(CC[5]HO)(H)	O(CC[6a]HH)(CC[5]2H)	C(C[5]C[5]N[5]H)(C[5]C[5]O[5]H)(OC)(H)	C[5](C[5]C[5]HH)(N[5]O[5]C)(CC[5]HO)(H){1|C<4>,1|H<1>}	O(CC[6a]HH)(CC[5]2H)	106.8760	0.000	1	106.8760	0.000	1	106.8760	0.000	1	108.3000	7.237	11	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:3:4:1:	4:4:	C[5]-4:C[6]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:C-4:	C(C[5]C[5]2H)(C[6]C[6]2H)(OC)(H)	C[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6]HO)(H)	O(CC[5]C[6]H)(CH3)	C(C[5]C[5]2H)(C[6]C[6]2H)(OC)(H)	C[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6]HO)(H){4|H<1>}	O(CC[5]C[6]H)(CH3)	112.4010	0.303	2	112.4010	0.092	2	112.4010	0.092	2	108.3000	7.237	11	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:3:4:2:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5,5]-4:C[5]-3:C-4:O-2:	C-4:H-1:	C(C[5]C[5,5]C[5]O)(CH3)(OH)(H)	C[5](C[5,5]C[3x5]O[5]O)(C[5]N[5,5]O)(CCHO)(OH)	O(CC[5]CH)(H)	C(C[5]C[5,5]C[5]O)(CH3)(OH)(H)	C[5](C[5,5]C[3x5]O[5]O)(C[5]N[5,5]O)(CCHO)(OH){1|O<2>,3|C<4>}	O(CC[5]CH)(H)	109.6120	0.000	1	109.6120	0.000	1	109.6120	0.000	1	109.7136	0.149	5	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:3:4:2:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:C-2:	C-4:H-1:	C(C[5]C[5]2C)(CCHH)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHO)(CN)	O(CC[5]CH)(H)	C(C[5]C[5]2C)(CCHH)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHO)(CN){4|H<1>}	O(CC[5]CH)(H)	109.3160	0.000	1	109.3160	0.000	1	109.3160	0.000	1	109.7136	0.149	5	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:3:4:2:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C-4:H-1:	C(C[5]C[5]2O)(CCHH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]C[5]O)(CCHO)(OH)	O(CC[5]CH)(H)	C(C[5]C[5]2O)(CCHH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]C[5]O)(CCHO)(OH){2|H<1>}	O(CC[5]CH)(H)	109.6460	0.123	2	109.6460	0.015	2	109.6460	0.015	2	109.7136	0.149	5	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:3:4:2:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:O-2:	C-4:H-1:	C(C[5]C[5]N[5]O)(CH3)(OH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHO)(OC)	O(CC[5]CH)(H)	C(C[5]C[5]N[5]O)(CH3)(OH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHO)(OC){1|O<1>,2|H<1>}	O(CC[5]CH)(H)	110.3480	0.000	1	110.3480	0.000	1	110.3480	0.000	1	109.7136	0.149	5	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:3:4:2:	4:4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C-4:C-4:	C(C[5]C[5]2O)(CH3)(OC)(H)	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(CCHO)(OH)	O(CC[5]CH)(CH3)	C(C[5]C[5]2O)(CH3)(OC)(H)	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(CCHO)(OH){2|C<4>}	O(CC[5]CH)(CH3)	106.3690	0.000	1	106.3690	0.000	1	106.3690	0.000	1	106.3690	0.000	1	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:3:4:3:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C-4:H-1:	C(C[5]C[5]N[5]C)(C[5]C[5]N[5]H)(OH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[5]HO)(COO)	O(CC[5]2H)(H)	C(C[5]C[5]N[5]C)(C[5]C[5]N[5]H)(OH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[5]HO)(COO){1|C<3>,3|H<1>}	O(CC[5]2H)(H)	113.2730	0.000	1	113.2730	0.000	1	113.2730	0.000	1	113.2730	0.000	1	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:3:4:4:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:H-1:	C(C[5]C[5]N[5]C)(CCHH)(OH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(CCHO)	O(CC[5]CH)(H)	C(C[5]C[5]N[5]C)(CCHH)(OH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(CCHO){1|C<2>,3|H<1>}	O(CC[5]CH)(H)	109.6180	0.000	1	109.6180	0.000	1	109.6180	0.000	1	108.8905	1.059	2	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:3:4:4:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:H-1:	C(C[5]C[5]2C)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HO)(CH3)	O(CC[5]2H)(H)	C(C[5]C[5]2C)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HO)(CH3){2|H<1>}	O(CC[5]2H)(H)	108.1630	0.000	1	108.1630	0.000	1	108.1630	0.000	1	108.8905	1.059	2	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:4:2:4:	4:1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-4:O[5]-2:C-4:	C-4:H-1:	C(C[5,5]C[5,5]C[5]O[5])(C[5]C[5]O[5]C)(OH)(H)	C[5](C[5]C[5]CH)(CC[5,5]HO)(O[5]C[5])(CCHH)	O(CC[5,5]C[5]H)(H)	C(C[5,5]C[5,5]C[5]O[5])(C[5]C[5]O[5]C)(OH)(H)	C[5](C[5]C[5]CH)(CC[5,5]HO)(O[5]C[5])(CCHH){1|C<4>,1|O<1>,1|O<2>}	O(CC[5,5]C[5]H)(H)	107.9470	1.475	3	107.9470	2.174	3	107.9470	2.174	3	107.9470	2.174	3	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-1:	C-4:H-1:	C(CC[5,6,6]HH)(C[5]C[5]2O)(OH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHO)(O)	O(CC[5]CH)(H)	C(CC[5,6,6]HH)(C[5]C[5]2O)(OH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHO)(O){2|H<1>,2|O<2>}	O(CC[5]CH)(H)	110.6080	0.000	1	110.6080	0.000	1	110.6080	0.000	1	108.5910	3.955	24	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5,5,6]C[5]H)(CCHH)(OH)(H)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]O[5]H)(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5,5,6]C[5]H)(CCHH)(OH)(H)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]O[5]H)(CCHO)(H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	O(CC[5]CH)(H)	108.8760	0.000	1	108.8760	0.000	1	108.8760	0.000	1	108.5910	3.955	24	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5,5]C[5]H)(CC[5]HH)(OH)(H)	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC)(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5,5]C[5]H)(CC[5]HH)(OH)(H)	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC)(CCHO)(H){1|C<3>,1|C<4>,1|H<1>}	O(CC[5]CH)(H)	106.0170	0.000	1	106.0170	0.000	1	106.0170	0.000	1	108.5910	3.955	24	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5,6]C[5]H)(CCHH)(OH)(H)	C[5](C[5,6]C[3,6]C[5,6]H)(C[5]C[5,6]HH)(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5,6]C[5]H)(CCHH)(OH)(H)	C[5](C[5,6]C[3,6]C[5,6]H)(C[5]C[5,6]HH)(CCHO)(H){2|H<1>,2|O<2>,3|C<4>}	O(CC[5]CH)(H)	109.1100	0.000	1	109.1100	0.000	1	108.8297	0.145	3	108.5910	3.955	24	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5,6]C[5]H)(CH3)(OH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5,6]C[5]H)(CH3)(OH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHO)(H){1|O<2>,2|C<4>,4|H<1>}	O(CC[5]CH)(H)	108.9830	0.000	1	108.9830	0.000	1	108.8297	0.145	3	108.5910	3.955	24	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5,6]C[5]H)(CH3)(OH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5,6]C[5]H)(CH3)(OH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCHO)(H){2|C<4>,5|H<1>}	O(CC[5]CH)(H)	108.3960	0.000	1	108.3960	0.000	1	108.8297	0.145	3	108.5910	3.955	24	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(CCCH)(OH)(H)	C[5](C[5]C[5]HH)2(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]2H)(CCCH)(OH)(H)	