490	643	863	0:SP3_SP2_SP2	C	C[6a]	O	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:O-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)2(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	O(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)2(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]HH)	111.6070	0.000	1	111.5333	1.776	7	111.5333	1.776	7	111.5333	1.776	7	111.1296	7.499	83	111.1296	7.499	83
490	643	863	0:SP3_SP2_SP2	C	C[6a]	O	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:O-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)2(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	O(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)2(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)	111.5210	1.459	6	111.5333	1.776	7	111.5333	1.776	7	111.5333	1.776	7	111.1296	7.499	83	111.1296	7.499	83
490	643	863	0:SP3_SP2_SP2	C	C[6a]	O	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:O-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)2(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)	C(C[6a]C[6a]2)(H)2(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHO){2|H<1>,3|C<3>}	O(CC[6a]HH)	110.9108	4.266	4	110.9108	18.202	4	112.1283	11.762	7	112.1283	11.762	7	111.1296	7.499	83	111.1296	7.499	83
490	643	863	0:SP3_SP2_SP2	C	C[6a]	O	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:O-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)2(O)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(CHHO)	O(CC[6a]HH)	C(C[6a]C[6a]2)(H)2(O)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(CHHO){1|C<3>,1|O<2>}	O(CC[6a]HH)	114.8000	0.000	1	114.8000	0.000	1	112.1283	11.762	7	112.1283	11.762	7	111.1296	7.499	83	111.1296	7.499	83
490	643	863	0:SP3_SP2_SP2	C	C[6a]	O	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:O-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)2(O)	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)	C(C[6a]C[6a]2)(H)2(O)	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)	113.2275	0.692	2	113.2275	0.479	2	112.1283	11.762	7	112.1283	11.762	7	111.1296	7.499	83	111.1296	7.499	83
490	643	863	0:SP3_SP2_SP2	C	C[6a]	O	3:3:1:1:	2:3:4:	4:	C[6a]-3:C-3:H-1:O-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]O)(H)(O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(CCHO)	O(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CC[6a]O)(H)(O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(CCHO){2|C<3>}	O(CC[6a]CH)	109.9410	0.000	1	109.9410	0.000	1	109.9410	0.000	1	109.9410	0.000	1	111.1296	7.499	83	111.1296	7.499	83
490	643	863	0:SP3_SP2_SP2	C	C[6a]	O	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)(H)(O)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)	C(C[6a]C[6a]2)(COO)(H)(O)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)	111.6970	1.227	4	111.6970	1.507	4	111.6970	1.507	4	111.9440	1.315	10	111.1296	7.499	83	111.1296	7.499	83
490	643	863	0:SP3_SP2_SP2	C	C[6a]	O	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)(O)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	O(CC[6a]2H)	C(C[6a]C[6a]2)2(H)(O)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	O(CC[6a]2H)	112.8207	1.043	3	112.8207	1.089	3	112.1087	1.382	6	111.9440	1.315	10	111.1296	7.499	83	111.1296	7.499	83
490	643	863	0:SP3_SP2_SP2	C	C[6a]	O	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)(O)	C[6a](C[6a]C[6a]O)2(CC[6a]HO)	O(CC[6a]2H)	C(C[6a]C[6a]2)2(H)(O)	C[6a](C[6a]C[6a]O)2(CC[6a]HO){1|C<3>,2|C<4>}	O(CC[6a]2H)	111.3967	0.920	3	111.3967	0.846	3	112.1087	1.382	6	111.9440	1.315	10	111.1296	7.499	83	111.1296	7.499	83
490	643	863	0:SP3_SP2_SP2	C	C[6a]	O	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CCo2C)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CO)	O(CC[6a]2C)	C(C[6a]C[6a]2)2(CCo2C)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CO){1|C<3>,2|H<1>}	O(CC[6a]2C)	109.9260	3.364	2	109.9260	11.319	2	109.9225	7.713	4	109.9225	7.713	4	111.1296	7.499	83	111.1296	7.499	83
490	643	863	0:SP3_SP2_SP2	C	C[6a]	O	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CF3)(O)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CC[6a]CO)	O(CC[6a]2C)	C(C[6a]C[6a]2)2(CF3)(O)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CC[6a]CO){1|C<3>,2|H<1>}	O(CC[6a]2C)	107.4880	0.000	1	107.4880	0.000	1	109.9225	7.713	4	109.9225	7.713	4	111.1296	7.499	83	111.1296	7.499	83
490	643	863	0:SP3_SP2_SP2	C	C[6a]	O	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CF3)(O)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	O(CC[6a]2C)	C(C[6a]C[6a]2)2(CF3)(O)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	O(CC[6a]2C)	112.3500	0.000	1	112.3500	0.000	1	109.9225	7.713	4	109.9225	7.713	4	111.1296	7.499	83	111.1296	7.499	83
490	643	863	0:SP3_SP2_SP2	C	C[6a]	O	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:O-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)(O)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)(O)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)	110.4020	0.598	4	110.4020	0.357	4	112.8686	8.559	17	112.8686	8.559	17	111.1296	7.499	83	111.1296	7.499	83
490	643	863	0:SP3_SP2_SP2	C	C[6a]	O	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:O-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(H)(O)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HN)(H)(O)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)	113.9017	1.382	6	113.9017	1.911	6	112.8686	8.559	17	112.8686	8.559	17	111.1296	7.499	83	111.1296	7.499	83
490	643	863	0:SP3_SP2_SP2	C	C[6a]	O	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:O-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCl2C)(H)(O)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)	C(C[6a]C[6a]2)(CCl2C)(H)(O)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)	109.5210	0.000	1	109.5210	0.000	1	112.8686	8.559	17	112.8686	8.559	17	111.1296	7.499	83	111.1296	7.499	83
490	643	863	0:SP3_SP2_SP2	C	C[6a]	O	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:O-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)(O)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)(O)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)	114.6195	4.903	4	114.6195	24.035	4	112.8686	8.559	17	112.8686	8.559	17	111.1296	7.499	83	111.1296	7.499	83
490	643	863	0:SP3_SP2_SP2	C	C[6a]	O	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:O-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHN)(H)(O)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)	C(C[6a]C[6a]2)(CHHN)(H)(O)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)	112.8750	0.018	2	112.8750	0.000	2	112.8686	8.559	17	112.8686	8.559	17	111.1296	7.499	83	111.1296	7.499	83
490	643	863	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:C-2:O-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(CC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCCO)	O(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)	111.4510	0.191	2	111.4510	0.036	2	111.4510	0.036	2	111.4510	0.036	2	111.1296	7.499	83	111.1296	7.499	83
490	643	863	0:SP3_SP2_SP2	C	C[6a]	O	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:O-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(CCFF)2(O)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CCCO)	O(CC[6a]CC)	C(C[6a]C[5,6a]C[6a])(CCFF)2(O)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CCCO){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(CC[6a]CC)	108.7300	0.000	1	108.7300	0.000	1	107.0990	2.770	3	109.0723	7.307	17	111.1296	7.499	83	111.1296	7.499	83
490	643	863	0:SP3_SP2_SP2	C	C[6a]	O	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:O-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(CCFF)2(O)	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(CCCO)	O(CC[6a]CC)	C(C[6a]C[5,6a]C[6a])(CCFF)2(O)	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(CCCO){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(CC[6a]CC)	106.2835	1.245	2	106.2835	1.551	2	107.0990	2.770	3	109.0723	7.307	17	111.1296	7.499	83	111.1296	7.499	83
490	643	863	0:SP3_SP2_SP2	C	C[6a]	O	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:O-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC3)2(O)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)	C(C[6a]C[6a]2)(CC3)2(O)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|C<4>}	O(CC[6a]CC)	106.8590	0.219	2	107.2115	0.159	6	109.4951	7.475	14	109.0723	7.307	17	111.1296	7.499	83	111.1296	7.499	83
490	643	863	0:SP3_SP2_SP2	C	C[6a]	O	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:O-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC3)2(O)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)	C(C[6a]C[6a]2)(CC3)2(O)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)	107.3877	0.354	4	107.2115	0.159	6	109.4951	7.475	14	109.0723	7.307	17	111.1296	7.499	83	111.1296	7.499	83
490	643	863	0:SP3_SP2_SP2	C	C[6a]	O	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:O-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(CHHO)(O)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CHHO)(O)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)	105.8940	0.000	1	105.8940	0.000	1	109.4951	7.475	14	109.0723	7.307	17	111.1296	7.499	83	111.1296	7.499	83
490	643	863	0:SP3_SP2_SP2	C	C[6a]	O	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:O-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CF3)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CCCO)	O(CC[6a]CC)	C(C[6a]C[6a]2)(CF3)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)	111.5060	0.409	3	111.5060	0.167	3	109.4951	7.475	14	109.0723	7.307	17	111.1296	7.499	83	111.1296	7.499	83
490	643	863	0:SP3_SP2_SP2	C	C[6a]	O	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:O-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CF3)2(O)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)	C(C[6a]C[6a]2)(CF3)2(O)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)	112.3127	1.623	4	112.3127	2.635	4	109.4951	7.475	14	109.0723	7.307	17	111.1296	7.499	83	111.1296	7.499	83
490	643	863	0:SP3_SP2_SP2	C	C[6a]	O	4:3:1:1:	3:3:4:	4:	C[3]-4:C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[3]C[6a]C[3]O[3])(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CC[3]HO)	O(CC[6a]C[3]H)	C(C[3]C[6a]C[3]O[3])(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CC[3]HO){1|C<3>,2|H<1>}	O(CC[6a]C[3]H)	111.7470	0.000	1	111.7470	0.000	1	111.7470	0.000	1	112.3729	0.620	8	111.1296	7.499	83	111.1296	7.499	83
490	643	863	0:SP3_SP2_SP2	C	C[6a]	O	4:3:1:1:	3:3:4:	4:	C[6,6]-4:C[6a]-3:H-1:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6,6]HO)	O(CC[6,6]C[6a]H)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6,6]HO){1|N<2>,2|C<3>,2|H<1>}	O(CC[6,6]C[6a]H)	110.9560	0.000	1	110.9560	0.000	1	110.9560	0.000	1	112.3729	0.620	8	111.1296	7.499	83	111.1296	7.499	83
490	643	863	0:SP3_SP2_SP2	C	C[6a]	O	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[5a,6]C[6]C)(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6]HO)	O(CC[6a]C[6]H)	C(C[6]C[5a,6]C[6]C)(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6]HO){1|C<3>,2|H<1>}	O(CC[6a]C[6]H)	113.2210	0.000	1	113.2210	0.000	1	112.7133	0.250	6	112.3729	0.620	8	111.1296	7.499	83	111.1296	7.499	83
490	643	863	0:SP3_SP2_SP2	C	C[6a]	O	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6]HO)	O(CC[6a]C[6]H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6]HO){1|C<3>,2|H<1>}	O(CC[6a]C[6]H)	112.2940	0.165	3	112.2940	0.027	3	112.7133	0.250	6	112.3729	0.620	8	111.1296	7.499	83	111.1296	7.499	83
490	643	863	0:SP3_SP2_SP2	C	C[6a]	O	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	O(CC[6a]C[6]H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	O(CC[6a]C[6]H)	113.0885	0.357	2	113.0885	0.128	2	112.7133	0.250	6	112.3729	0.620	8	111.1296	7.499	83	111.1296	7.499	83
490	643	863	0:SP3_SP2_SP2	C	C[6a]	O	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:C[6a]-3:O-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5]C[5]2Fe)(C[6a]C[6a]2)2(O)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	O(CC[6a]2C[5])	C(C[5]C[5]2Fe)(C[6a]C[6a]2)2(O)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	O(CC[6a]2C[5])	108.5140	0.846	2	108.5140	0.715	2	109.4937	9.259	6	109.5381	6.929	8	111.1296	7.499	83	111.1296	7.499	83
490	643	863	0:SP3_SP2_SP2	C	C[6a]	O	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:C[6a]-3:O-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(O)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]F)2	O(CC[6a]2C[5])	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(O)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	O(CC[6a]2C[5])	109.9835	3.773	4	109.9835	14.233	4	109.4937	9.259	6	109.5381	6.929	8	111.1296	7.499	83	111.1296	7.499	83
490	643	863	0:SP3_SP2_SP2	C	C[6a]	O	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6a]-3:C[6a]-3:O-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[6]C[6]2Cr)(C[6a]C[6a]2)2(O)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2	O(CC[6a]2C[6])	C(C[6]C[6]2Cr)(C[6a]C[6a]2)2(O)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	O(CC[6a]2C[6])	109.6715	1.471	2	109.6715	2.165	2	109.6715	2.165	2	109.5381	6.929	8	111.1296	7.499	83	111.1296	7.499	83
490	643	863	0:SP3_SP2_SP2	C	C[6a]	O	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]H)2(CC[5]CO)	O(CC[6a]C[5]C)	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(CH3)(O)	C[6a](C[6a]C[6a]H)2(CC[5]CO){1|C<3>,2|H<1>}	O(CC[6a]C[5]C)	107.4940	0.000	1	107.4940	0.000	1	107.4940	0.000	1	107.4940	0.000	1	111.1296	7.499	83	111.1296	7.499	83
490	643	863	0:SP3_SP2_SP2	C	C[6a]	O	4:4:3:1:	3:3:4:	4:	C[5]-4:C[5]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]2Fe)2(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]2O)	O(CC[6a]C[5]2)	C(C[5]C[5]2Fe)2(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]2O){1|C<3>,2|H<1>}	O(CC[6a]C[5]2)	110.3710	0.000	1	110.3710	0.000	1	110.3710	0.000	1	110.3710	0.000	1	111.1296	7.499	83	111.1296	7.499	83
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:3:3:4:	3:3:4:	4:4:4:4:	C[6a]-3:C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)3(SiC3)	C[6a](C[6a]C[6a]H)2(CC[6a]2Si)	Si(CC[6a]3)(CH3)3	C(C[6a]C[6a]2)3(SiC3)	C[6a](C[6a]C[6a]H)2(CC[6a]2Si){1|C<3>,2|H<1>}	Si(CC[6a]3)(CH3)3	108.2900	3.719	6	108.2900	13.828	6	108.2900	13.828	6	108.2900	13.828	6	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:3:4:1:	3:3:4:	3:4:4:4:	C[6a]-3:C[6a]-3:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	C(C[6a]C[6a]2)2(SiC[6a]CC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]SiH)	Si(C[6a]C[6a]2)(CC[6a]2H)2(CH3)	C(C[6a]C[6a]2)2(SiC[6a]CC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]SiH){1|C<3>,2|H<1>}	Si(C[6a]C[6a]2)(CC[6a]2H)2(CH3)	112.6993	4.923	4	112.6993	24.236	4	112.6993	24.236	4	112.6993	24.236	4	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:3:4:1:	3:3:4:	4:4:4:2:	C[6a]-3:C[6a]-3:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-2:	C(C[6a]C[6a]2)2(SiC3)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]SiH)	Si(CC[6a]2H)(CH3)2(CC)	C(C[6a]C[6a]2)2(SiC3)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]SiH){1|C<3>,2|H<1>}	Si(CC[6a]2H)(CH3)2(CC)	113.0537	2.981	4	113.0537	8.886	4	113.0537	8.886	4	112.7650	3.929	8	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:3:4:1:	3:3:4:	4:4:4:2:	C[6a]-3:C[6a]-3:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:O-2:	C(C[6a]C[6a]2)2(SiCCO)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]SiH)	Si(CC[6a]2H)2(CH3)(OH)	C(C[6a]C[6a]2)2(SiCCO)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]SiH){1|C<3>,2|H<1>}	Si(CC[6a]2H)2(CH3)(OH)	112.4762	0.244	4	112.4762	0.060	4	112.4762	0.060	4	112.7650	3.929	8	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:3:4:1:	3:3:4:	4:4:4:4:	C[6a]-3:B-3:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(BC[6a]2)(SiC3)(H)	C[6a](C[6a]C[6a]F)2(CSiBH)	Si(CC[6a]BH)(CH3)3	C(C[6a]C[6a]2)(BC[6a]2)(SiC3)(H)	C[6a](C[6a]C[6a]F)2(CSiBH){1|C<3>,2|F<1>}	Si(CC[6a]BH)(CH3)3	117.1450	0.000	1	117.1450	0.000	1	113.8959	9.823	7	113.8959	9.823	7	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:3:4:1:	3:3:4:	4:4:4:4:	C[6a]-3:B-3:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(BC[6a]C)(SiC3)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CSiBH)	Si(CC[6a]BH)(CH3)3	C(C[6a]C[6a]2)(BC[6a]C)(SiC3)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CSiBH){2|H<1>,3|C<3>}	Si(CC[6a]BH)(CH3)3	115.5750	5.498	2	115.5750	30.233	2	113.8959	9.823	7	113.8959	9.823	7	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:3:4:1:	3:3:4:	4:4:4:4:	C[6a]-3:B-3:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(BC[6a]C)(SiC3)(H)	C[6a](C[6a]C[6a]F)2(CSiBH)	Si(CC[6a]BH)(CH3)3	C(C[6a]C[6a]2)(BC[6a]C)(SiC3)(H)	C[6a](C[6a]C[6a]F)2(CSiBH){1|C<3>,2|F<1>}	Si(CC[6a]BH)(CH3)3	112.5803	0.343	3	112.5803	0.118	3	113.8959	9.823	7	113.8959	9.823	7	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:3:4:1:	3:3:4:	4:4:4:4:	C[6a]-3:B-3:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(BC[6a]C)(SiC3)(H)	C[6a](C[6a]C[6a]H)2(CSiBH)	Si(CC[6a]BH)(CH3)3	C(C[6a]C[6a]2)(BC[6a]C)(SiC3)(H)	C[6a](C[6a]C[6a]H)2(CSiBH){1|C<3>,2|H<1>}	Si(CC[6a]BH)(CH3)3	111.2350	0.000	1	111.2350	0.000	1	113.8959	9.823	7	113.8959	9.823	7	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:3:4:4:	3:3:4:	4:4:4:1:	C[6a]-3:C[6a]-3:P-4:Si-4:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a]2)2(PC[6a]BC)(SiCCH)	C[6a](C[6a]C[6a]H)2(CC[6a]SiP)	Si(CC[6a]2P)(CH3)2(H)	C(C[6a]C[6a]2)2(PC[6a]BC)(SiCCH)	C[6a](C[6a]C[6a]H)2(CC[6a]SiP){1|C<3>,2|H<1>}	Si(CC[6a]2P)(CH3)2(H)	105.9460	5.702	2	105.9460	32.514	2	105.9460	32.514	2	105.9460	32.514	2	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:3:4:4:	4:3:3:	4:4:4:4:	C[6a]-3:C[6a]-3:C[6]-4:Si-4:	C-4:C[6a]-3:C[6a]-3:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)2(C[6]C[6]2H)(SiC3)	C[6a](CC[6a]C[6]Si)(C[6a]C[6a]H)2	Si(CC[6a]2C[6])(CH3)3	C(C[6a]C[6a]2)2(C[6]C[6]2H)(SiC3)	C[6a](CC[6a]C[6]Si)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	Si(CC[6a]2C[6])(CH3)3	107.6395	1.133	2	107.6395	1.285	2	107.6395	1.285	2	107.6395	1.285	2	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:1:1:	3:2:4:	3:3:4:4:	C[6a]-3:Si-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:C-4:C-4:	C(C[6a]C[6a]N[6a])(SiC[6a]2C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSiHH)	Si(C[6a]C[6a]2)2(CC[6a]HH)2	C(C[6a]C[6a]N[6a])(SiC[6a]2C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSiHH){1|C<3>,1|C<4>,1|H<1>}	Si(C[6a]C[6a]2)2(CC[6a]HH)2	116.5212	2.714	4	115.3587	7.719	6	115.3587	7.719	6	115.3587	7.719	6	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:1:1:	3:2:4:	3:3:4:4:	C[6a]-3:Si-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:C-4:C-4:	C(C[6a]C[6a]N[6a])(SiC[6a]2C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSiHH)	Si(C[6a]C[6a]2)2(CC[6a]HH)2	C(C[6a]C[6a]N[6a])(SiC[6a]2C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSiHH){1|C<3>,2|H<1>}	Si(C[6a]C[6a]2)2(CC[6a]HH)2	113.0335	0.520	2	115.3587	7.719	6	115.3587	7.719	6	115.3587	7.719	6	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:1:1:	3:3:4:	3:3:4:1:	C[6a]-3:Si-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(SiC[6a]2H)(H)2	C[6a](C[6a]C[6a]C)2(CSiHH)	Si(C[6a]C[6a]2)2(CC[6a]HH)(H)	C(C[6a]C[6a]2)(SiC[6a]2H)(H)2	C[6a](C[6a]C[6a]C)2(CSiHH){1|C<3>,2|C<4>}	Si(C[6a]C[6a]2)2(CC[6a]HH)(H)	114.3705	2.843	2	114.3705	8.084	2	114.3705	8.084	2	114.3705	8.084	2	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:1:1:	3:3:4:	3:3:4:4:	C[6a]-3:Si-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:C-4:	C(C[6a]C[6a]2)(SiC[6a]2C)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CSiHH)	Si(C[6a]C[6a]2)2(CC[6a]HH)2	C(C[6a]C[6a]2)(SiC[6a]2C)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CSiHH){1|H<1>,2|C<3>}	Si(C[6a]C[6a]2)2(CC[6a]HH)2	116.9325	2.176	2	116.9325	4.734	2	116.9325	4.734	2	116.9325	4.734	2	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:1:1:	3:3:4:	3:4:4:4:	C[6a]-3:Si-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C(C[6a]C[6a]2)(SiC[6]CC)(H)2	C[6a](C[6a]C[6a]H)2(CSiHH)	Si(C[6]C[6]2)(CC[6a]HH)(CH3)2	C(C[6a]C[6a]2)(SiC[6]CC)(H)2	C[6a](C[6a]C[6a]H)2(CSiHH){1|C<3>,2|H<1>}	Si(C[6]C[6]2)(CC[6a]HH)(CH3)2	113.7660	0.000	1	113.7660	0.000	1	113.7660	0.000	1	112.5485	2.965	2	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:1:1:	3:3:4:	3:4:4:4:	C[6a]-3:Si-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	C(C[6a]C[6a]2)(SiC[6a]CC)(H)2	C[6a](C[6a]C[6a]H)2(CSiHH)	Si(C[6a]C[6a]2)(CC[6a]HH)(CN[6]HH)(CH3)	C(C[6a]C[6a]2)(SiC[6a]CC)(H)2	C[6a](C[6a]C[6a]H)2(CSiHH){1|C<3>,2|H<1>}	Si(C[6a]C[6a]2)(CC[6a]HH)(CN[6]HH)(CH3)	111.3310	0.000	1	111.3310	0.000	1	111.3310	0.000	1	112.5485	2.965	2	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:1:1:	3:3:4:	4:2:4:4:	C[6a]-3:Si-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:C-4:C-4:	C(C[6a]C[6a]2)(SiCCO)(H)2	C[6a](C[6a]C[6a]H)2(CSiHH)	Si(CC[6a]HH)(OC[6a])(CCCH)2	C(C[6a]C[6a]2)(SiCCO)(H)2	C[6a](C[6a]C[6a]H)2(CSiHH){1|C<3>,2|H<1>}	Si(CC[6a]HH)(OC[6a])(CCCH)2	114.8900	0.000	1	114.8900	0.000	1	114.8900	0.000	1	114.8900	0.000	1	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:Si-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a]2)(SiCCH)(H)2	C[6a](C[6a]C[6a]C)2(CSiHH)	Si(CC[6a]HH)(CCCH)2(H)	C(C[6a]C[6a]2)(SiCCH)(H)2	C[6a](C[6a]C[6a]C)2(CSiHH){1|C<3>,2|C<4>}	Si(CC[6a]HH)(CCCH)2(H)	116.9560	2.787	6	116.9560	7.770	6	116.1474	7.490	10	116.1474	7.490	10	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:Si-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a]2)(SiCCH)(H)2	C[6a](C[6a]C[6a]C)2(CSiHH)	Si(CC[6a]HH)(CH3)2(H)	C(C[6a]C[6a]2)(SiCCH)(H)2	C[6a](C[6a]C[6a]C)2(CSiHH){1|C<3>,2|C<4>}	Si(CC[6a]HH)(CH3)2(H)	115.8107	2.185	3	115.8107	4.772	3	116.1474	7.490	10	116.1474	7.490	10	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:Si-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a]2)(SiCCH)(H)2	C[6a](C[6a]C[6a]H)2(CSiHH)	Si(CC[6a]HH)(CH3)2(H)	C(C[6a]C[6a]2)(SiCCH)(H)2	C[6a](C[6a]C[6a]H)2(CSiHH){1|C<3>,2|H<1>}	Si(CC[6a]HH)(CH3)2(H)	112.3060	0.000	1	112.3060	0.000	1	116.1474	7.490	10	116.1474	7.490	10	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:1:1:	3:3:4:	4:4:4:2:	C[6a]-3:Si-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:O-2:	C(C[6a]C[6a]2)(SiCCO)(H)2	C[6a](C[6a]C[6a]C)2(CSiHH)	Si(CC[6a]HH)(CH3)2(OH)	C(C[6a]C[6a]2)(SiCCO)(H)2	C[6a](C[6a]C[6a]C)2(CSiHH){1|C<3>,2|C<4>}	Si(CC[6a]HH)(CH3)2(OH)	113.9595	0.674	2	113.9595	0.454	2	117.3473	15.472	4	117.3473	15.472	4	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:1:1:	3:3:4:	4:4:4:2:	C[6a]-3:Si-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:O-2:	C(C[6a]C[6a]2)(SiCCO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CSiHH)	Si(CC[6a]HH)(CH3)2(OSi)	C(C[6a]C[6a]2)(SiCCO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CSiHH){1|C<3>,2|H<1>}	Si(CC[6a]HH)(CH3)2(OSi)	120.7350	0.236	2	120.7350	0.056	2	117.3473	15.472	4	117.3473	15.472	4	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:1:1:	3:3:4:	4:4:4:4:	C[6a]-3:Si-4:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a,6a]2)(SiC3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CSiHH)	Si(CC[6a]HH)(CH3)3	C(C[6a]C[6a,6a]2)(SiC3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CSiHH){2|H<1>,5|C<3>}	Si(CC[6a]HH)(CH3)3	116.1600	2.287	2	116.1600	5.229	2	116.1600	5.229	2	114.6301	3.805	15	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:1:1:	3:3:4:	4:4:4:4:	C[6a]-3:Si-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a,6a]C[6a])(SiC3)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CSiHH)	Si(CC[6a]HH)(CH3)3	C(C[6a]C[6a,6a]C[6a])(SiC3)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CSiHH){1|C<4>,1|H<1>,3|C<3>}	Si(CC[6a]HH)(CH3)3	115.6660	1.366	2	115.6660	1.866	2	115.6660	1.866	2	114.6301	3.805	15	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:1:1:	3:3:4:	4:4:4:4:	C[6a]-3:Si-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(SiC3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CSiHH)	Si(CC[6a]HH)(CH3)3	C(C[6a]C[6a]2)(SiC3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CSiHH){1|C<3>,1|C<4>,1|H<1>}	Si(CC[6a]HH)(CH3)3	113.1870	0.000	1	113.1870	0.000	1	114.1636	3.696	11	114.6301	3.805	15	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:1:1:	3:3:4:	4:4:4:4:	C[6a]-3:Si-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(SiC3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CSiHH)	Si(CC[6a]HH)(CH3)3	C(C[6a]C[6a]2)(SiC3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CSiHH){1|C<3>,1|H<1>}	Si(CC[6a]HH)(CH3)3	115.6900	0.000	1	115.6900	0.000	1	114.1636	3.696	11	114.6301	3.805	15	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:1:1:	3:3:4:	4:4:4:4:	C[6a]-3:Si-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(SiC3)(H)2	C[6a](C[6a]C[6a]H)2(CSiHH)	Si(CC[6a]HH)(CC3)(CH3)2	C(C[6a]C[6a]2)(SiC3)(H)2	C[6a](C[6a]C[6a]H)2(CSiHH){1|C<3>,1|H<1>,1|N<2>}	Si(CC[6a]HH)(CC3)(CH3)2	113.3520	0.000	1	113.3520	0.000	1	114.1636	3.696	11	114.6301	3.805	15	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:1:1:	3:3:4:	4:4:4:4:	C[6a]-3:Si-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(SiC3)(H)2	C[6a](C[6a]C[6a]H)2(CSiHH)	Si(CC[6a]HH)(CHHP)(CH3)2	C(C[6a]C[6a]2)(SiC3)(H)2	C[6a](C[6a]C[6a]H)2(CSiHH){1|C<3>,2|H<1>}	Si(CC[6a]HH)(CHHP)(CH3)2	112.5317	1.511	3	112.5317	2.282	3	114.1636	3.696	11	114.6301	3.805	15	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:1:1:	3:3:4:	4:4:4:4:	C[6a]-3:Si-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(SiC3)(H)2	C[6a](C[6a]C[6a]H)2(CSiHH)	Si(CC[6a]HH)2(CH3)2	C(C[6a]C[6a]2)(SiC3)(H)2	C[6a](C[6a]C[6a]H)2(CSiHH){1|C<3>,2|H<1>}	Si(CC[6a]HH)2(CH3)2	113.1220	0.132	2	113.1220	0.017	2	114.1636	3.696	11	114.6301	3.805	15	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:1:1:	3:3:4:	4:4:4:4:	C[6a]-3:Si-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(SiC3)(H)2	C[6a](C[6a]C[6a]H)2(CSiHH)	Si(CC[6a]HH)4	C(C[6a]C[6a]2)(SiC3)(H)2	C[6a](C[6a]C[6a]H)2(CSiHH){1|C<3>,2|H<1>}	Si(CC[6a]HH)4	117.1330	0.000	1	117.1330	0.000	1	114.1636	3.696	11	114.6301	3.805	15	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:1:1:	3:3:4:	4:4:4:4:	C[6a]-3:Si-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(SiC3)(H)2	C[6a](C[6a]C[6a]N)2(CSiHH)	Si(CC[6a]HH)(CH3)3	C(C[6a]C[6a]2)(SiC3)(H)2	C[6a](C[6a]C[6a]N)2(CSiHH){1|C<3>,2|H<1>}	Si(CC[6a]HH)(CH3)3	116.2995	0.579	2	116.2995	0.335	2	114.1636	3.696	11	114.6301	3.805	15	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:2:1:	3:2:4:	4:4:4:4:	C[6a]-3:Si-4:O-2:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]N[6a])(SiC3)(OH)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CSiHO)	Si(CC[6a]HO)(CCCH)3	C(C[6a]C[6a]N[6a])(SiC3)(OH)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CSiHO){1|C<3>,2|O<2>}	Si(CC[6a]HO)(CCCH)3	116.1880	0.000	1	116.1880	0.000	1	116.1880	0.000	1	116.1880	0.000	1	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:2:1:	3:3:4:	3:3:4:4:	C[6a]-3:Si-4:S-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:C-4:	C(C[6a]C[6a]2)(SiC[6a]2C)(SH)(H)	C[6a](C[6a]C[6a]H)2(CSiHS)	Si(C[6a]C[6a]2)2(CC[6a]HS)2	C(C[6a]C[6a]2)(SiC[6a]2C)(SH)(H)	C[6a](C[6a]C[6a]H)2(CSiHS){1|C<3>,2|H<1>}	Si(C[6a]C[6a]2)2(CC[6a]HS)2	114.3055	1.193	2	114.3055	1.423	2	114.3055	1.423	2	114.3055	1.423	2	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:3:1:	3:3:4:	3:3:4:4:	C[6a]-3:Si-4:S-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:C-4:	C(C[6a]C[6a]2)(SiC[6a]2C)(SFe2)(H)	C[6a](C[6a]C[6a]H)2(CSiHS)	Si(C[6a]C[6a]2)2(CC[6a]HS)2	C(C[6a]C[6a]2)(SiC[6a]2C)(SFe2)(H)	C[6a](C[6a]C[6a]H)2(CSiHS){1|C<3>,2|H<1>}	Si(C[6a]C[6a]2)2(CC[6a]HS)2	114.6617	5.018	4	114.6617	25.178	4	114.6617	25.178	4	114.6617	25.178	4	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:3:1:	3:3:4:	3:4:4:4:	C[6a]-3:Si-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	C(C[6a]C[6a]2)(SiC[6a]CC)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CSiCH)	Si(C[6a]C[6a]2)(CC[6a]CH)(CH3)2	C(C[6a]C[6a]2)(SiC[6a]CC)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CSiCH){1|C<3>,2|H<1>}	Si(C[6a]C[6a]2)(CC[6a]CH)(CH3)2	109.3510	0.000	1	109.3510	0.000	1	109.3510	0.000	1	110.8193	1.385	6	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:3:1:	3:3:4:	3:4:4:4:	C[6a]-3:Si-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	C(C[6a]C[6a]2)(SiC[6a]CC)(NHP)(H)	C[6a](C[6a]C[6a]H)2(CSiHN)	Si(C[6a]C[6a]2)(CC[6a]HN)(CH3)2	C(C[6a]C[6a]2)(SiC[6a]CC)(NHP)(H)	C[6a](C[6a]C[6a]H)2(CSiHN){1|C<3>,1|C<4>,1|H<1>}	Si(C[6a]C[6a]2)(CC[6a]HN)(CH3)2	111.8400	0.000	1	111.8400	0.000	1	111.1130	1.085	5	110.8193	1.385	6	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:3:1:	3:3:4:	3:4:4:4:	C[6a]-3:Si-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	C(C[6a]C[6a]2)(SiC[6a]CC)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CSiHN)	Si(C[6a]C[6a]2)(CC[6a]HN)(CH3)2	C(C[6a]C[6a]2)(SiC[6a]CC)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CSiHN){1|C<3>,2|H<1>}	Si(C[6a]C[6a]2)(CC[6a]HN)(CH3)2	110.9313	1.107	4	110.9313	1.226	4	111.1130	1.085	5	110.8193	1.385	6	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:3:1:	3:3:4:	4:3:4:4:	C[6a]-3:Si-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[6a]-3:C-4:C-4:	C(C[6a]C[6a]2)(SiC[6a]CC)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6]SiH)	Si(CC[6a]C[6]H)(C[6a]C[6a]2)(CH3)2	C(C[6a]C[6a]2)(SiC[6a]CC)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6]SiH){1|C<3>,2|H<1>}	Si(CC[6a]C[6]H)(C[6a]C[6a]2)(CH3)2	116.9635	2.306	2	116.9635	5.317	2	116.9635	5.317	2	116.9635	5.317	2	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:3:1:	3:3:4:	4:4:4:4:	C[6a]-3:Si-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(SiC3)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CSiCH)	Si(CC[6a]CH)(CH3)3	C(C[6a]C[6a]2)(SiC3)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CSiCH){1|C<3>,2|H<1>}	Si(CC[6a]CH)(CH3)3	111.3550	0.000	1	111.3550	0.000	1	111.3550	0.000	1	110.7730	0.677	2	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:3:1:	3:3:4:	4:4:4:4:	C[6a]-3:Si-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(SiC3)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CSiHN)	Si(CC[6a]HN)(CH3)3	C(C[6a]C[6a]2)(SiC3)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CSiHN){1|C<3>,2|H<1>}	Si(CC[6a]HN)(CH3)3	110.1910	0.000	1	110.1910	0.000	1	110.1910	0.000	1	110.7730	0.677	2	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:4:1:	3:2:4:	4:4:4:4:	C[6a]-3:Si-4:Si-4:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]N[6a])(SiC3)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSi2H)	Si(CC[6a]SiH)(CH3)3	C(C[6a]C[6a]N[6a])(SiC3)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSi2H){1|C<3>,2|H<1>}	Si(CC[6a]SiH)(CH3)3	108.2990	0.000	1	108.2990	0.000	1	110.9150	13.687	2	110.9150	13.687	2	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:4:1:	3:2:4:	4:4:4:4:	C[6a]-3:Si-4:Si-4:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]N[6a])(SiC3)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSi2H)	Si(CC[6a]SiH)2(CH3)2	C(C[6a]C[6a]N[6a])(SiC3)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSi2H){1|C<3>,2|H<1>}	Si(CC[6a]SiH)2(CH3)2	113.5310	0.000	1	113.5310	0.000	1	110.9150	13.687	2	110.9150	13.687	2	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:4:1:	3:3:4:	3:4:1:1:	C[6a]-3:Si-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C(C[6a]C[6a]2)(SiC[6a]HH)(CH3)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CSiCH)	Si(C[6a]C[6a]2)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(SiC[6a]HH)(CH3)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CSiCH){1|H<1>,2|C<3>}	Si(C[6a]C[6a]2)(CC[6a]CH)(H)2	111.4910	0.000	1	111.4910	0.000	1	111.4910	0.000	1	111.4910	0.000	1	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:4:1:	3:3:4:	3:4:2:1:	C[6a]-3:Si-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:O-2:H-1:	C(C[6a]C[6a]2)(SiC[6a]HO)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CSiCH)	Si(C[6a]C[6a]2)(CC[6a]CH)(OC[6a])(H)	C(C[6a]C[6a]2)(SiC[6a]HO)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CSiCH){1|C<3>,2|H<1>}	Si(C[6a]C[6a]2)(CC[6a]CH)(OC[6a])(H)	110.7000	0.000	1	110.7000	0.000	1	110.7000	0.000	1	110.7000	0.000	1	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:4:1:	3:3:4:	3:4:4:4:	C[6a]-3:Si-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	C(C[6a]C[6a]2)(SiC[6a]CC)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CSiCH)	Si(C[6a]C[6a]2)(CC[6a]CH)(CH3)2	C(C[6a]C[6a]2)(SiC[6a]CC)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CSiCH){1|C<3>,2|H<1>}	Si(C[6a]C[6a]2)(CC[6a]CH)(CH3)2	110.5610	0.000	1	110.5610	0.000	1	110.9220	0.261	2	110.9220	0.261	2	