C[5](C[5]C[5]HH)2(CCHO)(H){1|C<4>,3|H<1>}	O(CC[5]CH)(H)	111.9840	0.000	1	111.9840	0.000	1	108.4516	5.330	14	108.5910	3.955	24	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(CCHH)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]2H)(CCHH)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CCHO)(H){1|C<4>,1|N<3>,2|H<1>}	O(CC[5]CH)(H)	106.2180	0.000	1	106.2180	0.000	1	108.4516	5.330	14	108.5910	3.955	24	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(CCHH)(OH)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]2H)(CCHH)(OH)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	O(CC[5]CH)(H)	105.4200	0.000	1	106.4840	2.264	2	108.4516	5.330	14	108.5910	3.955	24	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(CCHH)(OH)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]2H)(CCHH)(OH)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHO)(H){1|H<1>,1|O<1>,2|C<4>}	O(CC[5]CH)(H)	107.5480	0.000	1	106.4840	2.264	2	108.4516	5.330	14	108.5910	3.955	24	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(CCHH)(OH)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]2H)(CCHH)(OH)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(CCHO)(H){1|H<1>,1|O<1>,2|C<4>}	O(CC[5]CH)(H)	106.8170	0.000	1	106.8170	0.000	1	108.4516	5.330	14	108.5910	3.955	24	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(CCHO)(OH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]2H)(CCHO)(OH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCHO)(H){1|O<1>}	O(CC[5]CH)(H)	109.5000	0.742	2	109.5000	0.551	2	108.4516	5.330	14	108.5910	3.955	24	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(CC[5]HO)(OH)(H)	C[5](C[5]C[5]HH)2(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]2H)(CC[5]HO)(OH)(H)	C[5](C[5]C[5]HH)2(CCHO)(H){4|H<1>}	O(CC[5]CH)(H)	111.5040	0.810	2	111.5040	0.657	2	108.4516	5.330	14	108.5910	3.955	24	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(CH3)(OH)(H)	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]2H)(CH3)(OH)(H)	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(CCHO)(H){1|C<3>,1|N<2>}	O(CC[5]CH)(H)	105.5240	0.000	1	105.5240	0.000	1	108.4516	5.330	14	108.5910	3.955	24	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(CH3)(OH)(H)	C[5](C[5]C[5]CN)(C[5]C[5]HH)(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]2H)(CH3)(OH)(H)	C[5](C[5]C[5]CN)(C[5]C[5]HH)(CCHO)(H){4|H<1>}	O(CC[5]CH)(H)	110.0180	0.000	1	110.0180	0.000	1	108.4516	5.330	14	108.5910	3.955	24	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(CH3)(OH)(H)	C[5](C[5]C[5a]O[5]H)(C[5]C[5]ReH)(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]2H)(CH3)(OH)(H)	C[5](C[5]C[5a]O[5]H)(C[5]C[5]ReH)(CCHO)(H){1|C<3>,1|C<4>,1|O<2>}	O(CC[5]CH)(H)	109.0580	0.000	1	109.0580	0.000	1	108.4516	5.330	14	108.5910	3.955	24	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(CHHO)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]2H)(CHHO)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCHO)(H){2|H<1>}	O(CC[5]CH)(H)	107.4420	0.000	1	107.4420	0.000	1	108.4516	5.330	14	108.5910	3.955	24	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(CHHO)(OH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CCHO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]2H)(CHHO)(OH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CCHO)(H){1|C<4>,1|O<1>}	O(CC[5]CH)(H)	106.2850	0.000	1	106.2850	0.000	1	108.4516	5.330	14	108.5910	3.955	24	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2C)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CC[5]HO)(H)	O(CC[5]2H)(H)	C(C[5]C[5]2C)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CC[5]HO)(H){1|O<1>}	O(CC[5]2H)(H)	107.3300	0.000	1	107.3300	0.000	1	108.3970	2.835	3	108.5910	3.955	24	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)2(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[5]HO)(H)	O(CC[5]2H)(H)	C(C[5]C[5]2H)2(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[5]HO)(H){4|H<1>}	O(CC[5]2H)(H)	110.3380	0.000	1	110.3380	0.000	1	108.3970	2.835	3	108.5910	3.955	24	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)2(OH)(H)	C[5](C[5]C[5]HH)2(CC[5]HO)(H)	O(CC[5]2H)(H)	C(C[5]C[5]2H)2(OH)(H)	C[5](C[5]C[5]HH)2(CC[5]HO)(H){4|H<1>}	O(CC[5]2H)(H)	107.5230	0.000	1	107.5230	0.000	1	108.3970	2.835	3	108.5910	3.955	24	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[5,6]C[6]H)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6]HO)(H)	O(CC[5]C[6]H)(H)	C(C[6]C[5,6]C[6]H)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6]HO)(H){1|O<1>,2|C<4>}	O(CC[5]C[6]H)(H)	110.6820	0.000	1	110.6820	0.000	1	110.6820	0.000	1	108.5910	3.955	24	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:4:4:1:	4:2:	C[6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:O-2:	C(C[6]C[3,6]C[5,6]H)(C[5]C[5]2H)(OO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6]HO)(H)	O(CC[5]C[6]H)(OH)	C(C[6]C[3,6]C[5,6]H)(C[5]C[5]2H)(OO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6]HO)(H){1|C<3>,1|C<4>,2|H<1>}	O(CC[5]C[6]H)(OH)	110.0200	0.000	1	110.0200	0.000	1	110.0200	0.000	1	110.0200	0.000	1	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:C-4:	C(C[5]C[5]2H)(CH3)(OC)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHO)(H)	O(CC[5]CH)(CCCH)	C(C[5]C[5]2H)(CH3)(OC)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHO)(H){1|S<4>,2|H<1>}	O(CC[5]CH)(CCCH)	110.7105	0.892	2	110.7105	0.795	2	108.6183	13.529	3	107.6872	4.576	8	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:C-4:	C(C[5]C[5]2H)(CH3)(OC)(H)	C[5](C[5]C[5]CN)(C[5]N[5]CH)(CCHO)(H)	O(CC[6a]HH)(CC[5]CH)	C(C[5]C[5]2H)(CH3)(OC)(H)	C[5](C[5]C[5]CN)(C[5]N[5]CH)(CCHO)(H){1|C<3>,2|H<1>}	O(CC[6a]HH)(CC[5]CH)	104.4340	0.000	1	104.4340	0.000	1	108.6183	13.529	3	107.6872	4.576	8	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:Si-4:	C(C[5]C[5]2H)(CC3)(OSi)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCHO)(H)	O(CC[5]CH)(SiSi3)	C(C[5]C[5]2H)(CC3)(OSi)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCHO)(H){1|C<4>,3|H<1>}	O(CC[5]CH)(SiSi3)	107.8870	0.000	1	107.8870	0.000	1	107.1170	0.271	4	107.6872	4.576	8	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:Si-4:	C(C[5]C[5]2H)(CCHH)(OSi)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(CCHO)(H)	O(CC[5]CH)(SiC3)	C(C[5]C[5]2H)(CCHH)(OSi)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(CCHO)(H){1|O<1>,2|C<3>}	O(CC[5]CH)(SiC3)	106.9820	0.000	1	106.9820	0.000	1	107.1170	0.271	4	107.6872	4.576	8	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:Si-4:	C(C[5]C[5]2H)(CC[6a]CH)(OSi)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCHO)(H)	O(CC[5]CH)(SiSi3)	