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:4:1:	3:3:4:	3:4:4:4:	C[6a]-3:Si-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	C(C[6a]C[6a]2)(SiC[6a]CC)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CSiCH)	Si(C[6a]C[6a]2)(CC[6a]CH)(CH3)2	C(C[6a]C[6a]2)(SiC[6a]CC)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CSiCH){1|C<3>,2|H<1>}	Si(C[6a]C[6a]2)(CC[6a]CH)(CH3)2	111.2830	0.000	1	111.2830	0.000	1	110.9220	0.261	2	110.9220	0.261	2	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:4:1:	3:3:4:	4:1:1:1:	C[6a]-3:C-4:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:Cl-1:Cl-1:Cl-1:	C(C[6a]C[6a]2)(CC[6a]SiH)(SiCl3)(H)	C[6a](C[6a]C[6a]H)2(CSiCH)	Si(CC[6a]CH)(Cl)3	C(C[6a]C[6a]2)(CC[6a]SiH)(SiCl3)(H)	C[6a](C[6a]C[6a]H)2(CSiCH){1|C<3>,2|H<1>}	Si(CC[6a]CH)(Cl)3	109.8930	0.000	1	109.8930	0.000	1	109.8930	0.000	1	109.8930	0.000	1	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:4:1:	3:3:4:	4:4:4:4:	C[6a]-3:C-4:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(CCCH)(SiC3)(H)	C[6a](C[6a]C[6a]H)2(CSiCH)	Si(CC[6a]CH)(CH3)3	C(C[6a]C[6a]2)(CCCH)(SiC3)(H)	C[6a](C[6a]C[6a]H)2(CSiCH){1|C<3>,2|H<1>}	Si(CC[6a]CH)(CH3)3	108.7940	0.000	1	108.7940	0.000	1	109.6420	1.438	2	112.5016	4.184	389	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:4:1:	3:3:4:	4:4:4:4:	C[6a]-3:C-4:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(CCHH)(SiC3)(H)	C[6a](C[6a]C[6a]H)2(CSiCH)	Si(CC[6a]CH)(CH3)3	C(C[6a]C[6a]2)(CCHH)(SiC3)(H)	C[6a](C[6a]C[6a]H)2(CSiCH){1|C<3>,2|H<1>}	Si(CC[6a]CH)(CH3)3	110.4900	0.000	1	110.4900	0.000	1	109.6420	1.438	2	112.5016	4.184	389	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:4:1:	3:3:4:	4:4:4:4:	C[6a]-3:Si-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(SiC3)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CSiCH)	Si(CC[6a]CH)(CCHH)3	C(C[6a]C[6a]2)(SiC3)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CSiCH){1|C<3>,1|H<1>,1|O<2>}	Si(CC[6a]CH)(CCHH)3	112.4440	0.000	1	112.4440	0.000	1	114.4717	14.209	3	112.5016	4.184	389	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:4:1:	3:3:4:	4:4:4:4:	C[6a]-3:Si-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(SiC3)(CH3)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CSiCH)	Si(CC[6a]CH)(CH3)3	C(C[6a]C[6a]2)(SiC3)(CH3)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CSiCH){2|H<1>,3|C<3>}	Si(CC[6a]CH)(CH3)3	115.4855	4.717	2	115.4855	22.251	2	114.4717	14.209	3	112.5016	4.184	389	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:4:1:	3:3:4:	4:4:4:4:	C[6a]-3:Si-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:Si-4:C-4:C-4:	C(C[6a]C[6a]2)(SiSiCC)(CSi2H)(H)	C[6a](C[6a]C[6a]H)2(CSiCH)	Si(CC[6a]CH)(SiC3)(CH3)2	C(C[6a]C[6a]2)(SiSiCC)(CSi2H)(H)	C[6a](C[6a]C[6a]H)2(CSiCH){1|C<3>,2|H<1>}	Si(CC[6a]CH)(SiC3)(CH3)2	113.6760	0.000	1	113.6760	0.000	1	113.6760	0.000	1	112.5016	4.184	389	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:4:1:	3:3:4:	4:4:4:4:	C[6a]-3:Si-4:Si-4:H-1:	C[4,6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[4,6a]C[6a])(SiC3)2(H)	C[6a](C[4,6a]C[4,6a]Si[4,6])(C[6a]C[6a]H)(CSi2H)	Si(CC[6a]SiH)(CH3)3	C(C[6a]C[4,6a]C[6a])(SiC3)2(H)	C[6a](C[4,6a]C[4,6a]Si[4,6])(C[6a]C[6a]H)(CSi2H){1|Li<8>,1|C<3>,4|C<4>}	Si(CC[6a]SiH)(CH3)3	111.7100	0.940	4	111.7100	0.883	4	112.1605	1.752	6	112.5016	4.184	389	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:4:1:	3:3:4:	4:4:4:4:	C[6a]-3:Si-4:Si-4:H-1:	C[4,6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[4,6a]C[6a])(SiC3)2(H)	C[6a](C[4,6a]C[4,6a]Si[4])(C[6a]C[6a]H)(CSi2H)	Si(CC[6a]SiH)(CH3)3	C(C[6a]C[4,6a]C[6a])(SiC3)2(H)	C[6a](C[4,6a]C[4,6a]Si[4])(C[6a]C[6a]H)(CSi2H){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	Si(CC[6a]SiH)(CH3)3	113.0615	1.917	2	113.0615	3.675	2	112.1605	1.752	6	112.5016	4.184	389	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:4:1:	3:3:4:	4:4:4:4:	C[6a]-3:Si-4:Si-4:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[5,6a]C[6a])(SiC3)2(H)	C[6a](C[5,6a]C[5,6a]Ge[5,6])(C[6a]C[6a]H)(CSi2H)	Si(CC[6a]SiH)(CH3)3	C(C[6a]C[5,6a]C[6a])(SiC3)2(H)	C[6a](C[5,6a]C[5,6a]Ge[5,6])(C[6a]C[6a]H)(CSi2H){1|O<2>,2|C<4>,3|C<3>}	Si(CC[6a]SiH)(CH3)3	113.4850	1.157	2	113.4850	1.338	2	112.6532	9.010	4	112.5016	4.184	389	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:4:1:	3:3:4:	4:4:4:4:	C[6a]-3:Si-4:Si-4:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[5,6a]C[6a])(SiC3)2(H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(CSi2H)	Si(CC[6a]SiH)(CH3)3	C(C[6a]C[5,6a]C[6a])(SiC3)2(H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(CSi2H){1|B<3>,1|H<1>,2|C<3>,2|C<4>}	Si(CC[6a]SiH)(CH3)3	111.8215	4.788	2	111.8215	22.923	2	112.6532	9.010	4	112.5016	4.184	389	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:4:1:	3:3:4:	4:4:4:4:	C[6a]-3:Si-4:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(CSi2H)	Si(CC[6a]SiH)(CH3)3	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(CSi2H){1|C<3>,2|C<4>}	Si(CC[6a]SiH)(CH3)3	111.3490	1.572	4	111.3490	2.472	4	112.5018	4.106	373	112.5016	4.184	389	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:4:1:	3:3:4:	4:4:4:4:	C[6a]-3:Si-4:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CSi2H)	Si(CC[6a]SiH)(CH3)3	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CSi2H){1|C<3>,2|C<4>}	Si(CC[6a]SiH)(CH3)3	112.5765	2.456	2	112.5765	6.031	2	112.5018	4.106	373	112.5016	4.184	389	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:4:1:	3:3:4:	4:4:4:4:	C[6a]-3:Si-4:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]Al)(C[6a]C[6a]H)(CSi2H)	Si(CC[6a]SiH)(CH3)3	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]Al)(C[6a]C[6a]H)(CSi2H){1|C<3>,1|C<4>,1|H<1>}	Si(CC[6a]SiH)(CH3)3	112.3154	1.388	8	112.3154	1.926	8	112.5018	4.106	373	112.5016	4.184	389	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:4:1:	3:3:4:	4:4:4:4:	C[6a]-3:Si-4:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]Bi)(C[6a]C[6a]H)(CSi2H)	Si(CC[6a]SiH)(CH3)3	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]Bi)(C[6a]C[6a]H)(CSi2H){1|C<3>,2|C<4>}	Si(CC[6a]SiH)(CH3)3	111.0980	0.465	4	111.0980	0.216	4	112.5018	4.106	373	112.5016	4.184	389	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:4:1:	3:3:4:	4:4:4:4:	C[6a]-3:Si-4:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CSi2H)	Si(CC[6a]SiH)(CH3)3	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CSi2H){1|C<3>,2|C<4>}	Si(CC[6a]SiH)(CH3)3	112.2195	4.187	4	112.2195	17.534	4	112.5018	4.106	373	112.5016	4.184	389	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:4:1:	3:3:4:	4:4:4:4:	C[6a]-3:Si-4:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(CSi2H)	Si(CC[6a]SiH)(CH3)3	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(CSi2H){1|C<3>,2|C<4>}	Si(CC[6a]SiH)(CH3)3	111.7858	1.673	24	111.7858	2.798	24	112.5018	4.106	373	112.5016	4.184	389	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:4:1:	3:3:4:	4:4:4:4:	C[6a]-3:Si-4:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]Ge[4])(C[6a]C[6a]H)(CSi2H)	Si(CC[6a]SiH)(CH3)3	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]Ge[4])(C[6a]C[6a]H)(CSi2H){1|Ge<3>,1|C<3>,3|C<4>}	Si(CC[6a]SiH)(CH3)3	111.2591	1.133	8	111.2591	1.283	8	112.5018	4.106	373	112.5016	4.184	389	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:4:1:	3:3:4:	4:4:4:4:	C[6a]-3:Si-4:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]Ge[5])(C[6a]C[6a]H)(CSi2H)	Si(CC[6a]SiH)(CH3)3	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]Ge[5])(C[6a]C[6a]H)(CSi2H){1|O<2>,2|C<4>,3|C<3>}	Si(CC[6a]SiH)(CH3)3	113.6139	2.705	12	113.6139	7.315	12	112.5018	4.106	373	112.5016	4.184	389	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:4:1:	3:3:4:	4:4:4:4:	C[6a]-3:Si-4:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]Ge[6])(C[6a]C[6a]H)(CSi2H)	Si(CC[6a]SiH)(CH3)3	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]Ge[6])(C[6a]C[6a]H)(CSi2H){1|Ge<3>,2|C<3>,2|C<4>}	Si(CC[6a]SiH)(CH3)3	111.7408	1.690	4	112.9007	6.563	24	112.5018	4.106	373	112.5016	4.184	389	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:4:1:	3:3:4:	4:4:4:4:	C[6a]-3:Si-4:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]Ge[6])(C[6a]C[6a]H)(CSi2H)	Si(CC[6a]SiH)(CH3)3	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]Ge[6])(C[6a]C[6a]H)(CSi2H){1|O<2>,2|C<4>,3|C<3>}	Si(CC[6a]SiH)(CH3)3	112.1790	2.618	4	112.9007	6.563	24	112.5018	4.106	373	112.5016	4.184	389	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:4:1:	3:3:4:	4:4:4:4:	C[6a]-3:Si-4:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]Ge[6])(C[6a]C[6a]H)(CSi2H)	Si(CC[6a]SiH)(CH3)3	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]Ge[6])(C[6a]C[6a]H)(CSi2H){2|C<4>,3|C<3>}	Si(CC[6a]SiH)(CH3)3	112.9967	2.851	12	112.9007	6.563	24	112.5018	4.106	373	112.5016	4.184	389	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:4:1:	3:3:4:	4:4:4:4:	C[6a]-3:Si-4:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]Ge[6])(C[6a]C[6a]H)(CSi2H)	Si(CC[6a]SiH)(CH3)3	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]Ge[6])(C[6a]C[6a]H)(CSi2H){3|C<3>,3|C<4>}	Si(CC[6a]SiH)(CH3)3	114.4942	2.211	4	112.9007	6.563	24	112.5018	4.106	373	112.5016	4.184	389	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:4:1:	3:3:4:	4:4:4:4:	C[6a]-3:Si-4:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CSi2H)	Si(CC[6a]SiH)(CH3)3	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CSi2H){1|C<3>,1|C<4>,1|H<1>}	Si(CC[6a]SiH)(CH3)3	111.8255	1.593	16	111.8255	2.538	16	112.5018	4.106	373	112.5016	4.184	389	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:4:1:	3:3:4:	4:4:4:4:	C[6a]-3:Si-4:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CSi2H)	Si(CC[6a]SiH)(CH3)3	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CSi2H){1|C<3>,2|C<4>}	Si(CC[6a]SiH)(CH3)3	112.8471	1.871	56	112.8471	3.502	56	112.5018	4.106	373	112.5016	4.184	389	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:4:1:	3:3:4:	4:4:4:4:	C[6a]-3:Si-4:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CSi2H)	Si(CC[6a]SiH)(CH3)3	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CSi2H){1|C<3>,2|C<4>}	Si(CC[6a]SiH)(CH3)3	112.8139	2.357	12	112.8139	5.553	12	112.5018	4.106	373	112.5016	4.184	389	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:4:1:	3:3:4:	4:4:4:4:	C[6a]-3:Si-4:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]H)2(CSi2H)	Si(CC[6a]SiH)(CH3)3	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]H)2(CSi2H){1|C<3>,2|C<4>}	Si(CC[6a]SiH)(CH3)3	112.7699	1.186	67	112.7699	1.405	67	112.5018	4.106	373	112.5016	4.184	389	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:4:1:	3:3:4:	4:4:4:4:	C[6a]-3:Si-4:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CSi2H)	Si(CC[6a]SiH)(CH3)3	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CSi2H){1|C<3>,2|C<4>}	Si(CC[6a]SiH)(CH3)3	111.0404	0.748	8	111.0404	0.559	8	112.5018	4.106	373	112.5016	4.184	389	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:4:1:	3:3:4:	4:4:4:4:	C[6a]-3:Si-4:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CSi2H)	Si(CC[6a]SiH)(CH3)3	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CSi2H){1|C<3>,1|C<4>,1|H<1>}	Si(CC[6a]SiH)(CH3)3	111.3623	1.168	12	112.5235	6.161	68	112.5018	4.106	373	112.5016	4.184	389	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:4:1:	3:3:4:	4:4:4:4:	C[6a]-3:Si-4:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CSi2H)	Si(CC[6a]SiH)(CH3)3	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CSi2H){1|C<3>,2|C<4>}	Si(CC[6a]SiH)(CH3)3	112.7723	2.622	56	112.5235	6.161	68	112.5018	4.106	373	112.5016	4.184	389	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:4:1:	3:3:4:	4:4:4:4:	C[6a]-3:Si-4:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]Si[3])(C[6a]C[6a]H)(CSi2H)	Si(CC[6a]SiH)(CH3)3	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]Si[3])(C[6a]C[6a]H)(CSi2H){1|Br<1>,2|C<4>,3|C<3>}	Si(CC[6a]SiH)(CH3)3	111.7385	2.046	8	111.9140	5.507	12	112.5018	4.106	373	112.5016	4.184	389	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:4:1:	3:3:4:	4:4:4:4:	C[6a]-3:Si-4:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]Si[3])(C[6a]C[6a]H)(CSi2H)	Si(CC[6a]SiH)(CH3)3	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]Si[3])(C[6a]C[6a]H)(CSi2H){2|C<4>,4|C<3>}	Si(CC[6a]SiH)(CH3)3	112.2650	3.190	4	111.9140	5.507	12	112.5018	4.106	373	112.5016	4.184	389	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:4:1:	3:3:4:	4:4:4:4:	C[6a]-3:Si-4:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]Si[6])(C[6a]C[6a]H)(CSi2H)	Si(CC[6a]SiH)(CH3)3	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]Si[6])(C[6a]C[6a]H)(CSi2H){1|C<3>,1|H<1>,4|C<4>}	Si(CC[6a]SiH)(CH3)3	112.6550	1.346	4	112.8249	2.917	16	112.5018	4.106	373	112.5016	4.184	389	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:4:1:	3:3:4:	4:4:4:4:	C[6a]-3:Si-4:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]Si[6])(C[6a]C[6a]H)(CSi2H)	Si(CC[6a]SiH)(CH3)3	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]Si[6])(C[6a]C[6a]H)(CSi2H){1|O<2>,2|C<4>,3|C<3>}	Si(CC[6a]SiH)(CH3)3	112.7507	0.811	4	112.8249	2.917	16	112.5018	4.106	373	112.5016	4.184	389	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:4:1:	3:3:4:	4:4:4:4:	C[6a]-3:Si-4:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]Si[6])(C[6a]C[6a]H)(CSi2H)	Si(CC[6a]SiH)(CH3)3	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]Si[6])(C[6a]C[6a]H)(CSi2H){2|C<4>,3|C<3>}	Si(CC[6a]SiH)(CH3)3	112.9470	2.271	8	112.8249	2.917	16	112.5018	4.106	373	112.5016	4.184	389	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:4:1:	3:3:4:	4:4:4:4:	C[6a]-3:Si-4:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(CSi2H)	Si(CC[6a]SiH)(CH3)3	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(CSi2H){1|C<3>,2|C<4>}	Si(CC[6a]SiH)(CH3)3	111.5421	1.587	12	111.5421	2.517	12	112.5018	4.106	373	112.5016	4.184	389	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:4:1:	3:3:4:	4:4:4:4:	C[6a]-3:Si-4:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]Ge[4,4]C[6a])(C[6a]C[6a]H)(CSi2H)	Si(CC[6a]SiH)(CH3)3	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]Ge[4,4]C[6a])(C[6a]C[6a]H)(CSi2H){1|Ge<4>,1|C<3>,4|C<4>}	Si(CC[6a]SiH)(CH3)3	114.1644	1.757	8	113.4463	7.342	12	112.5018	4.106	373	112.5016	4.184	389	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:4:1:	3:3:4:	4:4:4:4:	C[6a]-3:Si-4:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]Ge[4,4]C[6a])(C[6a]C[6a]H)(CSi2H)	Si(CC[6a]SiH)(CH3)3	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]Ge[4,4]C[6a])(C[6a]C[6a]H)(CSi2H){1|Ge<4>,2|C<4>,3|C<3>}	Si(CC[6a]SiH)(CH3)3	112.0100	3.949	4	113.4463	7.342	12	112.5018	4.106	373	112.5016	4.184	389	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:4:1:	3:3:4:	4:4:4:4:	C[6a]-3:Si-4:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]Si[5,5]C[6a])(C[6a]C[6a]H)(CSi2H)	Si(CC[6a]SiH)(CH3)3	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]Si[5,5]C[6a])(C[6a]C[6a]H)(CSi2H){1|C<3>,1|H<1>,4|C<4>}	Si(CC[6a]SiH)(CH3)3	112.2380	1.464	4	112.2380	2.143	4	112.5018	4.106	373	112.5016	4.184	389	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:4:2:	3:3:4:	4:4:4:4:	C[6a]-3:C-4:Si-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(CCHH)(SiC3)(OC)	C[6a](C[6a]C[6a]H)2(CSiCO)	Si(CC[6a]CO)(CH3)3	C(C[6a]C[6a]2)(CCHH)(SiC3)(OC)	C[6a](C[6a]C[6a]H)2(CSiCO){1|C<3>,2|H<1>}	Si(CC[6a]CO)(CH3)3	105.8820	0.000	1	105.8820	0.000	1	105.8820	0.000	1	105.8820	0.000	1	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:4:4:	3:2:4:	4:1:1:1:	C[6a]-3:Si-4:Si-4:Si-4:	C[6a]-3:N[6a]-2:C-4:	C-4:Cl-1:Cl-1:H-1:	C(C[6a]C[6a]N[6a])(SiCl2H)(SiC3)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSi3)	Si(CC[6a]Si2)(Cl)2(H)	C(C[6a]C[6a]N[6a])(SiCl2H)(SiC3)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSi3){1|C<3>,1|C<4>,1|H<1>}	Si(CC[6a]Si2)(Cl)2(H)	92.1788	0.197	2	92.1788	0.039	2	92.1788	0.039	2	92.1788	0.039	2	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:4:4:	3:2:4:	4:4:3:3:	C[6a]-3:Si-4:Si-4:Si-4:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:C-3:C-3:	C(C[6a]C[6a]N[6a])(SiCl2H)(SiC3)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSi3)	Si(CC[6a]Si2)(CH3)(CHH)2	C(C[6a]C[6a]N[6a])(SiCl2H)(SiC3)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSi3){1|C<3>,1|C<4>,1|H<1>}	Si(CC[6a]Si2)(CH3)(CHH)2	108.4710	0.000	1	