C(C[5]C[5]2H)(CC[6a]CH)(OSi)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCHO)(H){1|C<3>,3|H<1>}	O(CC[5]CH)(SiSi3)	106.7995	0.025	2	106.7995	0.001	2	107.1170	0.271	4	107.6872	4.576	8	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	Si-4:C-4:	C(C[5]C[5]2H)(CH3)(OSi)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(CCHO)(H)	O(SiC[6a]2C)(CC[5]CH)	C(C[5]C[5]2H)(CH3)(OSi)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(CCHO)(H){1|C<3>,1|C<4>,1|H<1>}	O(SiC[6a]2C)(CC[5]CH)	107.1750	0.000	1	107.1750	0.000	1	107.1750	0.000	1	107.6872	4.576	8	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:4:4:2:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C-4:H-1:	C(C[5]C[5,6]C[5]O)(CH3)(OH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHO)(OH)	O(CC[5]CH)(H)	C(C[5]C[5,6]C[5]O)(CH3)(OH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHO)(OH){2|C<4>,2|O<2>,3|H<1>}	O(CC[5]CH)(H)	109.9520	0.000	1	109.9520	0.000	1	110.2335	2.492	4	108.9061	2.654	23	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:4:4:2:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C-4:H-1:	C(C[5]C[5,6]C[5]O)(CHHO)(OH)(H)	C[5](C[5,6]C[5a,6]N[5,6]H)(C[5]C[5]HH)(CCHO)(OH)	O(CC[5]CH)(H)	C(C[5]C[5,6]C[5]O)(CHHO)(OH)(H)	C[5](C[5,6]C[5a,6]N[5,6]H)(C[5]C[5]HH)(CCHO)(OH){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	O(CC[5]CH)(H)	110.3273	1.920	3	110.3273	3.685	3	110.2335	2.492	4	108.9061	2.654	23	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:4:4:2:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:H-1:	C(C[5]C[5]2O)(CC[3x5]HH)(OH)(H)	C[5](C[5]C[3,5]C[5]H)(C[5]C[3,5]CC)(CCHO)(OH)	O(CC[5]CH)(H)	C(C[5]C[5]2O)(CC[3x5]HH)(OH)(H)	C[5](C[5]C[3,5]C[5]H)(C[5]C[3,5]CC)(CCHO)(OH){2|C<4>,2|H<1>,2|O<2>}	O(CC[5]CH)(H)	110.9250	0.208	2	110.9250	0.043	2	108.6267	2.355	19	108.9061	2.654	23	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:4:4:2:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:H-1:	C(C[5]C[5]2O)(CC[5,6]HH)(OH)(H)	C[5](C[5]C[3,5]CC)(C[5]C[3,5]CH)(CCHO)(OH)	O(CC[5]CH)(H)	C(C[5]C[5]2O)(CC[5,6]HH)(OH)(H)	C[5](C[5]C[3,5]CC)(C[5]C[3,5]CH)(CCHO)(OH){1|O<2>,2|H<1>}	O(CC[5]CH)(H)	107.6285	1.121	6	107.6285	1.257	6	108.6267	2.355	19	108.9061	2.654	23	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:4:4:2:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:H-1:	C(C[5]C[5]2O)(CC[5,6]HH)(OH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHO)(OH)	O(CC[5]CH)(H)	C(C[5]C[5]2O)(CC[5,6]HH)(OH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHO)(OH){1|O<2>,3|H<1>}	O(CC[5]CH)(H)	109.1935	1.153	8	108.7533	1.934	11	108.6267	2.355	19	108.9061	2.654	23	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:4:4:2:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:H-1:	C(C[5]C[5]2O)(CC[5,6]HH)(OH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHO)(OH)	O(CC[5]CH)(H)	C(C[5]C[5]2O)(CC[5,6]HH)(OH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHO)(OH){2|H<1>,2|O<2>}	O(CC[5]CH)(H)	107.5793	1.476	3	108.7533	1.934	11	108.6267	2.355	19	108.9061	2.654	23	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:4:4:2:	4:4:	C[5]-4:C-4:O-2:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	C-4:C-4:	C(C[5]C[5,5]C[5]O)(CC[6a]HH)(OC)(H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]CH)(CCHO)(OH)	O(CC[5]CH)(CH3)	C(C[5]C[5,5]C[5]O)(CC[6a]HH)(OC)(H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]CH)(CCHO)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	O(CC[5]CH)(CH3)	108.7400	2.568	2	108.7400	6.596	2	108.7400	6.596	2	106.9588	6.980	4	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:4:4:2:	4:4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:C-4:	C(C[5]C[5]2O)(CCHH)(OC)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CCHO)(OH)	O(CC[5]CH)(CH3)	C(C[5]C[5]2O)(CCHH)(OC)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CCHO)(OH){1|H<1>,1|O<1>}	O(CC[5]CH)(CH3)	104.2680	0.000	1	104.2680	0.000	1	105.1775	1.654	2	106.9588	6.980	4	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:4:4:2:	4:4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:C-4:	C(C[5]C[5]2O)(CC[5,6]HH)(OC)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHO)(OC)	O(CC[5]CH)(CHHO)	C(C[5]C[5]2O)(CC[5,6]HH)(OC)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHO)(OC){1|O<1>,2|H<1>}	O(CC[5]CH)(CHHO)	106.0870	0.000	1	106.0870	0.000	1	105.1775	1.654	2	106.9588	6.980	4	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:4:4:3:	4:1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C-4:C-3:	C-4:H-1:	C(C[5]C[5,5]C[5]C)(C[5]C[5]2Fe)(OH)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(CC[5]HO)(COO)	O(CC[5]2H)(H)	C(C[5]C[5,5]C[5]C)(C[5]C[5]2Fe)(OH)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(CC[5]HO)(COO){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	O(CC[5]2H)(H)	110.3170	0.000	1	110.3170	0.000	1	110.3170	0.000	1	110.3170	0.000	1	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:4:4:4:	4:1:	C[3]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:H-1:	C(C[3]C[3]2H)(C[5]C[5]2C)(OH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CC[3]HO)(CHHO)	O(CC[3]C[5]H)(H)	C(C[3]C[3]2H)(C[5]C[5]2C)(OH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CC[3]HO)(CHHO){1|O<2>,3|H<1>}	O(CC[3]C[5]H)(H)	108.8210	0.000	1	108.8210	0.000	1	108.8210	0.000	1	108.1390	4.553	4	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:H-1:	C(C[5]C[5]2C)(CCHH)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCHO)(CH3)	O(CC[5]CH)(H)	C(C[5]C[5]2C)(CCHH)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCHO)(CH3){1|C<3>,3|H<1>}	O(CC[5]CH)(H)	110.6370	0.000	1	110.6370	0.000	1	108.1060	12.812	2	108.1390	4.553	4	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:H-1:	C(C[5]C[5]2C)(CC[3,5]HH)(OH)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CCHO)(CH3)	O(CC[5]CH)(H)	C(C[5]C[5]2C)(CC[3,5]HH)(OH)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CCHO)(CH3){1|O<1>}	O(CC[5]CH)(H)	105.5750	0.000	1	105.5750	0.000	1	108.1060	12.812	2	108.1390	4.553	4	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:N[5]-4:C-4:C-4:	C-4:H-1:	C(C[5]C[5]N[5]C)(CHHO)(OH)(H)	C[5](C[5]C[5]HH)(N[5]O[5]CH)(CCHO)(CH3)	O(CC[5]CH)(H)	C(C[5]C[5]N[5]C)(CHHO)(OH)(H)	C[5](C[5]C[5]HH)(N[5]O[5]CH)(CCHO)(CH3){2|H<1>}	O(CC[5]CH)(H)	107.5230	0.000	1	107.5230	0.000	1	107.5230	0.000	1	108.1390	4.553	4	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:4:4:4:	4:4:	C[5]-4:C-4:O-2:H-1:	C[5,5]-4:C[5]-4:C-4:C-4:	C-4:S-4:	C(C[5]C[5,5]C[5]C)(CCHH)(OS)(H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]HH)(CCHO)(CH3)	O(CC[5]CH)(SCOO)	C(C[5]C[5,5]C[5]C)(CCHH)(OS)(H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]HH)(CCHO)(CH3){1|C<4>,2|H<1>,3|C<3>}	O(CC[5]CH)(SCOO)	108.8670	0.000	1	108.8670	0.000	1	108.8670	0.000	1	111.0037	3.674	3	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:1:	4:4:4:4:	4:4:	C[5]-4:C-4:O-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-4:	C-4:C-4:	C(C[5]C[5,5]C[5]2)(CCHH)(OC)(H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]O[5]C)(C[5]C[5]HH)(CCHO)	O(CC[5]CH)(CHHO)	C(C[5]C[5,5]C[5]2)(CCHH)(OC)(H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]O[5]C)(C[5]C[5]HH)(CCHO){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	O(CC[5]CH)(CHHO)	112.0720	0.707	2	112.0720	0.500	2	112.0720	0.500	2	111.0037	3.674	3	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:2:	4:2:4:1:	4:1:	C[5]-4:C-4:C-2:O-2:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CH3)(CC)(OH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H)	O(CC[5]CC)(H)	C(C[5]C[5]O[5]H)(CH3)(CC)(OH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H){1|C<4>,3|H<1>}	O(CC[5]CC)(H)	104.4930	0.000	1	104.4930	0.000	1	104.4930	0.000	1	106.1280	9.954	3	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:2:2:	4:2:4:1:	4:1:	C[5]-4:C-4:O-2:O-2:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CF3)(OH)2	C[5](C[5]O[5]CH)(O[5]C[5])(CCOO)(H)	O(CC[5]CO)(H)	C(C[5]C[5]O[5]H)(CF3)(OH)2	C[5](C[5]O[5]CH)(O[5]C[5])(CCOO)(H){2|C<4>}	O(CC[5]CO)(H)	106.9455	3.987	2	106.9455	15.899	2	106.9455	15.899	2	106.1280	9.954	3	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:3:2:	3:3:4:1:	4:1:	C[5]-4:C-4:C-3:O-2:	C[5]-3:C[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(CBrCH)(COO)(OH)	C[5](C[5]C[5]H)(C[5]O[5]O)(CCCO)(H)	O(CC[5]CC)(H)	C(C[5]C[5]2H)(CBrCH)(COO)(OH)	C[5](C[5]C[5]H)(C[5]O[5]O)(CCCO)(H){1|C<4>}	O(CC[5]CC)(H)	106.2940	0.000	1	106.2940	0.000	1	106.2940	0.000	1	106.2940	0.000	1	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:3:2:	4:2:4:1:	4:1:	C[5]-4:C-4:C-3:O-2:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CCHH)(CCH)(OH)	C[5](C[5]C[5]O[5]C)(O[5]C[5])(CCCO)(H)	O(CC[5]CC)(H)	C(C[5]C[5]O[5]H)(CCHH)(CCH)(OH)	C[5](C[5]C[5]O[5]C)(O[5]C[5])(CCCO)(H){1|C<3>,3|C<4>}	O(CC[5]CC)(H)	110.5690	0.000	1	110.5690	0.000	1	109.8033	2.035	4	109.8033	2.035	4	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:3:2:	4:2:4:1:	4:1:	C[5]-4:C-4:C-3:O-2:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CH3)(COO)(OH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H)	O(CC[5]CC)(H)	C(C[5]C[5]O[5]H)(CH3)(COO)(OH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H){1|C<4>,3|H<1>}	O(CC[5]CC)(H)	107.7000	0.000	1	107.7000	0.000	1	109.8033	2.035	4	109.8033	2.035	4	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:3:2:	4:2:4:1:	4:1:	C[5]-4:C-4:C-3:O-2:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CHHN)(COO)(OH)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CCCO)(H)	O(CC[5]CC)(H)	C(C[5]C[5]O[5]H)(CHHN)(COO)(OH)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CCCO)(H){1|H<1>,1|O<2>,3|C<4>}	O(CC[5]CC)(H)	110.4720	0.448	2	110.4720	0.201	2	109.8033	2.035	4	109.8033	2.035	4	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:3:2:	4:2:4:1:	4:4:	C[5]-4:C-4:C-3:O-2:	C[5]-4:O[5]-2:C-4:H-1:	C-4:C-4:	C(C[5]C[5]O[5]H)(CH3)(CCH)(OC)	C[5](C[5]C[6]O[5]H)(O[5]C[5])(CCCO)(H)	O(CC[6a]HH)(CC[5]CC)	C(C[5]C[5]O[5]H)(CH3)(CCH)(OC)	C[5](C[5]C[6]O[5]H)(O[5]C[5])(CCCO)(H){1|H<1>,4|C<4>}	O(CC[6a]HH)(CC[5]CC)	102.5770	0.000	1	102.5770	0.000	1	102.5770	0.000	1	102.5770	0.000	1	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:3:2:	4:3:4:2:	4:1:	C[5]-4:C-4:C-3:O-2:	C[5]-4:S[5]-3:C-4:S-2:	C-4:H-1:	C(C[5]C[5]S[5]S)(CH3)(CCO)(OH)	C[5](C[5]C[5]HH)(S[5]C[5]O)(CCCO)(SC)	O(CC[5]CC)(H)	C(C[5]C[5]S[5]S)(CH3)(CCO)(OH)	C[5](C[5]C[5]HH)(S[5]C[5]O)(CCCO)(SC){4|H<1>}	O(CC[5]CC)(H)	105.0020	0.000	1	105.0020	0.000	1	105.0020	0.000	1	105.0020	0.000	1	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:3:2:	4:4:2:1:	4:4:	C[5]-4:C[6]-4:C[6a]-3:O-2:	C-4:C[5]-4:O[5]-2:H-1:	C-4:P-4:	C(C[5]C[5]O[5]H)(C[6]C[6]2Pd)(C[6a]C[6a]2)(OP)	C[5](CC[6a]C[6]O)(C[5]O[5]CH)(O[5]C[5])(H)	O(CC[6a]C[5]C[6])(PN[6]PdO)	C(C[5]C[5]O[5]H)(C[6]C[6]2Pd)(C[6a]C[6a]2)(OP)	C[5](CC[6a]C[6]O)(C[5]O[5]CH)(O[5]C[5])(H){2|C<4>}	O(CC[6a]C[5]C[6])(PN[6]PdO)	104.9380	0.000	1	104.9380	0.000	1	104.9380	0.000	1	104.9380	0.000	1	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:3:2:	4:4:4:1:	4:1:	C[5]-4:C-4:C-3:O-2:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5,6]C[5]H)(CH3)(CCH)(OH)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCO)(H)	O(CC[5]CC)(H)	C(C[5]C[5,6]C[5]H)(CH3)(CCH)(OH)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCO)(H){1|C<3>,1|C<4>,5|H<1>}	O(CC[5]CC)(H)	108.4105	0.064	2	108.4105	0.004	2	108.4105	0.004	2	106.8070	3.208	5	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:3:2:	4:4:4:1:	4:1:	C[5]-4:C-4:C-3:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(CH3)(COO)(OH)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HH)(CCCO)(H)	O(CC[5]CC)(H)	C(C[5]C[5]2H)(CH3)(COO)(OH)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HH)(CCCO)(H){1|C<4>,1|H<1>,2|C<3>}	O(CC[5]CC)(H)	107.2620	0.000	1	107.2620	0.000	1	105.7380	2.129	3	106.8070	3.208	5	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:3:2:	4:4:4:1:	4:1:	C[5]-4:C-4:C-3:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(CHHO)(CCO)(OH)	C[5](C[5]C[5]HH)2(CCCO)(H)	O(CC[5]CC)(H)	C(C[5]C[5]2H)(CHHO)(CCO)(OH)	C[5](C[5]C[5]HH)2(CCCO)(H){2|C<4>,2|H<1>}	O(CC[5]CC)(H)	104.9760	0.880	2	104.9760	0.774	2	105.7380	2.129	3	106.8070	3.208	5	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:4:2:	3:2:4:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C[5]-3:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CH3)2(OH)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CCCO)(H)	O(CC[5]CC)(H)	C(C[5]C[5]O[5]H)(CH3)2(OH)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CCCO)(H){2|C<3>}	O(CC[5]CC)(H)	109.1590	0.000	1	109.1590	0.000	1	109.1590	0.000	1	109.1590	0.000	1	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:4:2:	3:3:4:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C[5,6a]-3:N[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5,6a]N[5]H)(CCHH)(CH3)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCCO)(H)	O(CC[5]CC)(H)	C(C[5]C[5,6a]N[5]H)(CCHH)(CH3)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCCO)(H){1|O<1>,1|O<2>,2|C<3>}	O(CC[5]CC)(H)	109.2560	0.000	1	109.2560	0.000	1	109.2560	0.000	1	109.2560	0.000	1	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:4:2:	3:4:4:1:	4:1:	C[5]-4:C-4:C-4:O-2:	N[5]-3:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(CCHH)(CH3)(OH)	C[5](N[5]C[4]C[5])(C[5]C[5]HH)(CCCO)(H)	O(CC[5]CC)(H)	C(C[5]C[5]N[5]H)(CCHH)(CH3)(OH)	