108.4710	0.000	1	108.4710	0.000	1	108.4710	0.000	1	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:4:4:	3:2:4:	4:4:4:3:	C[6a]-3:Si-4:Si-4:Si-4:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:C-4:C-3:	C(C[6a]C[6a]N[6a])(SiCl2H)(SiC3)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSi3)	Si(CC[6a]Si2)(CH3)2(CHH)	C(C[6a]C[6a]N[6a])(SiCl2H)(SiC3)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSi3){1|C<3>,1|C<4>,1|H<1>}	Si(CC[6a]Si2)(CH3)2(CHH)	112.9830	0.000	1	112.9830	0.000	1	112.9830	0.000	1	112.9830	0.000	1	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:4:4:	3:2:4:	4:4:4:4:	C[6a]-3:Si-4:Si-4:Si-4:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]N[6a])(SiCl2H)(SiC3)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSi3)	Si(CC[6a]Si2)(CH3)3	C(C[6a]C[6a]N[6a])(SiCl2H)(SiC3)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSi3){1|C<3>,1|C<4>,1|H<1>}	Si(CC[6a]Si2)(CH3)3	110.0315	3.208	2	110.0315	10.292	2	110.0315	10.292	2	110.0315	10.292	2	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:4:4:	3:3:4:	4:4:2:2:	C[6a]-3:Si-4:Si-4:Si-4:	C[6a]-3:C[6a]-3:C-4:	C-4:Si-4:O-2:O-2:	C(C[6a]C[6a]2)(SiSiOO)(SiC3)2	C[6a](C[6a]C[6a]H)2(CSi3)	Si(CC[6a]Si2)(SiC3)(OSi)(OH)	C(C[6a]C[6a]2)(SiSiOO)(SiC3)2	C[6a](C[6a]C[6a]H)2(CSi3){1|C<3>,2|H<1>}	Si(CC[6a]Si2)(SiC3)(OSi)(OH)	109.1910	0.000	1	109.1910	0.000	1	109.1910	0.000	1	109.1910	0.000	1	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:4:4:	3:3:4:	4:4:4:4:	C[6a]-3:Si-4:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(SiC[5]CC)(CH3)2	C[6a](C[6a]C[6a]H)2(CSiCC)	Si(C[5]C[5]2C)(CC[6a]CC)(CH3)2	C(C[6a]C[6a]2)(SiC[5]CC)(CH3)2	C[6a](C[6a]C[6a]H)2(CSiCC){1|C<3>,2|H<1>}	Si(C[5]C[5]2C)(CC[6a]CC)(CH3)2	110.9580	0.000	1	110.9580	0.000	1	110.9580	0.000	1	109.8139	15.157	45	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:4:4:	3:3:4:	4:4:4:4:	C[6a]-3:Si-4:Si-4:Si-4:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(SiC3)3	C[6a](C[6a]C[6a]H)2(CSi3)	Si(CC[6a]Si2)(CH3)3	C(C[6a]C[6a]2)(SiC3)3	C[6a](C[6a]C[6a]H)2(CSi3){1|C<3>,2|C<4>}	Si(CC[6a]Si2)(CH3)3	109.7850	3.818	42	109.7850	14.574	42	109.7879	15.478	44	109.8139	15.157	45	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	3:4:4:4:	3:3:4:	4:4:4:4:	C[6a]-3:Si-4:Si-4:Si-4:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(SiSiOO)(SiC3)2	C[6a](C[6a]C[6a]H)2(CSi3)	Si(CC[6a]Si2)(CH3)3	C(C[6a]C[6a]2)(SiSiOO)(SiC3)2	C[6a](C[6a]C[6a]H)2(CSi3){1|C<3>,2|H<1>}	Si(CC[6a]Si2)(CH3)3	109.8470	8.248	2	109.8470	68.024	2	109.7879	15.478	44	109.8139	15.157	45	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	4:3:4:1:	3:3:4:	4:4:4:4:	B[5a]-4:C[6a]-3:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(B[5a]O[5a]2N[6])(C[6a]C[6a]2)(SiC3)(H)	C[6a](C[6a]C[6a]F)2(CB[5a]SiH)	Si(CB[5a]C[6a]H)(CH3)3	C(B[5a]O[5a]2N[6])(C[6a]C[6a]2)(SiC3)(H)	C[6a](C[6a]C[6a]F)2(CB[5a]SiH){1|C<3>,2|F<1>}	Si(CB[5a]C[6a]H)(CH3)3	111.0950	0.000	1	111.0950	0.000	1	110.8810	0.302	3	110.8810	0.302	3	112.3149	9.062	540	112.3149	9.062	540
490	643	880	0:SP3_SP2_SP3	C	C[6a]	Si	4:3:4:1:	3:3:4:	4:4:4:4:	B[5a]-4:C[6a]-3:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(B[5a]O[5a]2N[6])(C[6a]C[6a]2)(SiC3)(H)	C[6a](C[6a]C[6a]H)2(CB[5a]SiH)	Si(CB[5a]C[6a]H)(CH3)3	C(B[5a]O[5a]2N[6])(C[6a]C[6a]2)(SiC3)(H)	C[6a](C[6a]C[6a]H)2(CB[5a]SiH){1|C<3>,2|H<1>}	Si(CB[5a]C[6a]H)(CH3)3	110.7740	0.731	2	110.7740	0.535	2	110.8810	0.302	3	110.8810	0.302	3	112.3149	9.062	540	112.3149	9.062	540
490	643	882	0:SP3_SP2_SP3	C	C[6a]	P[4]	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:P[4]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[4]-4:C[4]-4:C-4:	C(C[6a]C[6a]2)(P[4]C[4]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CP[4]HH)	P[4](C[4]C[4]CC)2(CC[6a]HH)	C(C[6a]C[6a]2)(P[4]C[4]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CP[4]HH){1|C<3>,2|H<1>}	P[4](C[4]C[4]CC)2(CC[6a]HH){1|C<4>,1|H<1>}	111.9180	2.025	2	111.9180	4.101	2	111.9180	4.101	2	111.9180	4.101	2	108.5918	24.376	8	108.5918	24.376	8
490	643	882	0:SP3_SP2_SP3	C	C[6a]	P[4]	3:3:3:3:	4:3:3:	4:2:4:	P[4]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C[4]-4:O[4]-2:C-4:	C(P[4]C[4]O[4])(C[6a]C[6a]2)3	C[6a](CC[6a]2P[4])(C[6a]C[6a]H)2	P[4](C[4]C[4]HH)(O[4]C[4])(CC[6a]3)	C(P[4]C[4]O[4])(C[6a]C[6a]2)3	C[6a](CC[6a]2P[4])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	P[4](C[4]C[4]HH)(O[4]C[4])(CC[6a]3){1|C<4>,1|H<1>}	107.4830	5.235	6	107.4830	27.405	6	107.4830	27.405	6	107.4830	27.405	6	108.5918	24.376	8	108.5918	24.376	8
490	643	887	0:SP3_SP2_SP3	C	C[6a]	S	3:3:1:1:	3:2:4:	3:4:1:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[5a]-3:C-4:O-1:	C(C[6a]C[6a]N[6a])(SC[5a]O)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CHHS)	S(C[5a]N[5a]2)(CC[6a]HH)(O)	C(C[6a]C[6a]N[6a])(SC[5a]O)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CHHS){1|C<3>,1|H<1>,1|N<3>}	S(C[5a]N[5a]2)(CC[6a]HH)(O)	107.7450	0.000	1	109.2274	1.217	5	109.2274	1.217	5	109.2274	1.217	5	110.7889	6.800	109	110.7889	6.800	109
490	643	887	0:SP3_SP2_SP3	C	C[6a]	S	3:3:1:1:	3:2:4:	3:4:1:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[5a]-3:C-4:O-1:	C(C[6a]C[6a]N[6a])(SC[5a]O)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CHHS)	S(C[5a]N[5a]2)(CC[6a]HH)(O)	C(C[6a]C[6a]N[6a])(SC[5a]O)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CHHS){1|C<3>,1|H<1>,1|O<2>}	S(C[5a]N[5a]2)(CC[6a]HH)(O)	109.5980	0.841	4	109.2274	1.217	5	109.2274	1.217	5	109.2274	1.217	5	110.7889	6.800	109	110.7889	6.800	109
490	643	887	0:SP3_SP2_SP3	C	C[6a]	S	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:S-3:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	N[6]-3:C-4:O-1:	C(C[6a]C[6a]2)(SN[6]O)(F)2	C[6a](C[6a]C[6a]H)2(CFFS)	S(N[6]C[6]2)(CC[6a]FF)(O)	C(C[6a]C[6a]2)(SN[6]O)(F)2	C[6a](C[6a]C[6a]H)2(CFFS){1|C<3>,2|H<1>}	S(N[6]C[6]2)(CC[6a]FF)(O)	110.6190	0.000	1	110.6190	0.000	1	110.6190	0.000	1	109.3127	4.664	10	110.7889	6.800	109	110.7889	6.800	109
490	643	887	0:SP3_SP2_SP3	C	C[6a]	S	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C-4:O-1:	C(C[6a]C[6a]2)(SC[6]O)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	S(C[6]C[6]2)(CC[6a]HH)(O)	C(C[6a]C[6a]2)(SC[6]O)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	S(C[6]C[6]2)(CC[6a]HH)(O)	108.3470	0.000	1	108.3470	0.000	1	108.3470	0.000	1	109.3127	4.664	10	110.7889	6.800	109	110.7889	6.800	109
490	643	887	0:SP3_SP2_SP3	C	C[6a]	S	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:O-1:	C(C[6a]C[6a]2)(SC[6a]O)(H)2	C[6a](C[6a]C[6a]F)2(CHHS)	S(C[6a]C[6a]2)(CC[6a]HH)(O)	C(C[6a]C[6a]2)(SC[6a]O)(H)2	C[6a](C[6a]C[6a]F)2(CHHS){1|C<3>,2|F<1>}	S(C[6a]C[6a]2)(CC[6a]HH)(O)	112.2520	1.014	2	112.2520	1.028	2	109.2701	5.618	8	109.3127	4.664	10	110.7889	6.800	109	110.7889	6.800	109
490	643	887	0:SP3_SP2_SP3	C	C[6a]	S	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:O-1:	C(C[6a]C[6a]2)(SC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	S(C[6a]C[6a]2)(CC[6a]HH)(O)	C(C[6a]C[6a]2)(SC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CC[6a]HH)(O)	108.2762	1.708	6	108.2762	2.917	6	109.2701	5.618	8	109.3127	4.664	10	110.7889	6.800	109	110.7889	6.800	109
490	643	887	0:SP3_SP2_SP3	C	C[6a]	S	3:3:1:1:	3:3:4:	3:4:2:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:N-2:	C(C[6a]C[6a]2)(SC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	S(C[6a]C[6a]2)(CC[6a]HH)(NC)	C(C[6a]C[6a]2)(SC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CC[6a]HH)(NC)	111.3970	0.066	8	111.3970	0.004	8	110.8877	0.377	14	111.4524	2.798	16	110.7889	6.800	109	110.7889	6.800	109
490	643	887	0:SP3_SP2_SP3	C	C[6a]	S	3:3:1:1:	3:3:4:	3:4:2:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:N-2:	C(C[6a]C[6a]2)(SC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	S(C[6a]C[6a]2)(CC[6a]HH)(NS)	C(C[6a]C[6a]2)(SC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CC[6a]HH)(NS)	110.2087	0.075	6	110.2087	0.006	6	110.8877	0.377	14	111.4524	2.798	16	110.7889	6.800	109	110.7889	6.800	109
490	643	887	0:SP3_SP2_SP3	C	C[6a]	S	3:3:1:1:	3:3:4:	3:4:2:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:O-2:	C(C[6a]C[6a]2)(SC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	S(C[6a]C[6a]2)(CC[6a]HH)(OSn)	C(C[6a]C[6a]2)(SC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CC[6a]HH)(OSn)	115.4055	1.160	2	115.4055	1.346	2	115.4055	1.346	2	111.4524	2.798	16	110.7889	6.800	109	110.7889	6.800	109
490	643	887	0:SP3_SP2_SP3	C	C[6a]	S	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:O-1:	C(C[6a]C[6a]2)(SCO)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	S(CC[6a]HH)(CC[6a]C)(O)	C(C[6a]C[6a]2)(SCO)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	S(CC[6a]HH)(CC[6a]C)(O)	112.2480	0.305	2	112.2480	0.093	2	112.2480	0.093	2	113.0064	0.898	5	110.7889	6.800	109	110.7889	6.800	109
490	643	887	0:SP3_SP2_SP3	C	C[6a]	S	3:3:1:1:	3:3:4:	4:3:1:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-3:O-1:	C(C[6a]C[6a]2)(SNO)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	S(CC[6a]HH)(NCH)(O)	C(C[6a]C[6a]2)(SNO)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	S(CC[6a]HH)(NCH)(O)	113.5120	0.889	3	113.5120	0.790	3	113.5120	0.790	3	113.0064	0.898	5	110.7889	6.800	109	110.7889	6.800	109
490	643	887	0:SP3_SP2_SP3	C	C[6a]	S	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(SCH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS)	S(CC[6a]HH)(CH3)(H)	C(C[6a]C[6a]2)(SCH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS){1|C<3>,2|H<1>}	S(CC[6a]HH)(CH3)(H)	114.3290	0.000	1	114.3290	0.000	1	114.3290	0.000	1	111.7606	7.360	36	110.7889	6.800	109	110.7889	6.800	109
490	643	887	0:SP3_SP2_SP3	C	C[6a]	S	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:O-1:	C(C[6a]C[6a]2)(SCO)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHS)	S(CC[6a]HH)2(O)	C(C[6a]C[6a]2)(SCO)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHS){1|H<1>,4|C<3>}	S(CC[6a]HH)2(O)	115.9685	0.916	2	115.9240	0.724	4	111.6872	7.377	35	111.7606	7.360	36	110.7889	6.800	109	110.7889	6.800	109
490	643	887	0:SP3_SP2_SP3	C	C[6a]	S	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:O-1:	C(C[6a]C[6a]2)(SCO)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHS)	S(CC[6a]HH)2(O)	C(C[6a]C[6a]2)(SCO)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHS){2|H<1>,3|C<3>}	S(CC[6a]HH)2(O)	115.8795	1.152	2	115.9240	0.724	4	111.6872	7.377	35	111.7606	7.360	36	110.7889	6.800	109	110.7889	6.800	109
490	643	887	0:SP3_SP2_SP3	C	C[6a]	S	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:O-1:	C(C[6a]C[6a]2)(SCO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS)	S(CC[6a]HH)(CC3)(O)	C(C[6a]C[6a]2)(SCO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS){1|C<3>,2|H<1>}	S(CC[6a]HH)(CC3)(O)	110.3170	1.150	2	110.3170	1.322	2	111.6872	7.377	35	111.7606	7.360	36	110.7889	6.800	109	110.7889	6.800	109
490	643	887	0:SP3_SP2_SP3	C	C[6a]	S	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:O-1:	C(C[6a]C[6a]2)(SCO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHS)	S(CC[6a]HH)2(O)	C(C[6a]C[6a]2)(SCO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHS){1|C<3>,2|H<1>}	S(CC[6a]HH)2(O)	108.3560	0.854	2	108.3560	0.730	2	111.6872	7.377	35	111.7606	7.360	36	110.7889	6.800	109	110.7889	6.800	109
490	643	887	0:SP3_SP2_SP3	C	C[6a]	S	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:O-1:	C(C[6a]C[6a]2)(SCO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHS)	S(CC[6a]HH)2(O)	C(C[6a]C[6a]2)(SCO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHS){1|C<3>,2|H<1>}	S(CC[6a]HH)2(O)	116.5045	0.244	2	116.5045	0.060	2	111.6872	7.377	35	111.7606	7.360	36	110.7889	6.800	109	110.7889	6.800	109
490	643	887	0:SP3_SP2_SP3	C	C[6a]	S	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:O-1:	C(C[6a]C[6a]2)(SCO)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	S(CC[6a]HH)(CC3)(O)	C(C[6a]C[6a]2)(SCO)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,1|C<4>,1|H<1>}	S(CC[6a]HH)(CC3)(O)	110.8105	0.250	2	110.8653	0.040	3	111.6872	7.377	35	111.7606	7.360	36	110.7889	6.800	109	110.7889	6.800	109
490	643	887	0:SP3_SP2_SP3	C	C[6a]	S	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:O-1:	C(C[6a]C[6a]2)(SCO)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	S(CC[6a]HH)(CC3)(O)	C(C[6a]C[6a]2)(SCO)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	S(CC[6a]HH)(CC3)(O)	110.9750	0.000	1	110.8653	0.040	3	111.6872	7.377	35	111.7606	7.360	36	110.7889	6.800	109	110.7889	6.800	109
490	643	887	0:SP3_SP2_SP3	C	C[6a]	S	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:O-1:	C(C[6a]C[6a]2)(SCO)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	S(CC[6a]HH)(CCHH)(O)	C(C[6a]C[6a]2)(SCO)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	S(CC[6a]HH)(CCHH)(O)	110.1210	0.247	3	110.1210	0.061	3	111.6872	7.377	35	111.7606	7.360	36	110.7889	6.800	109	110.7889	6.800	109
490	643	887	0:SP3_SP2_SP3	C	C[6a]	S	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:O-1:	C(C[6a]C[6a]2)(SCO)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	S(CC[6a]HH)2(O)	C(C[6a]C[6a]2)(SCO)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	S(CC[6a]HH)2(O)	111.1602	2.205	19	111.1602	4.862	19	111.6872	7.377	35	111.7606	7.360	36	110.7889	6.800	109	110.7889	6.800	109
490	643	887	0:SP3_SP2_SP3	C	C[6a]	S	3:3:1:1:	3:3:4:	4:4:3:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(SCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	S(CC[6a]HH)2(CC[6a]C)	C(C[6a]C[6a]2)(SCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	S(CC[6a]HH)2(CC[6a]C)	110.9985	2.610	2	110.9985	6.812	2	110.9985	6.812	2	110.9985	6.812	2	110.7889	6.800	109	110.7889	6.800	109
490	643	887	0:SP3_SP2_SP3	C	C[6a]	S	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:Ga-4:C-4:	C(C[6a]C[6a]2)(SGaC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS)	S(CC[6a]HH)(GaCl3)(CCHH)	C(C[6a]C[6a]2)(SGaC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS){1|C<3>,2|H<1>}	S(CC[6a]HH)(GaCl3)(CCHH)	113.0340	0.000	1	113.0340	0.000	1	113.4575	0.359	2	113.1123	0.537	3	110.7889	6.800	109	110.7889	6.800	109
490	643	887	0:SP3_SP2_SP3	C	C[6a]	S	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:Ga-4:C-4:	C(C[6a]C[6a]2)(SGaC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS)	S(CC[6a]HH)(GaCl3)(CH3)	C(C[6a]C[6a]2)(SGaC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS){1|C<3>,2|H<1>}	S(CC[6a]HH)(GaCl3)(CH3)	113.8810	0.000	1	113.8810	0.000	1	113.4575	0.359	2	113.1123	0.537	3	110.7889	6.800	109	110.7889	6.800	109
490	643	887	0:SP3_SP2_SP3	C	C[6a]	S	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:In-4:C-4:	C(C[6a]C[6a]2)(SInC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS)	S(CC[6a]HH)(InCl2S)(CCHH)	C(C[6a]C[6a]2)(SInC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS){1|C<3>,2|H<1>}	S(CC[6a]HH)(InCl2S)(CCHH)	112.4220	0.000	1	112.4220	0.000	1	112.4220	0.000	1	113.1123	0.537	3	110.7889	6.800	109	110.7889	6.800	109
490	643	887	0:SP3_SP2_SP3	C	C[6a]	S	3:3:1:1:	3:3:4:	4:6:4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:Nb-6:C-4:	C(C[6a]C[6a]2)(SNbC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS)	S(CC[6a]HH)(NbCl4S)(CCHH)	C(C[6a]C[6a]2)(SNbC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS){1|C<3>,2|H<1>}	S(CC[6a]HH)(NbCl4S)(CCHH)	109.7090	0.000	1	109.7090	0.000	1	110.9903	3.634	3	110.9903	3.634	3	110.7889	6.800	109	110.7889	6.800	109
490	643	887	0:SP3_SP2_SP3	C	C[6a]	S	3:3:1:1:	3:3:4:	4:6:4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:Nb-6:C-4:	C(C[6a]C[6a]2)(SNbC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS)	S(CC[6a]HH)(NbCl5)(CH3)	C(C[6a]C[6a]2)(SNbC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS){1|C<3>,2|H<1>}	S(CC[6a]HH)(NbCl5)(CH3)	111.6310	2.192	2	111.6310	4.805	2	110.9903	3.634	3	110.9903	3.634	3	110.7889	6.800	109	110.7889	6.800	109
490	643	887	0:SP3_SP2_SP3	C	C[6a]	S	3:3:1:1:	3:3:4:	5:4:4:	S-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	B[3x3,3x5,12x6]-5:C-4:C-4:	C(SB[3x3,3x5,12x6]C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	S(B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(CC[6a]HH)(CH3)	C(SB[3x3,3x5,12x6]C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	S(B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(CC[6a]HH)(CH3)	110.9870	0.000	1	110.9870	0.000	1	110.9870	0.000	1	110.9870	0.000	1	110.7889	6.800	109	110.7889	6.800	109