C[5](N[5]C[4]C[5])(C[5]C[5]HH)(CCCO)(H){1|O<1>,2|C<4>,3|H<1>}	O(CC[5]CC)(H)	102.3000	0.000	1	102.3000	0.000	1	102.3000	0.000	1	102.3000	0.000	1	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:4:2:	4:2:2:4:	4:1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:O-2:O[5]-2:C-4:	C-4:H-1:	C(C[5]C[5]O[5]O)(CH3)2(OH)	C[5](C[5]C[5]HH)(OC[5,3x6])(O[5]C[5])(CCCO)	O(CC[5]CC)(H)	C(C[5]C[5]O[5]O)(CH3)2(OH)	C[5](C[5]C[5]HH)(OC[5,3x6])(O[5]C[5])(CCCO){1|H<1>,3|C<4>}	O(CC[5]CC)(H)	106.2850	0.000	1	106.2850	0.000	1	106.2850	0.000	1	106.2850	0.000	1	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:4:2:	4:2:4:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5,5]O[5]H)(CH3)2(OH)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCCO)(H)	O(CC[5]CC)(H)	C(C[5]C[5,5]O[5]H)(CH3)2(OH)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCCO)(H){1|C<4>,2|H<1>,2|O<2>}	O(CC[5]CC)(H)	106.7900	0.000	1	106.7900	0.000	1	106.7900	0.000	1	108.0667	8.152	75	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:4:2:	4:2:4:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C[5,6]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5,6]O[5]H)(CCHH)(CH3)(OH)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCCO)(H)	O(CC[5]CC)(H)	C(C[5]C[5,6]O[5]H)(CCHH)(CH3)(OH)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCCO)(H){1|C<3>,3|C<4>,3|H<1>}	O(CC[5]CC)(H)	106.3305	5.055	4	106.5612	15.494	6	106.5612	15.494	6	108.0667	8.152	75	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:4:2:	4:2:4:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C[5,6]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5,6]O[5]H)(CCHH)(CH3)(OH)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCCO)(H)	O(CC[5]CC)(H)	C(C[5]C[5,6]O[5]H)(CCHH)(CH3)(OH)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCCO)(H){2|C<3>,2|C<4>,3|H<1>}	O(CC[5]CC)(H)	107.0225	0.401	2	106.5612	15.494	6	106.5612	15.494	6	108.0667	8.152	75	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:4:2:	4:2:4:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CCFF)2(OH)	C[5](C[5]O[5]CH)(O[5]C[5])(CCCO)(H)	O(CC[5]CC)(H)	C(C[5]C[5]O[5]H)(CCFF)2(OH)	C[5](C[5]O[5]CH)(O[5]C[5])(CCCO)(H){2|C<4>}	O(CC[5]CC)(H)	107.9183	4.413	9	107.9183	19.475	9	108.2183	7.596	68	108.0667	8.152	75	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:4:2:	4:2:4:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CCHH)(CH3)(OH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H)	O(CC[5]CC)(H)	C(C[5]C[5]O[5]H)(CCHH)(CH3)(OH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H){2|C<4>,2|H<1>}	O(CC[5]CC)(H)	106.6010	2.005	2	106.6010	4.021	2	108.2183	7.596	68	108.0667	8.152	75	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:4:2:	4:2:4:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CCHH)2(OH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H)	O(CC[5]CC)(H)	C(C[5]C[5]O[5]H)(CCHH)2(OH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H){1|C<4>,3|H<1>}	O(CC[5]CC)(H)	109.9050	0.000	1	109.9050	0.000	1	108.2183	7.596	68	108.0667	8.152	75	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:4:2:	4:2:4:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CC[5]HH)(CH3)(OH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H)	O(CC[5]CC)(H)	C(C[5]C[5]O[5]H)(CC[5]HH)(CH3)(OH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H){1|C<4>,1|O<2>,2|H<1>}	O(CC[5]CC)(H)	106.3420	0.000	1	106.3420	0.000	1	108.2183	7.596	68	108.0667	8.152	75	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:4:2:	4:2:4:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CF3)2(OH)	C[5](C[5]O[5]CH)(O[5]C[5])(CCCO)(H)	O(CC[5]CC)(H)	C(C[5]C[5]O[5]H)(CF3)2(OH)	C[5](C[5]O[5]CH)(O[5]C[5])(CCCO)(H){2|C<4>}	O(CC[5]CC)(H)	108.3729	3.112	7	108.3729	9.683	7	108.2183	7.596	68	108.0667	8.152	75	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:4:2:	4:2:4:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CH3)2(OH)	C[5](C[5]C[5,3x6]HH)(O[5]C[5,6])(CCCO)(H)	O(CC[5]CC)(H)	C(C[5]C[5]O[5]H)(CH3)2(OH)	C[5](C[5]C[5,3x6]HH)(O[5]C[5,6])(CCCO)(H){1|C<3>,2|C<4>}	O(CC[5]CC)(H)	109.5050	0.000	1	109.5050	0.000	1	108.2183	7.596	68	108.0667	8.152	75	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:4:2:	4:2:4:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CH3)2(OH)	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(CCCO)(H)	O(CC[5]CC)(H)	C(C[5]C[5]O[5]H)(CH3)2(OH)	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(CCCO)(H){1|C<4>,2|C<3>}	O(CC[5]CC)(H)	107.4397	1.463	3	107.4397	2.139	3	108.2183	7.596	68	108.0667	8.152	75	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:4:2:	4:2:4:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CH3)2(OH)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCCO)(H)	O(CC[5]CC)(H)	C(C[5]C[5]O[5]H)(CH3)2(OH)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCCO)(H){1|C<3>,1|C<4>}	O(CC[5]CC)(H)	105.1317	1.189	3	105.3100	1.069	4	108.2183	7.596	68	108.0667	8.152	75	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:4:2:	4:2:4:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CH3)2(OH)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCCO)(H)	O(CC[5]CC)(H)	C(C[5]C[5]O[5]H)(CH3)2(OH)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCCO)(H){1|H<1>,1|O<2>,2|C<4>}	O(CC[5]CC)(H)	105.8450	0.000	1	105.3100	1.069	4	108.2183	7.596	68	108.0667	8.152	75	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:4:2:	4:2:4:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CH3)2(OH)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCCO)(H)	O(CC[5]CC)(H)	C(C[5]C[5]O[5]H)(CH3)2(OH)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCCO)(H){2|C<3>}	O(CC[5]CC)(H)	108.2945	2.293	4	108.2945	5.259	4	108.2183	7.596	68	108.0667	8.152	75	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:4:2:	4:2:4:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CH3)2(OH)	C[5](C[5]C[5,6a]HO)(O[5]C[5,6a])(CCCO)(H)	O(CC[5]CC)(H)	C(C[5]C[5]O[5]H)(CH3)2(OH)	C[5](C[5]C[5,6a]HO)(O[5]C[5,6a])(CCCO)(H){2|C<3>}	O(CC[5]CC)(H)	110.1050	0.686	2	110.1050	0.470	2	108.2183	7.596	68	108.0667	8.152	75	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:4:2:	4:2:4:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CH3)2(OH)	C[5](C[5]C[5]HH)(O[5]C[5,6])(CCCO)(H)	O(CC[5]CC)(H)	C(C[5]C[5]O[5]H)(CH3)2(OH)	C[5](C[5]C[5]HH)(O[5]C[5,6])(CCCO)(H){1|C<4>,1|H<1>,2|C<3>}	O(CC[5]CC)(H)	110.1540	0.000	1	110.1540	0.000	1	108.2183	7.596	68	108.0667	8.152	75	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:4:2:	4:2:4:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CH3)2(OH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H)	O(CC[5]CC)(H)	