490	643	887	0:SP3_SP2_SP3	C	C[6a]	S	3:3:1:1:	3:3:4:	6:4:4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	In[4]-6:C-4:C-4:	C(C[6a]C[6a]2)(SIn[4]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS)	S(In[4]Cl[4]2Cl2S)(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(SIn[4]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS){1|C<3>,2|H<1>}	S(In[4]Cl[4]2Cl2S)(CC[6a]HH)(CCHH)	114.7050	0.000	1	114.7050	0.000	1	114.7050	0.000	1	114.7050	0.000	1	110.7889	6.800	109	110.7889	6.800	109
490	643	887	0:SP3_SP2_SP3	C	C[6a]	S	3:3:3:1:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:S-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:O-1:	C(C[6a]C[6a]2)2(SCO)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HS)	S(CC[6a]2H)(CCHH)(O)	C(C[6a]C[6a]2)2(SCO)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HS){1|C<3>,2|H<1>}	S(CC[6a]2H)(CCHH)(O)	108.8283	2.114	16	108.8283	4.468	16	108.8283	4.468	16	108.8283	4.468	16	110.7889	6.800	109	110.7889	6.800	109
490	643	887	0:SP3_SP2_SP3	C	C[6a]	S	3:3:4:1:	3:3:4:	3:4:1:	C[6a]-3:S-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:O-1:	C(C[6a]C[6a]2)(SC[6a]O)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHS)	S(C[6a]C[6a]2)(CC[6a]CH)(O)	C(C[6a]C[6a]2)(SC[6a]O)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHS){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CC[6a]CH)(O)	111.7310	0.000	1	111.7310	0.000	1	108.7507	8.140	9	108.7507	8.140	9	110.7889	6.800	109	110.7889	6.800	109
490	643	887	0:SP3_SP2_SP3	C	C[6a]	S	3:3:4:1:	3:3:4:	3:4:1:	C[6a]-3:S-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:O-1:	C(C[6a]C[6a]2)(SC[6a]O)(CCHO)(H)	C[6a](C[6a]C[6a]H)2(CCHS)	S(C[6a]C[6a]2)(CC[6a]CH)(O)	C(C[6a]C[6a]2)(SC[6a]O)(CCHO)(H)	C[6a](C[6a]C[6a]H)2(CCHS){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CC[6a]CH)(O)	106.9220	0.000	1	106.9220	0.000	1	108.7507	8.140	9	108.7507	8.140	9	110.7889	6.800	109	110.7889	6.800	109
490	643	887	0:SP3_SP2_SP3	C	C[6a]	S	3:3:4:1:	3:3:4:	3:4:1:	C[6a]-3:S-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:O-1:	C(C[6a]C[6a]2)(SC[6a]O)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHS)	S(C[6a]C[6a]2)(CC[6a]CH)(O)	C(C[6a]C[6a]2)(SC[6a]O)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHS){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CC[6a]CH)(O)	106.6380	0.134	2	106.6380	0.018	2	108.7507	8.140	9	108.7507	8.140	9	110.7889	6.800	109	110.7889	6.800	109
490	643	887	0:SP3_SP2_SP3	C	C[6a]	S	3:3:4:1:	3:3:4:	3:4:1:	C[6a]-3:S-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:O-1:	C(C[6a]C[6a]2)(SC[6a]O)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHS)	S(C[6a]C[6a]2)(CC[6a]CH)(O)	C(C[6a]C[6a]2)(SC[6a]O)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHS){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CC[6a]CH)(O)	109.3654	3.243	5	109.3654	10.514	5	108.7507	8.140	9	108.7507	8.140	9	110.7889	6.800	109	110.7889	6.800	109
490	643	887	0:SP3_SP2_SP3	C	C[6a]	S	3:4:3:1:	3:3:4:	3:4:1:	C[6a]-3:C-4:S-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:O-1:	C(C[6a]C[6a]2)(CC[6a]2O)(SC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCHS)	S(C[6a]C[6a]2)(CC[6a]CH)(O)	C(C[6a]C[6a]2)(CC[6a]2O)(SC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCHS){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CC[6a]CH)(O)	113.1410	0.000	1	113.1410	0.000	1	112.5345	0.736	2	112.5345	0.736	2	110.7889	6.800	109	110.7889	6.800	109
490	643	887	0:SP3_SP2_SP3	C	C[6a]	S	3:4:3:1:	3:3:4:	3:4:1:	C[6a]-3:C-4:S-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:O-1:	C(C[6a]C[6a]2)(CC[6a]HO)(SC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCHS)	S(C[6a]C[6a]2)(CC[6a]CH)(O)	C(C[6a]C[6a]2)(CC[6a]HO)(SC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCHS){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CC[6a]CH)(O)	111.9280	0.000	1	111.9280	0.000	1	112.5345	0.736	2	112.5345	0.736	2	110.7889	6.800	109	110.7889	6.800	109
490	643	890	0:SP3_SP2_SP3	C	C[6a]	As	3:4:1:1:	3:3:4:	4:2:2:2:	C[6a]-3:As-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-2:O-2:	C(C[6a]C[6a]2)(AsO3)(H)2	C[6a](C[6a]C[6a]H)2(CAsHH)	As(CC[6a]HH)(OSn)3	C(C[6a]C[6a]2)(AsO3)(H)2	C[6a](C[6a]C[6a]H)2(CAsHH){1|C<3>,2|H<1>}	As(CC[6a]HH)(OSn)3	111.7500	2.178	4	111.7500	4.743	4	111.7500	4.743	4	111.7500	4.743	4	111.7500	4.743	4	111.7500	4.743	4
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:4:	3:3:4:	4:1:1:1:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)3(NH3)	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	N(CC[6a]3)(H)3	C(C[6a]C[6a]2)3(NH3)	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	N(CC[6a]3)(H)3	107.3571	1.125	224	107.3571	1.265	224	107.3571	1.265	224	107.3571	1.265	224	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:4:	3:3:4:	4:4:1:1:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)3(NC[5]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	N(C[5]C[5]2H)(CC[6a]3)(H)2	C(C[6a]C[6a]2)3(NC[5]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	N(C[5]C[5]2H)(CC[6a]3)(H)2	109.0030	2.033	3	109.0030	4.135	3	109.0030	4.135	3	109.0030	4.135	3	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:3:3:4:	4:3:3:	4:1:1:1:	C[6a]-3:C[6a]-3:C[6]-3:N-4:	C-4:C[6a]-3:C[6a]-3:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)2(C[6]C[6]2)(NH3)	C[6a](CC[6a]C[6]N)(C[6a]C[6a]H)2	N(CC[6a]2C[6])(H)3	C(C[6a]C[6a]2)2(C[6]C[6]2)(NH3)	C[6a](CC[6a]C[6]N)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	N(CC[6a]2C[6])(H)3	106.9635	0.989	2	106.9635	0.979	2	106.9635	0.979	2	106.9635	0.979	2	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:3:4:1:	3:3:4:	4:1:1:1:	C[6a]-3:C[6a]-3:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)2(NH3)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	N(CC[6a]2H)(H)3	C(C[6a]C[6a]2)2(NH3)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	N(CC[6a]2H)(H)3	111.2290	1.006	2	111.2290	1.011	2	111.2290	1.011	2	111.2290	1.011	2	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:3:4:1:	3:3:4:	4:4:1:1:	C[6a]-3:C[6a]-3:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)2(NCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HN)	N(CC[6a]2H)(CCHH)(H)2	C(C[6a]C[6a]2)2(NCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HN){1|C<3>,2|H<1>}	N(CC[6a]2H)(CCHH)(H)2	109.3250	0.000	1	109.3250	0.000	1	111.2274	0.962	8	111.2274	0.962	8	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:3:4:1:	3:3:4:	4:4:1:1:	C[6a]-3:C[6a]-3:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)2(NCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC[6a]HN)	N(CC[6a]2H)(CCHH)(H)2	C(C[6a]C[6a]2)2(NCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC[6a]HN){1|C<3>,2|H<1>}	N(CC[6a]2H)(CCHH)(H)2	111.2210	0.000	1	111.2210	0.000	1	111.2274	0.962	8	111.2274	0.962	8	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:3:4:1:	3:3:4:	4:4:1:1:	C[6a]-3:C[6a]-3:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)2(NCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	N(CC[6a]2H)(CCHH)(H)2	C(C[6a]C[6a]2)2(NCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	N(CC[6a]2H)(CCHH)(H)2	111.9165	0.350	4	111.9165	0.123	4	111.2274	0.962	8	111.2274	0.962	8	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:3:4:1:	3:3:4:	4:4:1:1:	C[6a]-3:C[6a]-3:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)2(NCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	N(CC[6a]2H)(CH3)(H)2	C(C[6a]C[6a]2)2(NCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	N(CC[6a]2H)(CH3)(H)2	110.8035	0.697	2	110.8035	0.485	2	111.2274	0.962	8	111.2274	0.962	8	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:3:4:1:	3:3:4:	4:4:4:1:	C[6a]-3:C[6a]-3:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a]2)2(NCCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HN)	N(CC[6a]2H)(CH3)2(H)	C(C[6a]C[6a]2)2(NCCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HN){1|C<3>,2|H<1>}	N(CC[6a]2H)(CH3)2(H)	110.8560	0.000	1	110.8560	0.000	1	111.8817	1.021	6	111.8817	1.021	6	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:3:4:1:	3:3:4:	4:4:4:1:	C[6a]-3:C[6a]-3:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a]2)2(NCCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	N(CC[6a]2H)(CCHH)2(H)	C(C[6a]C[6a]2)2(NCCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	N(CC[6a]2H)(CCHH)2(H)	112.1852	1.103	4	112.1852	1.216	4	111.8817	1.021	6	111.8817	1.021	6	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:3:4:1:	3:3:4:	4:4:4:1:	C[6a]-3:C[6a]-3:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a]2)2(NCCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	N(CC[6a]2H)(CH3)2(H)	C(C[6a]C[6a]2)2(NCCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	N(CC[6a]2H)(CH3)2(H)	111.6930	0.000	1	111.6930	0.000	1	111.8817	1.021	6	111.8817	1.021	6	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	2:3:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]N[6a])(NCHH)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]N[6a])(NCHH)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN){1|H<1>,2|C<3>}	N(CC[6a]HH)(CCHH)(H)2	112.5650	2.106	2	112.5650	4.434	2	112.5650	4.434	2	112.5650	4.434	2	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	2:3:4:	4:4:4:1:	C[6a]-3:N-4:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C[6]-4:C-4:C-4:H-1:	C(C[6a]C[6a]N[6a])(NC[6]CH)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN)	N(C[6]C[6]2H)(CC[6a]HH)(CH3)(H)	C(C[6a]C[6a]N[6a])(NC[6]CH)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN){1|H<1>,2|C<3>}	N(C[6]C[6]2H)(CC[6a]HH)(CH3)(H)	113.1590	0.000	1	113.1590	0.000	1	113.1590	0.000	1	113.1590	0.000	1	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:2:4:	4:1:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]N[6a])(NH3)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)(H)3	C(C[6a]C[6a]N[6a])(NH3)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(H)3	112.6047	0.936	10	112.6047	0.875	10	112.6047	0.875	10	112.6047	0.875	10	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:2:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]N[6a])(NCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)(CCCH)(H)2	C(C[6a]C[6a]N[6a])(NCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCCH)(H)2	113.8013	0.357	3	113.8013	0.127	3	111.5884	1.996	39	111.5638	1.992	42	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:2:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]N[6a])(NCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]N[6a])(NCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]HH)(CCHH)(H)2	111.1844	0.640	5	112.0238	1.387	16	111.5884	1.996	39	111.5638	1.992	42	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:2:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]N[6a])(NCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]N[6a])(NCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCHH)(H)2	112.6700	1.023	4	112.0238	1.387	16	111.5884	1.996	39	111.5638	1.992	42	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:2:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]N[6a])(NCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]N[6a])(NCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|Cl<1>,1|C<3>,1|C<4>}	N(CC[6a]HH)(CCHH)(H)2	111.2615	0.861	2	112.0238	1.387	16	111.5884	1.996	39	111.5638	1.992	42	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:2:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]N[6a])(NCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]N[6a])(NCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|H<1>,2|C<3>}	N(CC[6a]HH)(CCHH)(H)2	112.6510	1.319	5	112.0238	1.387	16	111.5884	1.996	39	111.5638	1.992	42	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:2:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]N[6a])(NCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)(CH3)(H)2	C(C[6a]C[6a]N[6a])(NCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]HH)(CH3)(H)2	110.7030	1.031	2	110.7030	1.063	2	111.5884	1.996	39	111.5638	1.992	42	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:2:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]N[6a])(NCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)2(H)2	C(C[6a]C[6a]N[6a])(NCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]HH)2(H)2	110.9683	1.505	12	110.9309	1.568	18	111.5884	1.996	39	111.5638	1.992	42	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:2:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]N[6a])(NCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)2(H)2	C(C[6a]C[6a]N[6a])(NCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)2(H)2	111.5215	0.018	2	110.9309	1.568	18	111.5884	1.996	39	111.5638	1.992	42	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:2:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]N[6a])(NCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)2(H)2	C(C[6a]C[6a]N[6a])(NCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|H<1>,2|C<3>}	N(CC[6a]HH)2(H)2	110.5235	0.349	4	110.9309	1.568	18	111.5884	1.996	39	111.5638	1.992	42	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:2:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[3x6]-4:C-4:H-1:H-1:	C(C[6a]C[6a]N[6a])(NC[3x6]HH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(C[3x6]C[6,6]3)(CC[6a]HH)(H)2	C(C[6a]C[6a]N[6a])(NC[3x6]HH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N(C[3x6]C[6,6]3)(CC[6a]HH)(H)2	112.9460	0.000	1	112.9460	0.000	1	112.9460	0.000	1	111.5638	1.992	42	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:2:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[5]-4:C-4:H-1:H-1:	C(C[6a]C[6a]N[6a])(NC[5]HH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(C[5]C[5]2H)(CC[6a]HH)(H)2	C(C[6a]C[6a]N[6a])(NC[5]HH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(C[5]C[5]2H)(CC[6a]HH)(H)2	110.3930	1.062	2	110.3930	1.128	2	110.3930	1.128	2	111.5638	1.992	42	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:2:4:	4:4:4:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:B-4:H-1:	C(C[6a]C[6a]N[6a])(NBCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)2(BH3)(H)	C(C[6a]C[6a]N[6a])(NBCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)2(BH3)(H)	111.3205	0.670	2	111.3205	0.448	2	111.3205	0.448	2	112.8855	3.215	19	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:2:4:	4:4:4:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a]N[6a])(NCCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)(CCHH)2(H)	C(C[6a]C[6a]N[6a])(NCCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCHH)2(H)	113.6917	1.228	3	113.3020	1.612	4	113.1279	4.025	13	112.8855	3.215	19	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:2:4:	4:4:4:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a]N[6a])(NCCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)(CCHH)2(H)	C(C[6a]C[6a]N[6a])(NCCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|H<1>,2|C<3>}	N(CC[6a]HH)(CCHH)2(H)	112.1330	0.000	1	113.3020	1.612	4	113.1279	4.025	13	112.8855	3.215	19	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:2:4:	4:4:4:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a]N[6a])(NCCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)2(CCHH)(H)	C(C[6a]C[6a]N[6a])(NCCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|H<1>,2|C<3>}	N(CC[6a]HH)2(CCHH)(H)	113.3750	1.949	2	113.3750	3.798	2	113.1279	4.025	13	112.8855	3.215	19	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:2:4:	4:4:4:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a]N[6a])(NCCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)3(H)	C(C[6a]C[6a]N[6a])(NCCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]HH)3(H)	113.4157	4.031	3	112.8478	7.742	6	113.1279	4.025	13	112.8855	3.215	19	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:2:4:	4:4:4:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a]N[6a])(NCCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)3(H)	C(C[6a]C[6a]N[6a])(NCCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|H<1>,2|C<3>}	N(CC[6a]HH)3(H)	112.2800	1.463	3	112.8478	7.742	6	113.1279	4.025	13	112.8855	3.215	19	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:2:4:	4:4:4:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a]N[6a])(NCCH)(H)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)(CH3)2(H)	C(C[6a]C[6a]N[6a])(NCCH)(H)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CH3)2(H)	113.6180	0.000	1	113.6180	0.000	1	113.1279	4.025	13	112.8855	3.215	19	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:2:4:	4:4:4:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6]-4:C-4:C-4:H-1:	C(C[6a]C[6a]N[6a])(NC[6]CH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(C[6]C[6]2H)(CC[6a]HH)2(H)	C(C[6a]C[6a]N[6a])(NC[6]CH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)2(H)	112.0005	0.559	2	112.0005	0.313	2	112.0005	0.313	2	112.8855	3.215	19	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:2:4:	4:4:4:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:O[6a]-2:C-4:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a]O[6a])(NCCH)(H)2	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(CHHN)	N(CC[6a]HH)(CCHH)(CH3)(H)	C(C[6a]C[6a]O[6a])(NCCH)(H)2	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(CHHN){1|C<3>,1|C<4>,1|O<1>}	N(CC[6a]HH)(CCHH)(CH3)(H)	113.9070	0.000	1	113.7595	0.044	2	113.7595	0.044	2	112.8855	3.215	19	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:2:4:	4:4:4:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:O[6a]-2:C-4:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a]O[6a])(NCCH)(H)2	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(CHHN)	N(CC[6a]HH)(CCHH)(CH3)(H)	C(C[6a]C[6a]O[6a])(NCCH)(H)2	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(CHHN){1|C<3>,1|H<1>,1|O<1>}	N(CC[6a]HH)(CCHH)(CH3)(H)	113.6120	0.000	1	113.7595	0.044	2	113.7595	0.044	2	112.8855	3.215	19	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:2:4:	4:4:4:4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]N[6a])(NC3)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)(CC[6]HH)(CCHH)(CH3)	C(C[6a]C[6a]N[6a])(NC3)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6]HH)(CCHH)(CH3)	114.8190	0.000	1	114.8190	0.000	1	114.8190	0.000	1	114.8190	0.000	1	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	3:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C(C[6a]C[6a,6a]C[6a])(NC[6a]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(H)2	C(C[6a]C[6a,6a]C[6a])(NC[6a]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)2	112.0135	0.337	2	112.0135	0.114	2	112.0135	0.114	2	111.8822	1.793	27	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	3:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NC[6a]HH)(H)2	C[6a](C[6a]C[6a]C)2(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(NC[6a]HH)(H)2	C[6a](C[6a]C[6a]C)2(CHHN){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)2	111.4302	1.241	13	111.4302	1.541	13	111.8717	1.936	25	111.8822	1.793	27	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	3:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NC[6a]HH)(H)2	C[6a](C[6a]C[6a]F)2(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(NC[6a]HH)(H)2	C[6a](C[6a]C[6a]F)2(CHHN){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)2	111.5140	0.974	4	111.5140	0.950	4	111.8717	1.936	25	111.8822	1.793	27	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	3:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(NC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)2	114.7350	0.000	1	114.7350	0.000	1	111.8717	1.936	25	111.8822	1.793	27	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	3:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(NC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)2	111.3970	0.816	2	111.3970	0.666	2	111.8717	1.936	25	111.8822	1.793	27	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	3:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(NC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)2	113.6003	0.091	3	112.9230	1.811	5	111.8717	1.936	25	111.8822	1.793	27	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	3:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(NC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)2	111.9070	1.946	2	112.9230	1.811	5	111.8717	1.936	25	111.8822	1.793	27	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	3:4:4:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]CH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)2(H)	C(C[6a]C[6a]2)(NC[6a]CH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)2(H)	112.2880	1.035	8	112.2880	1.072	8	112.3982	0.888	10	112.3982	0.888	10	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	3:4:4:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]CH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(CCCH)(H)	C(C[6a]C[6a]2)(NC[6a]CH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCCH)(H)	112.8390	0.000	2	112.8390	0.000	2	112.3982	0.888	10	112.3982	0.888	10	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:1:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(C[6a]C[6,6a]C[6a])(NH3)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(H)3	C(C[6a]C[6,6a]C[6a])(NH3)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CHHN){1|C<2>,2|C<3>,2|H<1>}	N(CC[6a]HH)(H)3	113.5710	0.000	1	113.5710	0.000	1	113.5710	0.000	1	112.3817	2.510	212	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:1:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a,6a]C[6a])(NH3)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(H)3	C(C[6a]C[6a,6a]C[6a])(NH3)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	N(CC[6a]HH)(H)3	114.3670	0.000	1	114.3670	0.000	1	114.1233	0.202	19	112.3817	2.510	212	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:1:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a,6a]C[6a])(NH3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(H)3	C(C[6a]C[6a,6a]C[6a])(NH3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	N(CC[6a]HH)(H)3	114.1098	0.458	18	114.1098	0.210	18	114.1233	0.202	19	112.3817	2.510	212	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:1:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(NH3)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(H)3	C(C[6a]C[6a]2)(NH3)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]HH)(H)3	112.4680	0.000	1	112.4680	0.000	1	112.2032	2.412	192	112.3817	2.510	212	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:1:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(NH3)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(H)3	C(C[6a]C[6a]2)(NH3)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(H)3	113.1230	0.000	1	113.1230	0.000	1	112.2032	2.412	192	112.3817	2.510	212	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:1:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(NH3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(H)3	C(C[6a]C[6a]2)(NH3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(H)3	112.5080	1.642	2	112.5080	2.696	2	112.2032	2.412	192	112.3817	2.510	212	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:1:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(NH3)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(H)3	C(C[6a]C[6a]2)(NH3)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(H)3	111.5570	0.000	1	111.5570	0.000	1	112.2032	2.412	192	112.3817	2.510	212	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:1:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(NH3)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(CHHN)	N(CC[6a]HH)(H)3	C(C[6a]C[6a]2)(NH3)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(CHHN){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]HH)(H)3	112.3785	1.621	2	112.3785	2.629	2	112.2032	2.412	192	112.3817	2.510	212	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:1:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(NH3)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(H)3	C(C[6a]C[6a]2)(NH3)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(H)3	111.2203	1.406	3	111.2203	1.976	3	112.2032	2.412	192	112.3817	2.510	212	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:1:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(NH3)(H)2	C[6a](C[6a]C[6a]F)2(CHHN)	N(CC[6a]HH)(H)3	C(C[6a]C[6a]2)(NH3)(H)2	C[6a](C[6a]C[6a]F)2(CHHN){1|C<3>,2|F<1>}	N(CC[6a]HH)(H)3	111.0880	0.000	1	111.0880	0.000	1	112.2032	2.412	192	112.3817	2.510	212	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:1:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(NH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)(H)3	C(C[6a]C[6a]2)(NH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(H)3	113.6883	0.317	3	113.6883	0.101	3	112.2032	2.412	192	112.3817	2.510	212	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:1:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(NH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN)	N(CC[6a]HH)(H)3	C(C[6a]C[6a]2)(NH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN){1|C<3>,1|H<1>}	N(CC[6a]HH)(H)3	111.5193	0.139	3	111.5193	0.019	3	112.2032	2.412	192	112.3817	2.510	212	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:1:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(NH3)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(H)3	C(C[6a]C[6a]2)(NH3)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|Br<1>,1|C<3>,1|H<1>}	N(CC[6a]HH)(H)3	112.4130	0.000	1	112.2041	2.514	175	112.2032	2.412	192	112.3817	2.510	212	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:1:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(NH3)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(H)3	C(C[6a]C[6a]2)(NH3)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]HH)(H)3	111.8757	1.655	24	112.2041	2.514	175	112.2032	2.412	192	112.3817	2.510	212	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:1:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(NH3)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(H)3	C(C[6a]C[6a]2)(NH3)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|F<1>,1|H<1>}	N(CC[6a]HH)(H)3	111.4625	0.842	2	112.2041	2.514	175	112.2032	2.412	192	112.3817	2.510	212	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:1:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(NH3)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(H)3	C(C[6a]C[6a]2)(NH3)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]HH)(H)3	113.9720	0.000	1	112.2041	2.514	175	112.2032	2.412	192	112.3817	2.510	212	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:1:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(NH3)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(H)3	C(C[6a]C[6a]2)(NH3)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(H)3	112.2166	1.592	134	112.2041	2.514	175	112.2032	2.412	192	112.3817	2.510	212	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:1:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(NH3)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(H)3	C(C[6a]C[6a]2)(NH3)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]HH)(H)3	113.5053	1.464	7	112.2041	2.514	175	112.2032	2.412	192	112.3817	2.510	212	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:1:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(NH3)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(H)3	C(C[6a]C[6a]2)(NH3)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|N<2>,2|H<1>}	N(CC[6a]HH)(H)3	111.6393	0.778	6	112.2041	2.514	175	112.2032	2.412	192	112.3817	2.510	212	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:2:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:H-2:H-1:H-1:	C(C[6a]C[6a,6a]C[6a])(NH3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(HH)(H)2	C(C[6a]C[6a,6a]C[6a])(NH3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	N(CC[6a]HH)(HH)(H)2	113.8120	0.000	1	113.8120	0.000	1	113.8120	0.000	1	111.3777	2.709	4	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:2:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:H-1:H-1:	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)(CC)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC)(H)2	110.4640	0.000	1	110.4640	0.000	1	110.4640	0.000	1	111.3777	2.709	4	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:2:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-2:H-1:H-1:	C(C[6a]C[6a]2)(NHHN)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(NC)(H)2	C(C[6a]C[6a]2)(NHHN)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(NC)(H)2	110.6175	0.457	2	110.6175	0.209	2	110.6175	0.209	2	111.3777	2.709	4	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:3:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:H-1:	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]F)2(CHHN)	N(CC[6a]HH)(CCH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]F)2(CHHN){1|C<3>,2|F<1>}	N(CC[6a]HH)(CCH)(H)2	113.2910	0.000	1	113.2910	0.000	1	113.2910	0.000	1	113.2910	0.000	1	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[5a,6a]C[6a])(NCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[5a,6a]C[6a])(NCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CHHN){1|H<1>,3|C<3>}	N(CC[6a]HH)(CCHH)(H)2	111.9450	0.946	2	111.9450	0.895	2	111.9450	0.895	2	112.0099	2.457	465	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a,6a]2)(NCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN)	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a,6a]2)(NCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN){2|H<1>,5|C<3>}	N(CC[6a]HH)(CCHH)(H)2	112.3087	1.124	11	112.3087	1.263	11	112.2608	1.604	14	112.0099	2.457	465	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a,6a]2)(NCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN)	N(CC[6a]HH)2(H)2	C(C[6a]C[6a,6a]2)(NCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN){2|H<1>,5|C<3>}	N(CC[6a]HH)2(H)2	112.0850	2.013	3	112.0850	4.053	3	112.2608	1.604	14	112.0099	2.457	465	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a,6a]C[6a])(NCHH)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a,6a]C[6a])(NCHH)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	N(CC[6a]HH)(CCHH)(H)2	111.0440	1.389	2	111.0440	1.929	2	111.4765	1.136	4	112.0099	2.457	465	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a,6a]C[6a])(NCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)(CCCH)(H)2	C(C[6a]C[6a,6a]C[6a])(NCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CHHN){1|H<1>,3|C<3>}	N(CC[6a]HH)(CCCH)(H)2	112.5140	0.000	1	112.5140	0.000	1	111.4765	1.136	4	112.0099	2.457	465	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a,6a]C[6a])(NCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a,6a]C[6a])(NCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CHHN){1|H<1>,3|C<3>}	N(CC[6a]HH)(CCHH)(H)2	111.3040	0.000	1	111.3040	0.000	1	111.4765	1.136	4	112.0099	2.457	465	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	B-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NBHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(BC[6a]2O)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(NBHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(BC[6a]2O)(CC[6a]HH)(H)2	111.3666	1.336	5	111.3666	1.786	5	111.3666	1.786	5	112.0099	2.457	465	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	B[6a]-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NB[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(B[6a]C[6a]O[6a]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(NB[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(B[6a]C[6a]O[6a]2)(CC[6a]HH)(H)2	110.5603	0.881	3	110.5603	0.777	3	110.5603	0.777	3	112.0099	2.457	465	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:B-4:H-1:H-1:	C(C[6a]C[6a]2)(NBHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(BC[6a]3)(H)2	C(C[6a]C[6a]2)(NBHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(BC[6a]3)(H)2	114.6660	0.000	1	114.6660	0.000	1	114.6660	0.000	1	112.0099	2.457	465	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CCCH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]HH)(CCCH)(H)2	113.7440	0.358	2	113.7440	0.128	2	112.0016	2.349	411	112.0099	2.457	465	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]HH)(CCHH)(H)2	111.6030	2.104	2	111.6030	4.428	2	112.0016	2.349	411	112.0099	2.457	465	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)2(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CHHN){1|Cl<1>,1|C<3>,1|N<2>}	N(CC[6a]HH)2(H)2	111.7340	0.000	1	111.7340	0.000	1	112.0016	2.349	411	112.0099	2.457	465	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CC[5]HH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[5]HH)(H)2	111.3480	1.121	2	111.3480	1.258	2	112.0016	2.349	411	112.0099	2.457	465	