C(C[5]C[5]O[5]H)(CH3)2(OH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H){1|C<3>,1|C<4>,2|H<1>}	O(CC[5]CC)(H)	108.6520	0.000	1	108.8464	5.875	25	108.2183	7.596	68	108.0667	8.152	75	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:4:2:	4:2:4:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CH3)2(OH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H)	O(CC[5]CC)(H)	C(C[5]C[5]O[5]H)(CH3)2(OH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H){1|C<4>,3|H<1>}	O(CC[5]CC)(H)	109.5580	0.521	6	108.8464	5.875	25	108.2183	7.596	68	108.0667	8.152	75	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:4:2:	4:2:4:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CH3)2(OH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H)	O(CC[5]CC)(H)	C(C[5]C[5]O[5]H)(CH3)2(OH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H){2|C<4>,2|H<1>}	O(CC[5]CC)(H)	108.6201	2.825	18	108.8464	5.875	25	108.2183	7.596	68	108.0667	8.152	75	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:4:2:	4:2:4:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CH3)2(OH)	C[5](C[5]O[5]CH)(O[5]C[5])(CCCO)(H)	O(CC[5]CC)(H)	C(C[5]C[5]O[5]H)(CH3)2(OH)	C[5](C[5]O[5]CH)(O[5]C[5])(CCCO)(H){2|C<4>}	O(CC[5]CC)(H)	106.0075	1.737	4	106.0075	3.016	4	108.2183	7.596	68	108.0667	8.152	75	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:4:2:	4:2:4:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CHHN)(CHHO)(OH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCCO)(H)	O(CC[5]CC)(H)	C(C[5]C[5]O[5]H)(CHHN)(CHHO)(OH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCCO)(H){2|H<1>,2|O<2>}	O(CC[5]CC)(H)	112.9300	0.000	1	112.9300	0.000	1	108.2183	7.596	68	108.0667	8.152	75	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:4:2:	4:2:4:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CHHO)(CH3)(OH)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCCO)(H)	O(CC[5]CC)(H)	C(C[5]C[5]O[5]H)(CHHO)(CH3)(OH)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCCO)(H){2|C<3>}	O(CC[5]CC)(H)	107.6265	1.554	2	107.6265	2.413	2	108.2183	7.596	68	108.0667	8.152	75	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:4:2:	4:2:4:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:O[5]-2:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CHHO)(CH3)(OH)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCCO)(H)	O(CC[5]CC)(H)	C(C[5]C[5]O[5]H)(CHHO)(CH3)(OH)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCCO)(H){2|C<3>}	O(CC[5]CC)(H)	109.5380	0.000	1	109.5380	0.000	1	108.2183	7.596	68	108.0667	8.152	75	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:4:2:	4:2:4:2:	4:1:	C[5]-4:C-4:C-4:O-2:	C[5,6]-4:O[5]-2:C-4:O-2:	C-4:H-1:	C(C[5]C[5,6]O[5]O)(CC[5]HH)(CHHO)(OH)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCCO)(OH)	O(CC[5]CC)(H)	C(C[5]C[5,6]O[5]O)(CC[5]HH)(CHHO)(OH)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCCO)(OH){1|H<1>,1|O<2>,5|C<4>}	O(CC[5]CC)(H)	107.7660	0.000	1	107.7660	0.000	1	107.7660	0.000	1	107.2970	0.982	4	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:4:2:	4:2:4:2:	4:1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:O[5]-2:C-4:O-2:	C-4:H-1:	C(C[5]C[5]O[5]O)(CH3)2(OH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(OH)	O(CC[5]CC)(H)	C(C[5]C[5]O[5]O)(CH3)2(OH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(OH){2|C<4>,2|H<1>}	O(CC[5]CC)(H)	107.1407	1.151	3	107.1407	1.326	3	107.1407	1.326	3	107.2970	0.982	4	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:4:2:	4:2:4:4:	4:1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:O[5]-2:C-4:C-4:	C-4:H-1:	C(C[5]C[5]O[5]C)(CClHH)(CH3)(OH)	C[5](C[5]C[5]CH)(O[5]C[5])(CCCO)(CCHO)	O(CC[5]CC)(H)	C(C[5]C[5]O[5]C)(CClHH)(CH3)(OH)	C[5](C[5]C[5]CH)(O[5]C[5])(CCCO)(CCHO){1|O<1>,2|H<1>}	O(CC[5]CC)(H)	104.7995	0.490	2	104.7995	0.240	2	104.8793	0.139	3	104.8793	0.139	3	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:4:2:	4:2:4:4:	4:1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:O[5]-2:C-4:C-4:	C-4:H-1:	C(C[5]C[5]O[5]C)(CHHO)(CH3)(OH)	C[5](C[5]C[5]CH)(O[5]C[5])(CCCO)(CCHO)	O(CC[5]CC)(H)	C(C[5]C[5]O[5]C)(CHHO)(CH3)(OH)	C[5](C[5]C[5]CH)(O[5]C[5])(CCCO)(CCHO){1|O<1>,2|H<1>}	O(CC[5]CC)(H)	105.0390	0.000	1	105.0390	0.000	1	104.8793	0.139	3	104.8793	0.139	3	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:4:2:	4:3:4:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5,5,6]C[5]H)(CCHH)(CH3)(OH)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]2)(CCCO)(H)	O(CC[5]CC)(H)	C(C[5]C[5,5,6]C[5]H)(CCHH)(CH3)(OH)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]2)(CCCO)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	O(CC[5]CC)(H)	109.2170	0.000	1	109.2170	0.000	1	109.2170	0.000	1	107.9422	2.123	6	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:4:2:	4:3:4:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:C[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(CCHH)(CH3)(OH)	C[5](C[5]C[5]HH)(C[5]C[5]2)(CCCO)(H)	O(CC[5]CC)(H)	C(C[5]C[5]2H)(CCHH)(CH3)(OH)	C[5](C[5]C[5]HH)(C[5]C[5]2)(CCCO)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	O(CC[5]CC)(H)	107.7740	0.000	1	107.7740	0.000	1	106.7543	1.056	3	107.9422	2.123	6	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:4:2:	4:3:4:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:C[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(CH3)2(OH)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]C)(CCCO)(H)	O(CC[5]CC)(H)	C(C[5]C[5]2H)(CH3)2(OH)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]C)(CCCO)(H){2|C<3>}	O(CC[5]CC)(H)	106.7700	0.000	1	106.7700	0.000	1	106.7543	1.056	3	107.9422	2.123	6	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:4:2:	4:3:4:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:C[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(CH3)2(OH)	C[5](C[5]C[5]HH)(C[5]C[5]N)(CCCO)(H)	O(CC[5]CC)(H)	C(C[5]C[5]2H)(CH3)2(OH)	C[5](C[5]C[5]HH)(C[5]C[5]N)(CCCO)(H){1|C<3>,2|H<1>}	O(CC[5]CC)(H)	105.7190	0.000	1	105.7190	0.000	1	106.7543	1.056	3	107.9422	2.123	6	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:4:2:	4:3:4:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:N[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(CCHH)(CH3)(OH)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCCO)(H)	O(CC[5]CC)(H)	C(C[5]C[5]N[5]H)(CCHH)(CH3)(OH)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCCO)(H){2|C<4>}	O(CC[5]CC)(H)	109.2060	0.000	1	109.2060	0.000	1	109.0865	0.029	2	107.9422	2.123	6	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:4:2:	4:3:4:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:N[5]-3:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(CC[6a]HH)2(OH)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CCCO)(H)	O(CC[5]CC)(H)	C(C[5]C[5]N[5]H)(CC[6a]HH)2(OH)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CCCO)(H){2|C<3>}	O(CC[5]CC)(H)	108.9670	0.000	1	108.9670	0.000	1	109.0865	0.029	2	107.9422	2.123	6	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:4:2:	4:3:4:1:	4:2:	C[5]-4:C-4:C-4:O-2:	C[5]-4:N[5]-3:C-4:H-1:	C-4:O-2:	C(C[5]C[5]N[5]H)(CH3)2(OO)	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CCCO)(H)	O(CC[5]CC)(ONi)	C(C[5]C[5]N[5]H)(CH3)2(OO)	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CCCO)(H){1|C<3>}	O(CC[5]CC)(ONi)	104.3700	0.000	1	104.3700	0.000	1	104.3700	0.000	1	104.3700	0.000	1	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:4:2:	4:3:4:1:	4:4:	C[5]-4:C-4:C-4:O-2:	C[5]-4:N[5]-3:C-4:H-1:	C-4:C-4:	C(C[5]C[5]N[5]H)(CCHH)2(OC)	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CCCO)(H)	O(CC[5]CC)(CH3)	C(C[5]C[5]N[5]H)(CCHH)2(OC)	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CCCO)(H){1|C<4>}	O(CC[5]CC)(CH3)	108.9400	0.000	1	108.9400	0.000	1	105.3095	26.361	2	105.3095	26.361	2	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:4:2:	4:3:4:1:	4:4:	C[5]-4:C-4:C-4:O-2:	C[5]-4:N[5]-3:C-4:H-1:	C-4:C-4:	C(C[5]C[5]N[5]H)(CH3)2(OC)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCO)(H)	O(CC[6a]HH)(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(OC)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCO)(H){2|C<3>,2|H<1>}	O(CC[6a]HH)(CC[5]CC)	101.6790	0.000	1	101.6790	0.000	1	105.3095	26.361	2	105.3095	26.361	2	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:4:2:	4:3:4:2:	4:1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:C[5]-3:C-4:O-2:	C-4:H-1:	C(C[5]C[5]2O)(CCHH)(CH3)(OH)	C[5](C[5]C[5]HH)(C[5]C[5]2)(CCCO)(OH)	O(CC[5]CC)(H)	C(C[5]C[5]2O)(CCHH)(CH3)(OH)	C[5](C[5]C[5]HH)(C[5]C[5]2)(CCCO)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	O(CC[5]CC)(H)	105.2460	0.000	1	105.2460	0.000	1	105.2460	0.000	1	105.2460	0.000	1	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:4:2:	4:3:4:4:	4:1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:C[5]-3:C-4:C-4:	C-4:H-1:	C(C[5]C[5]2C)(CH3)2(OH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6]HO)(CCCO)	O(CC[5]CC)(H)	C(C[5]C[5]2C)(CH3)2(OH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6]HO)(CCCO){1|C<4>,1|H<1>,1|O<2>}	O(CC[5]CC)(H)	105.6160	0.000	1	105.6160	0.000	1	105.6160	0.000	1	105.6160	0.000	1	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:4:2:	4:4:3:4:	4:1:	C[5]-4:P-4:P-4:O-2:	C[5]-4:C[5]-4:N[5]-3:C-4:	C-4:H-1:	C(C[5]C[5]2N[5])(PO3)2(OH)	C[5](C[5]C[5]HH)2(N[5]C[5]2)(COPP)	O(CC[5]PP)(H)	C(C[5]C[5]2N[5])(PO3)2(OH)	C[5](C[5]C[5]HH)2(N[5]C[5]2)(COPP){1|C<3>,1|N<3>,6|H<1>}	O(CC[5]PP)(H)	104.4970	0.000	1	104.4970	0.000	1	104.4970	0.000	1	104.4970	0.000	1	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5,5]C[5]H)(CCHH)(CH3)(OH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(CCCO)(H)	O(CC[5]CC)(H)	C(C[5]C[5,5]C[5]H)(CCHH)(CH3)(OH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(CCCO)(H){1|O<2>,2|C<4>,2|H<1>}	O(CC[5]CC)(H)	107.5740	0.000	1	107.5740	0.000	1	109.0910	4.603	2	106.5809	10.717	45	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5,5]C[5]H)(CH3)2(OH)	C[5](C[5,5]C[5]3)(C[5]N[5]HH)(CCCO)(H)	O(CC[5]CC)(H)	C(C[5]C[5,5]C[5]H)(CH3)2(OH)	C[5](C[5,5]C[5]3)(C[5]N[5]HH)(CCCO)(H){1|O<1>,1|S<4>,2|C<3>,4|H<1>}	O(CC[5]CC)(H)	110.6080	0.000	1	110.6080	0.000	1	109.0910	4.603	2	106.5809	10.717	45	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(OH)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCCO)(H)	O(CC[5]CC)(H)	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(OH)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCCO)(H){1|O<2>,3|C<4>,3|H<1>}	O(CC[5]CC)(H)	108.3470	0.000	1	108.3470	0.000	1	110.0111	4.568	8	106.5809	10.717	45	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(OH)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CCCO)(H)	O(CC[5]CC)(H)	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(OH)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CCCO)(H){3|C<4>,4|H<1>}	O(CC[5]CC)(H)	109.7860	0.000	1	109.7860	0.000	1	110.0111	4.568	8	106.5809	10.717	45	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(OH)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCO)(H)	O(CC[5]CC)(H)	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(OH)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCO)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	O(CC[5]CC)(H)	111.3850	2.214	4	110.3260	5.713	6	110.0111	4.568	8	106.5809	10.717	45	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(OH)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCO)(H)	O(CC[5]CC)(H)	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(OH)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCO)(H){2|C<4>,5|H<1>}	O(CC[5]CC)(H)	108.2080	0.638	2	110.3260	5.713	6	110.0111	4.568	8	106.5809	10.717	45	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(CCHH)(CH3)(OH)	C[5](C[5]C[3]C[5]H)(C[5]C[5]HH)(CCCO)(H)	O(CC[5]CC)(H)	C(C[5]C[5]2H)(CCHH)(CH3)(OH)	C[5](C[5]C[3]C[5]H)(C[5]C[5]HH)(CCCO)(H){1|O<2>,3|C<4>,3|H<1>}	O(CC[5]CC)(H)	104.1000	0.000	1	104.1000	0.000	1	107.3993	6.470	14	106.5809	10.717	45	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(CCHH)(CH3)(OH)	C[5](C[5]C[5,5]C[3]H)(C[5]C[5]HH)(CCCO)(H)	O(CC[5]CC)(H)	C(C[5]C[5]2H)(CCHH)(CH3)(OH)	C[5](C[5]C[5,5]C[3]H)(C[5]C[5]HH)(CCCO)(H){1|O<2>,3|C<4>,3|H<1>}	O(CC[5]CC)(H)	107.6040	0.000	1	107.6040	0.000	1	107.3993	6.470	14	106.5809	10.717	45	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(CCHH)(CH3)(OH)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCCO)(H)	O(CC[5]CC)(H)	C(C[5]C[5]2H)(CCHH)(CH3)(OH)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCCO)(H){1|O<2>,2|C<4>,2|H<1>}	O(CC[5]CC)(H)	108.1180	0.000	1	108.1180	0.000	1	107.3993	6.470	14	106.5809	10.717	45	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(CCHH)(CH3)(OH)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCO)(H)	O(CC[5]CC)(H)	C(C[5]C[5]2H)(CCHH)(CH3)(OH)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCO)(H){1|H<1>,1|O<2>,2|C<4>}	O(CC[5]CC)(H)	106.9080	0.000	1	106.9080	0.000	1	107.3993	6.470	14	106.5809	10.717	45	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(CH3)2(OH)	C[5](C[5]C[5,5,6]HO)(C[5]C[5]HH)(CCCO)(H)	O(CC[5]CC)(H)	C(C[5]C[5]2H)(CH3)2(OH)	C[5](C[5]C[5,5,6]HO)(C[5]C[5]HH)(CCCO)(H){2|C<4>,2|H<1>}	O(CC[5]CC)(H)	110.8370	1.162	2	110.8370	1.351	2	107.3993	6.470	14	106.5809	10.717	45	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(CH3)2(OH)	C[5](C[5]C[5,6]HH)(C[5]C[5]CC)(CCCO)(H)	O(CC[5]CC)(H)	C(C[5]C[5]2H)(CH3)2(OH)	C[5](C[5]C[5,6]HH)(C[5]C[5]CC)(CCCO)(H){1|C<4>,1|H<1>,2|C<3>}	