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCHH)(H)2	112.0920	1.566	5	112.0920	2.452	5	112.0016	2.349	411	112.0099	2.457	465	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]C)2(CHHN)	N(CC[6a]HH)(CC3)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]C)2(CHHN){1|C<3>,2|C<4>}	N(CC[6a]HH)(CC3)(H)2	109.0180	0.011	2	109.0180	0.000	2	112.0016	2.349	411	112.0099	2.457	465	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]C)2(CHHN)	N(CC[6a]HH)2(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]C)2(CHHN){1|C<3>,2|C<4>}	N(CC[6a]HH)2(H)2	111.5464	2.770	21	111.5464	7.672	21	112.0016	2.349	411	112.0099	2.457	465	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)2(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)2(H)2	112.5580	0.000	1	112.5580	0.000	1	112.0016	2.349	411	112.0099	2.457	465	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]F)2(CHHN)	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]F)2(CHHN){1|C<3>,2|F<1>}	N(CC[6a]HH)(CCHH)(H)2	112.3740	1.142	3	112.3740	1.305	3	112.0016	2.349	411	112.0099	2.457	465	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCHH)(H)2	111.7457	0.895	7	111.7457	0.801	7	112.0016	2.349	411	112.0099	2.457	465	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)(CCCH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCCH)(H)2	113.1880	0.000	1	113.1880	0.000	1	112.0016	2.349	411	112.0099	2.457	465	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|Br<1>,1|C<3>,1|H<1>}	N(CC[6a]HH)(CCHH)(H)2	111.0845	0.674	2	112.2244	3.071	31	112.0016	2.349	411	112.0099	2.457	465	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCHH)(H)2	112.3030	1.782	29	112.2244	3.071	31	112.0016	2.349	411	112.0099	2.457	465	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN)	N(CC[6a]HH)(CC3)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC3)(H)2	113.4980	0.000	1	113.4980	0.000	1	112.0016	2.349	411	112.0099	2.457	465	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHN)	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCHH)(H)2	111.1450	0.000	1	111.1450	0.000	1	112.0016	2.349	411	112.0099	2.457	465	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN)	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN){1|C<3>,1|H<1>}	N(CC[6a]HH)(CCHH)(H)2	110.8590	0.622	3	110.8590	0.387	3	112.0016	2.349	411	112.0099	2.457	465	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[5a]HH)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[5a]HH)(CC[6a]HH)(H)2	112.6320	0.000	1	112.3004	3.102	5	112.0016	2.349	411	112.0099	2.457	465	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[5a]HH)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|O<2>}	N(CC[5a]HH)(CC[6a]HH)(H)2	112.2175	2.022	4	112.3004	3.102	5	112.0016	2.349	411	112.0099	2.457	465	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]CH)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]HH)(H)2	110.5785	0.209	2	110.5785	0.044	2	112.0016	2.349	411	112.0099	2.457	465	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC3)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC3)(H)2	111.8607	1.580	4	111.8607	2.498	4	112.0016	2.349	411	112.0099	2.457	465	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCCH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCCH)(H)2	112.2977	1.345	20	112.3523	1.781	21	112.0016	2.349	411	112.0099	2.457	465	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCCH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|N<2>,2|H<1>}	N(CC[6a]HH)(CCCH)(H)2	113.4440	0.000	1	112.3523	1.781	21	112.0016	2.349	411	112.0099	2.457	465	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<2>,1|C<3>,1|H<1>}	N(CC[6a]HH)(CCHH)(H)2	108.8800	0.000	1	112.0404	2.245	169	112.0016	2.349	411	112.0099	2.457	465	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]HH)(CCHH)(H)2	112.8406	1.608	29	112.0404	2.245	169	112.0016	2.349	411	112.0099	2.457	465	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|H<1>,1|N<2>}	N(CC[6a]HH)(CCHH)(H)2	111.5878	1.521	5	112.0404	2.245	169	112.0016	2.349	411	112.0099	2.457	465	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]HH)(CCHH)(H)2	111.8374	1.108	32	112.0404	2.245	169	112.0016	2.349	411	112.0099	2.457	465	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|C<4>}	N(CC[6a]HH)(CCHH)(H)2	112.0176	1.521	8	112.0404	2.245	169	112.0016	2.349	411	112.0099	2.457	465	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCHH)(H)2	111.8975	1.499	90	112.0404	2.245	169	112.0016	2.349	411	112.0099	2.457	465	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|Ir<6>,1|C<3>,1|H<1>}	N(CC[6a]HH)(CCHH)(H)2	113.2870	2.155	2	112.0404	2.245	169	112.0016	2.349	411	112.0099	2.457	465	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|N<2>,2|H<1>}	N(CC[6a]HH)(CCHH)(H)2	111.6715	0.630	2	112.0404	2.245	169	112.0016	2.349	411	112.0099	2.457	465	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC[3]CH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[3]CH)(H)2	111.6255	0.663	2	111.6255	0.439	2	112.0016	2.349	411	112.0099	2.457	465	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC[5]CH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[5]CH)(H)2	113.5957	1.239	3	113.5957	1.536	3	112.0016	2.349	411	112.0099	2.457	465	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC[5]HH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]HH)(CC[5]HH)(H)2	112.7113	0.773	4	111.7956	0.739	35	112.0016	2.349	411	112.0099	2.457	465	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC[5]HH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[5]HH)(H)2	111.6774	0.808	31	111.7956	0.739	35	112.0016	2.349	411	112.0099	2.457	465	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC[6]HH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6]HH)(H)2	110.1912	1.513	4	110.1912	2.289	4	112.0016	2.349	411	112.0099	2.457	465	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC[6a]HP)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6a]HP)(H)2	113.0190	0.000	1	113.0190	0.000	1	112.0016	2.349	411	112.0099	2.457	465	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CH3)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|F<1>,1|H<1>}	N(CC[6a]HH)(CH3)(H)2	113.2780	0.748	2	112.3186	0.862	12	112.0016	2.349	411	112.0099	2.457	465	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CH3)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|H<1>,1|N<3>}	N(CC[6a]HH)(CH3)(H)2	112.3930	0.884	2	112.3186	0.862	12	112.0016	2.349	411	112.0099	2.457	465	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CH3)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CH3)(H)2	112.0601	0.907	8	112.3186	0.862	12	112.0016	2.349	411	112.0099	2.457	465	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CHHP)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CHHP)(H)2	109.6985	0.381	2	109.6985	0.145	2	112.0016	2.349	411	112.0099	2.457	465	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CP[6]HH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CP[6]HH)(H)2	111.0540	1.028	3	111.0540	1.056	3	112.0016	2.349	411	112.0099	2.457	465	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)2(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]HH)2(H)2	111.7868	0.542	6	112.2239	1.944	58	112.0016	2.349	411	112.0099	2.457	465	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)2(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|C<4>}	N(CC[6a]HH)2(H)2	113.9535	2.457	2	112.2239	1.944	58	112.0016	2.349	411	112.0099	2.457	465	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)2(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)2(H)2	112.2815	1.361	48	112.2239	1.944	58	112.0016	2.349	411	112.0099	2.457	465	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)2(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|O<2>}	N(CC[6a]HH)2(H)2	110.4235	1.573	2	112.2239	1.944	58	112.0016	2.349	411	112.0099	2.457	465	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CHHN){1|C<4>,1|H<1>,3|C<3>}	N(CC[6a]HH)(CCHH)(H)2	113.0135	0.637	2	113.0135	0.406	2	112.0016	2.349	411	112.0099	2.457	465	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]O)2(CHHN)	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]O)2(CHHN){1|C<3>,2|C<4>}	N(CC[6a]HH)(CCHH)(H)2	110.6707	1.236	4	110.6707	1.527	4	112.0016	2.349	411	112.0099	2.457	465	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCHH)(H)2	112.2120	0.000	1	112.2120	0.000	1	112.0016	2.349	411	112.0099	2.457	465	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[3x6]-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NC[3x6]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(C[3x6]C[6,6]3)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(NC[3x6]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	N(C[3x6]C[6,6]3)(CC[6a]HH)(H)2	112.5728	0.772	6	112.5728	0.595	6	112.5728	0.595	6	112.0099	2.457	465	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NC[5,6]HH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[5,6]C[5,5,6]C[5,6]C)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(NC[5,6]HH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[5,6]C[5,5,6]C[5,6]C)(CC[6a]HH)(H)2	116.5900	0.000	1	116.5900	0.000	1	113.3507	26.923	3	112.0099	2.457	465	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NC[5,6]HH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(NC[5,6]HH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]HH)(H)2	111.7310	6.173	2	111.7310	38.106	2	113.3507	26.923	3	112.0099	2.457	465	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NC[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[5]C[5]2H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(NC[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[5]C[5]2H)(CC[6a]HH)(H)2	111.9510	0.024	2	111.9510	0.001	2	111.9510	0.001	2	112.0099	2.457	465	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NC[6]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(C[6]C[6]2H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(NC[6]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)(H)2	110.5765	0.975	2	110.5765	0.951	2	111.9960	4.714	14	112.0099	2.457	465	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NC[6]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN)	N(C[6]C[6]2H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(NC[6]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN){1|C<3>,1|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)(H)2	112.0570	0.000	1	112.0570	0.000	1	111.9960	4.714	14	112.0099	2.457	465	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NC[6]HH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6]C[6]2C)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(NC[6]HH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6]C[6]2C)(CC[6a]HH)(H)2	116.0495	0.655	2	116.0495	0.430	2	111.9960	4.714	14	112.0099	2.457	465	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NC[6]HH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6]C[6]2H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(NC[6]HH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)(H)2	110.3593	1.699	4	110.9508	3.915	5	111.9960	4.714	14	112.0099	2.457	465	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NC[6]HH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6]C[6]2H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(NC[6]HH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|N<2>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)(H)2	113.3170	0.000	1	110.9508	3.915	5	111.9960	4.714	14	112.0099	2.457	465	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NC[6]HH)(H)2	C[6a](C[6a]C[6a]O)2(CHHN)	N(C[6]C[6]2H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(NC[6]HH)(H)2	C[6a](C[6a]C[6a]O)2(CHHN){1|C<3>,2|C<4>}	N(C[6]C[6]2H)(CC[6a]HH)(H)2	111.9702	0.791	4	111.9702	0.626	4	111.9960	4.714	14	112.0099	2.457	465	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:H-1:	C(C[6a]C[5,6a]C[6a])(NCCH)(H)2	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(CHHN)	N(CC[6a]HH)(CCCH)(CCHH)(H)	C(C[6a]C[5,6a]C[6a])(NCCH)(H)2	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(CHHN){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N(CC[6a]HH)(CCCH)(CCHH)(H)	114.8380	0.000	1	114.8380	0.000	1	114.8380	0.000	1	113.2779	1.963	192	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:H-1:	C(C[6a]C[5a,6a]C[6a])(NCCH)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)(CH3)2(H)	C(C[6a]C[5a,6a]C[6a])(NCCH)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(CHHN){1|Br<1>,1|N<3>,3|C<3>}	N(CC[6a]HH)(CH3)2(H)	111.1833	0.673	3	111.1833	0.454	3	111.1833	0.454	3	113.2779	1.963	192	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N-4:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a,6a]2)(NCCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN)	N(CC[6a]HH)(CCHH)2(H)	C(C[6a]C[6a,6a]2)(NCCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN){2|H<1>,5|C<3>}	N(CC[6a]HH)(CCHH)2(H)	112.2590	0.276	3	112.2590	0.076	3	113.8891	1.024	14	113.2779	1.963	192	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N-4:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a,6a]2)(NCCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN)	N(CC[6a]HH)(CH3)2(H)	C(C[6a]C[6a,6a]2)(NCCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN){2|H<1>,5|C<3>}	N(CC[6a]HH)(CH3)2(H)	114.1503	0.473	7	114.1503	0.224	7	113.8891	1.024	14	113.2779	1.963	192	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N-4:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a,6a]2)(NCCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN)	N(CC[6a]HH)2(CCHH)(H)	C(C[6a]C[6a,6a]2)(NCCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN){2|H<1>,5|C<3>}	N(CC[6a]HH)2(CCHH)(H)	114.7553	0.669	3	114.7553	0.447	3	113.8891	1.024	14	113.2779	1.963	192	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N-4:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a,6a]2)(NCCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN)	N(CC[6a]HH)2(CH3)(H)	C(C[6a]C[6a,6a]2)(NCCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN){2|H<1>,5|C<3>}	N(CC[6a]HH)2(CH3)(H)	114.3530	0.000	1	114.3530	0.000	1	113.8891	1.024	14	113.2779	1.963	192	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a,6a]C[6a])(NCCH)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CH3)2(H)	C(C[6a]C[6a,6a]C[6a])(NCCH)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CHHN){1|H<1>,3|C<3>}	N(CC[6a]HH)(CH3)2(H)	111.7215	0.469	2	111.7215	0.220	2	111.7215	0.220	2	113.2779	1.963	192	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:B-4:H-1:	C(C[6a]C[6a]2)(NBCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)2(BC[6a]3)(H)	C(C[6a]C[6a]2)(NBCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)2(BC[6a]3)(H)	115.2105	0.370	2	115.2105	0.137	2	115.2105	0.137	2	113.2779	1.963	192	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)2(CH3)(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>,3|O<2>}	N(CC[6a]HH)2(CH3)(H)	110.1340	0.000	1	110.1340	0.000	1	113.2293	1.824	158	113.2779	1.963	192	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CCHH)2(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CHHN){1|Cl<1>,1|C<3>,1|N<3>}	N(CC[6a]HH)(CCHH)2(H)	111.8125	0.718	2	111.8125	0.515	2	113.2293	1.824	158	113.2779	1.963	192	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CCHH)2(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]HH)(CCHH)2(H)	114.0120	0.000	1	114.0120	0.000	1	113.2293	1.824	158	113.2779	1.963	192	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CH3)2(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CH3)2(H)	112.5490	0.000	1	112.5490	0.000	1	113.2293	1.824	158	113.2779	1.963	192	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CH3)2(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CH3)2(H)	112.4820	0.000	1	112.4820	0.000	1	113.2293	1.824	158	113.2779	1.963	192	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]C)2(CHHN)	N(CC[6a]HH)(CCHH)2(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]C)2(CHHN){1|C<3>,2|C<4>}	N(CC[6a]HH)(CCHH)2(H)	113.1940	0.000	1	113.1940	0.000	1	113.2293	1.824	158	113.2779	1.963	192	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]C)2(CHHN)	N(CC[6a]HH)(CH3)2(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]C)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]HH)(CH3)2(H)	113.1390	