O(CC[5]CC)(H)	108.0800	0.000	1	108.0800	0.000	1	107.3993	6.470	14	106.5809	10.717	45	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(CH3)2(OH)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(CCCO)(H)	O(CC[5]CC)(H)	C(C[5]C[5]2H)(CH3)2(OH)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(CCCO)(H){2|C<3>,2|H<1>}	O(CC[5]CC)(H)	109.3710	0.000	1	109.3710	0.000	1	107.3993	6.470	14	106.5809	10.717	45	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(CH3)2(OH)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CCCO)(H)	O(CC[5]CC)(H)	C(C[5]C[5]2H)(CH3)2(OH)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CCCO)(H){2|C<3>}	O(CC[5]CC)(H)	107.5040	0.881	2	107.5040	0.776	2	107.3993	6.470	14	106.5809	10.717	45	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(CH3)2(OH)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(CCCO)(H)	O(CC[5]CC)(H)	C(C[5]C[5]2H)(CH3)2(OH)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(CCCO)(H){4|C<3>}	O(CC[5]CC)(H)	106.7640	0.000	1	106.7640	0.000	1	107.3993	6.470	14	106.5809	10.717	45	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(CH3)2(OH)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCO)(H)	O(CC[5]CC)(H)	C(C[5]C[5]2H)(CH3)2(OH)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCO)(H){1|C<4>,1|H<1>,2|C<3>}	O(CC[5]CC)(H)	107.5240	0.000	1	107.5240	0.000	1	107.3993	6.470	14	106.5809	10.717	45	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(CH3)2(OH)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCO)(H)	O(CC[5]CC)(H)	C(C[5]C[5]2H)(CH3)2(OH)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCO)(H){1|C<4>,1|O<2>,2|H<1>}	O(CC[5]CC)(H)	107.5090	0.000	1	107.5090	0.000	1	107.3993	6.470	14	106.5809	10.717	45	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(CH3)2(OH)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCCO)(H)	O(CC[5]CC)(H)	C(C[5]C[5]2H)(CH3)2(OH)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCCO)(H){1|C<4>,3|H<1>}	O(CC[5]CC)(H)	100.9300	0.000	1	100.9300	0.000	1	107.3993	6.470	14	106.5809	10.717	45	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5]-4:C[6]-4:C-4:O-2:	C[3,5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[3,5]C[5]H)(C[6]C[5,6]C[6]H)(CH3)(OH)	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]CO)(CC[6]CO)(H)	O(CC[5]C[6]C)(H)	C(C[5]C[3,5]C[5]H)(C[6]C[5,6]C[6]H)(CH3)(OH)	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]CO)(CC[6]CO)(H){1|H<1>,2|C<4>}	O(CC[5]C[6]C)(H)	103.0719	0.784	7	103.0719	0.615	7	103.0719	0.615	7	106.5809	10.717	45	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5,6]C[5]H)(C[6]C[6]N[6]H)(CH3)(OH)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6]CO)(H)	O(CC[5]C[6]C)(H)	C(C[5]C[5,6]C[5]H)(C[6]C[6]N[6]H)(CH3)(OH)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6]CO)(H){2|C<4>,5|H<1>}	O(CC[5]C[6]C)(H)	109.7935	1.392	2	109.7935	1.938	2	109.3697	1.508	3	106.5809	10.717	45	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5,6]C[5]H)(C[6]C[6]O[6]H)(CH3)(OH)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6]CO)(H)	O(CC[5]C[6]C)(H)	C(C[5]C[5,6]C[5]H)(C[6]C[6]O[6]H)(CH3)(OH)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6]CO)(H){2|C<4>,5|H<1>}	O(CC[5]C[6]C)(H)	108.5220	0.000	1	108.5220	0.000	1	109.3697	1.508	3	106.5809	10.717	45	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[5]-4:C-4:O-2:	C[3,5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[6,6]C[5,6,6]2H)(C[5]C[3,5]C[5]H)(CH3)(OH)	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]CO)(CC[6,6]CO)(H)	O(CC[6,6]C[5]C)(H)	C(C[6,6]C[5,6,6]2H)(C[5]C[3,5]C[5]H)(CH3)(OH)	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]CO)(CC[6,6]CO)(H){1|H<1>,2|C<4>}	O(CC[6,6]C[5]C)(H)	100.1170	0.000	1	100.1170	0.000	1	100.1170	0.000	1	106.5809	10.717	45	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[5,6]C[6]H)(C[5]C[5]2H)(CH3)(OH)	C[5](C[5]C[3]O[5]C)(C[5]C[5]HH)(CC[6]CO)(H)	O(CC[5]C[6]C)(H)	C(C[6]C[5,6]C[6]H)(C[5]C[5]2H)(CH3)(OH)	C[5](C[5]C[3]O[5]C)(C[5]C[5]HH)(CC[6]CO)(H){1|O<1>,1|O<2>,2|C<4>}	O(CC[5]C[6]C)(H)	106.5555	2.293	2	106.5555	5.259	2	104.4552	3.507	10	106.5809	10.717	45	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[5,6]C[6]H)(C[5]C[5]2H)(CH3)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6]CO)(H)	O(CC[5]C[6]C)(H)	C(C[6]C[5,6]C[6]H)(C[5]C[5]2H)(CH3)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6]CO)(H){1|H<1>,1|O<2>,2|C<4>}	O(CC[5]C[6]C)(H)	102.7560	0.241	4	102.7560	0.058	4	104.4552	3.507	10	106.5809	10.717	45	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[5,6]C[6]H)(C[5]C[5]2H)(CH3)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[6]CO)(H)	O(CC[5]C[6]C)(H)	C(C[6]C[5,6]C[6]H)(C[5]C[5]2H)(CH3)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[6]CO)(H){1|H<1>,1|O<2>,2|C<4>}	O(CC[5]C[6]C)(H)	103.9560	0.000	1	103.9560	0.000	1	104.4552	3.507	10	106.5809	10.717	45	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C-4:H-1:	C(C[6]C[5,6]C[6]H)(C[5]C[5]2H)(CH3)(OH)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(CC[6]CO)(H)	O(CC[5]C[6]C)(H)	C(C[6]C[5,6]C[6]H)(C[5]C[5]2H)(CH3)(OH)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(CC[6]CO)(H){1|O<1>}	O(CC[5]C[6]C)(H)	105.4870	1.076	3	105.4870	1.158	3	104.4552	3.507	10	106.5809	10.717	45	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:4:2:	4:4:4:2:	4:1:	C[4]-4:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C-4:O-2:	C-4:H-1:	C(C[4]C[4]2H)(C[5]C[5]2O)(CH3)(OH)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(CC[4]CO)(OH)	O(CC[4]C[5]C)(H)	C(C[4]C[4]2H)(C[5]C[5]2O)(CH3)(OH)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(CC[4]CO)(OH){1|O<1>}	O(CC[4]C[5]C)(H)	109.5230	0.000	1	109.5230	0.000	1	109.5230	0.000	1	104.3050	8.120	6	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:4:2:	4:4:4:2:	4:1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:C[5]-4:C-4:O-2:	C-4:H-1:	C(C[5]C[5]2O)(CCHH)(CH3)(OH)	C[5](C[5]C[5]2C)(C[5]C[5]HH)(CCCO)(OH)	O(CC[5]CC)(H)	C(C[5]C[5]2O)(CCHH)(CH3)(OH)	C[5](C[5]C[5]2C)(C[5]C[5]HH)(CCCO)(OH){1|C<4>,2|O<2>,4|H<1>}	O(CC[5]CC)(H)	105.7650	0.000	1	105.7650	0.000	1	103.2614	1.981	5	104.3050	8.120	6	109.4649	8.429	1821	109.5970	8.562	2073
490	474	893	0:SP3_SP3_SP3	C	C[5]	O	4:4:4:2:	4:4:4:2:	4:1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:C[5]-4:C-4:O-2:	C-4:H-1:	C(C[5]C[5]2O)(CCHH)(CH3)(OH)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCO)(OC)	O(CC[5]CC)(H)	C(C[5]C[5]2O)(CCHH)(CH3)(OH)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCO)(OC){1|C<4>,3|H<1>}	O(CC[5]CC)(H)	102.6355	0.174	4	102.6355	0.030	4	103.2614	1.981	5	104.3050	8.120	6	109.4649	8.429	1821	109.5970	8.562	2073