0.000	1	113.1390	0.000	1	113.2293	1.824	158	113.2779	1.963	192	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]Cl)2(CHHN)	N(CC[6a]HH)(CH3)2(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]Cl)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CH3)2(H)	113.1570	0.000	1	113.1570	0.000	1	113.2293	1.824	158	113.2779	1.963	192	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CH3)2(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHHN){1|C<3>,1|F<1>,1|H<1>}	N(CC[6a]HH)(CH3)2(H)	113.6310	0.000	1	113.6310	0.000	1	113.2293	1.824	158	113.2779	1.963	192	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]F)2(CHHN)	N(CC[6a]HH)2(CCHH)(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]F)2(CHHN){1|C<3>,2|F<1>}	N(CC[6a]HH)2(CCHH)(H)	113.2640	2.193	4	113.2640	4.808	4	113.2293	1.824	158	113.2779	1.963	192	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(CC[6a]HH)(CCHH)2(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCHH)2(H)	114.4880	0.000	1	114.4880	0.000	1	113.2293	1.824	158	113.2779	1.963	192	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(CC[6a]HH)3(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)3(H)	112.7412	0.913	9	112.7412	0.833	9	113.2293	1.824	158	113.2779	1.963	192	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)(CCHH)(CH3)(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|Br<1>,2|C<3>}	N(CC[6a]HH)(CCHH)(CH3)(H)	110.5640	0.000	1	110.5640	0.000	1	113.2293	1.824	158	113.2779	1.963	192	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)(CCHH)2(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|H<1>,1|N<3>}	N(CC[6a]HH)(CCHH)2(H)	113.2485	0.803	2	112.1439	3.559	8	113.2293	1.824	158	113.2779	1.963	192	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)(CCHH)2(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|C<4>}	N(CC[6a]HH)(CCHH)2(H)	111.9928	2.575	4	112.1439	3.559	8	113.2293	1.824	158	113.2779	1.963	192	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)(CCHH)2(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCHH)2(H)	111.8660	0.000	1	112.1439	3.559	8	113.2293	1.824	158	113.2779	1.963	192	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)(CCHH)2(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<4>,2|C<3>}	N(CC[6a]HH)(CCHH)2(H)	110.8170	0.000	1	112.1439	3.559	8	113.2293	1.824	158	113.2779	1.963	192	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)(CC[6]HH)(CCHH)(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|C<4>}	N(CC[6a]HH)(CC[6]HH)(CCHH)(H)	113.4540	0.000	1	113.4540	0.000	1	113.2293	1.824	158	113.2779	1.963	192	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)(CH3)2(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|C<4>}	N(CC[6a]HH)(CH3)2(H)	113.8620	0.000	1	113.8620	0.000	1	113.2293	1.824	158	113.2779	1.963	192	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)2(CCHH)(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|C<4>}	N(CC[6a]HH)2(CCHH)(H)	111.8585	0.584	4	111.9316	3.282	8	113.2293	1.824	158	113.2779	1.963	192	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)2(CCHH)(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)2(CCHH)(H)	113.0913	1.968	3	111.9316	3.282	8	113.2293	1.824	158	113.2779	1.963	192	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)2(CCHH)(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<4>,2|C<3>}	N(CC[6a]HH)2(CCHH)(H)	108.7450	0.000	1	111.9316	3.282	8	113.2293	1.824	158	113.2779	1.963	192	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)3(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|C<4>}	N(CC[6a]HH)3(H)	112.0807	1.188	12	112.0807	1.412	12	113.2293	1.824	158	113.2779	1.963	192	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN)	N(CC[6a]HH)(CH3)2(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CH3)2(H)	112.9230	0.000	1	112.9230	0.000	1	113.2293	1.824	158	113.2779	1.963	192	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]CH)(CC[6a]HH)(CC[3]HH)(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]HH)(CC[3]HH)(H)	113.0610	0.000	1	113.0610	0.000	1	113.2293	1.824	158	113.2779	1.963	192	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCCH)2(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCCH)2(H)	111.8270	0.000	1	111.8270	0.000	1	113.2293	1.824	158	113.2779	1.963	192	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCHH)(CH3)(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCHH)(CH3)(H)	114.1600	0.000	1	114.1600	0.000	1	113.2293	1.824	158	113.2779	1.963	192	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCHH)(CHHP)(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCHH)(CHHP)(H)	114.1910	0.000	1	114.1910	0.000	1	113.2293	1.824	158	113.2779	1.963	192	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCHH)2(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]HH)(CCHH)2(H)	112.9250	0.276	2	113.6336	0.740	13	113.2293	1.824	158	113.2779	1.963	192	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCHH)2(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCHH)2(H)	113.7625	0.873	11	113.6336	0.740	13	113.2293	1.824	158	113.2779	1.963	192	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CH3)2(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CH3)2(H)	113.3565	0.840	6	113.3565	0.705	6	113.2293	1.824	158	113.2779	1.963	192	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CHHP)2(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CHHP)2(H)	113.1830	0.000	1	113.1830	0.000	1	113.2293	1.824	158	113.2779	1.963	192	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)2(CCCH)(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)2(CCCH)(H)	114.3572	0.690	6	114.3572	0.476	6	113.2293	1.824	158	113.2779	1.963	192	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)2(CCHH)(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)2(CCHH)(H)	113.7321	0.995	31	113.7321	0.990	31	113.2293	1.824	158	113.2779	1.963	192	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)2(CCHP)(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)2(CCHP)(H)	113.6535	1.070	2	113.6535	1.145	2	113.2293	1.824	158	113.2779	1.963	192	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)2(CHHP)(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)2(CHHP)(H)	113.5220	1.438	6	113.5220	2.068	6	113.2293	1.824	158	113.2779	1.963	192	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)3(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)3(H)	113.7883	1.344	27	113.7883	1.805	27	113.2293	1.824	158	113.2779	1.963	192	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CH3)2(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CH3)2(H)	113.6620	0.000	1	113.6620	0.000	1	113.2293	1.824	158	113.2779	1.963	192	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CH3)2(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]HH)(CH3)2(H)	112.7020	0.506	4	112.7398	0.199	5	113.2293	1.824	158	113.2779	1.963	192	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CH3)2(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CH3)2(H)	112.8910	0.000	1	112.7398	0.199	5	113.2293	1.824	158	113.2779	1.963	192	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C-4:C-4:H-1:	C(C[6a]C[6a]2)(NC[5]CH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[5]C[5]2H)(CC[6a]HH)(CH3)(H)	C(C[6a]C[6a]2)(NC[5]CH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[5]C[5]2H)(CC[6a]HH)(CH3)(H)	112.0680	0.689	2	112.0680	0.474	2	113.5105	3.149	6	113.2779	1.963	192	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C-4:C-4:H-1:	C(C[6a]C[6a]2)(NC[5]CH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[5]C[5]2H)(CC[6a]HH)2(H)	C(C[6a]C[6a]2)(NC[5]CH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[5]C[5]2H)(CC[6a]HH)2(H)	114.2318	1.735	4	114.2318	3.010	4	113.5105	3.149	6	113.2779	1.963	192	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:C-4:H-1:	C(C[6a]C[6a]2)(NC[6]CH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(C[6]C[6]2H)(CC[6a]HH)(CH3)(H)	C(C[6a]C[6a]2)(NC[6]CH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){2|Br<1>,1|C<3>}	N(C[6]C[6]2H)(CC[6a]HH)(CH3)(H)	114.7960	0.000	1	114.7960	0.000	1	113.5608	4.768	6	113.2779	1.963	192	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:C-4:H-1:	C(C[6a]C[6a]2)(NC[6]CH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6]C[6]2H)(CC[6a]HH)(CCHH)(H)	C(C[6a]C[6a]2)(NC[6]CH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)(CCHH)(H)	110.7060	0.000	1	110.7060	0.000	1	113.5608	4.768	6	113.2779	1.963	192	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:C-4:H-1:	C(C[6a]C[6a]2)(NC[6]CH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6]C[6]2H)(CC[6a]HH)2(H)	C(C[6a]C[6a]2)(NC[6]CH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)2(H)	113.9657	2.122	4	113.9657	4.503	4	113.5608	4.768	6	113.2779	1.963	192	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:2:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:O-2:	C(C[6a]C[6a]2)(NCCO)(H)2	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CH3)2(OSn)	C(C[6a]C[6a]2)(NCCO)(H)2	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CH3)2(OSn)	115.3440	0.000	1	115.3440	0.000	1	115.3440	0.000	1	115.3440	0.000	1	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:3:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-3:	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CH3)2(COO)	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CH3)2(COO)	114.5260	0.000	1	114.5260	0.000	1	114.5260	0.000	1	114.5260	0.000	1	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:4:	C[6a]-3:N-4:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a,6a]2)(NC3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN)	N(CC[6a]HH)(CH3)3	C(C[6a]C[6a,6a]2)(NC3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN){2|H<1>,5|C<3>}	N(CC[6a]HH)(CH3)3	115.4935	1.097	2	115.4935	1.203	2	115.4935	1.203	2	115.0481	1.950	170	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:4:	C[6a]-3:N-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a,6a]C[6a])(NC3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CH3)3	C(C[6a]C[6a,6a]C[6a])(NC3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN){1|B<4>,1|H<1>,3|C<3>}	N(CC[6a]HH)(CH3)3	111.4540	2.698	2	111.4540	7.281	2	111.4540	7.281	2	115.0481	1.950	170	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:B-4:C-4:C-4:	C(C[6a]C[6a]2)(NBCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(BC[6a]3)(CH3)2	C(C[6a]C[6a]2)(NBCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(BC[6a]3)(CH3)2	117.6790	0.000	1	117.6790	0.000	1	117.6790	0.000	1	115.0481	1.950	170	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]2)(CHHN)	N(CC[6a]HH)(CH3)3	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]2)(CHHN){1|H<1>,6|C<3>}	N(CC[6a]HH)(CH3)3	115.3830	0.000	1	115.3830	0.000	1	115.0703	1.755	165	115.0481	1.950	170	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CHHN)	N(CC[6a]HH)4	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CHHN){1|H<1>,6|C<3>}	N(CC[6a]HH)4	113.8585	0.508	2	113.8585	0.258	2	115.0703	1.755	165	115.0481	1.950	170	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)2(CCCH)(CH3)	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN){1|H<1>,4|C<3>}	N(CC[6a]HH)2(CCCH)(CH3)	113.1070	1.392	2	113.1070	1.937	2	115.0703	1.755	165	115.0481	1.950	170	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)4	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN){1|H<1>,4|C<3>}	N(CC[6a]HH)4	111.8895	1.449	4	111.8895	2.099	4	115.0703	1.755	165	115.0481	1.950	170	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHN)	N(CC[6a]CH)2(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	N(CC[6a]CH)2(CC[6a]HH)(CH3)	115.4130	0.000	1	115.4130	0.000	1	115.0703	1.755	165	115.0481	1.950	170	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a]Au)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CH3)3	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a]Au)(C[6a]C[6a]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]HH)(CH3)3	116.3645	0.827	2	116.3645	0.683	2	115.0703	1.755	165	115.0481	1.950	170	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)2(CH3)2	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)2(CH3)2	114.8170	0.168	2	114.8170	0.028	2	115.0703	1.755	165	115.0481	1.950	170	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)2(CH3)2	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)2(CH3)2	114.5520	0.263	2	114.5520	0.069	2	115.0703	1.755	165	115.0481	1.950	170	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a]F)2(CHHN)	N(CC[6a]HH)(CCHH)(CH3)2	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a]F)2(CHHN){1|C<3>,2|F<1>}	N(CC[6a]HH)(CCHH)(CH3)2	114.5040	0.526	3	114.5040	0.277	3	115.0703	1.755	165	115.0481	1.950	170	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a]F)2(CHHN)	N(CC[6a]HH)2(CH3)2	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a]F)2(CHHN){1|C<3>,2|F<1>}	N(CC[6a]HH)2(CH3)2	114.8533	0.625	4	114.8533	0.390	4	115.0703	1.755	165	115.0481	1.950	170	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(CC[6a]HH)3(CH3)	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)3(CH3)	115.8195	0.013	2	115.8195	0.000	2	115.0703	1.755	165	115.0481	1.950	170	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)(CCHH)2(CH3)	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|H<1>,1|N<3>}	N(CC[6a]HH)(CCHH)2(CH3)	115.8870	0.321	2	115.8870	0.103	2	115.0703	1.755	165	115.0481	1.950	170	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN)	N(CC[6a]HH)(CH3)3	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CH3)3	113.7540	0.000	1	113.7540	0.000	1	115.0703	1.755	165	115.0481	1.950	170	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCHH)(CH3)2	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCHH)(CH3)2	114.5998	1.516	19	114.6169	2.184	20	115.0703	1.755	165	115.0481	1.950	170	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCHH)(CH3)2	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|O<2>}	N(CC[6a]HH)(CCHH)(CH3)2	114.9410	0.000	1	114.6169	2.184	20	115.0703	1.755	165	115.0481	1.950	170	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCHH)3	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|H<1>,1|N<3>}	N(CC[6a]HH)(CCHH)3	115.4300	0.000	1	115.9978	0.975	39	115.0703	1.755	165	115.0481	1.950	170	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCHH)3	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCHH)3	116.0037	1.019	36	115.9978	0.975	39	115.0703	1.755	165	115.0481	1.950	170	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCHH)3	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|H<1>,2|C<3>}	N(CC[6a]HH)(CCHH)3	116.1765	0.573	2	115.9978	0.975	39	115.0703	1.755	165	115.0481	1.950	170	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CH3)3	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|H<1>,1|N<2>}	N(CC[6a]HH)(CH3)3	114.5980	0.000	1	114.8567	1.368	52	115.0703	1.755	165	115.0481	1.950	170	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CH3)3	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CH3)3	114.8702	1.203	49	114.8567	1.368	52	115.0703	1.755	165	115.0481	1.950	170	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CH3)3	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|H<1>,2|C<3>}	N(CC[6a]HH)(CH3)3	114.6560	0.287	2	114.8567	1.368	52	115.0703	1.755	165	115.0481	1.950	170	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)2(CCHH)2	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)2(CCHH)2	115.6638	1.260	6	115.6638	1.589	6	115.0703	1.755	165	115.0481	1.950	170	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)2(CH3)2	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]HH)2(CH3)2	115.2745	0.282	6	114.9983	0.927	20	115.0703	1.755	165	115.0481	1.950	170	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:4:4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)2(CH3)2	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)2(CH3)2	114.8799	1.129	14	114.9983	0.927	20	115.0703	1.755	165	115.0481	1.950	170	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:4:5:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:B-5:H-1:	C(C[6a]C[6a]2)(NBCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)2(BCaH3)(H)	C(C[6a]C[6a]2)(NBCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)2(BCaH3)(H)	111.8945	2.285	2	111.8945	5.220	2	111.8945	5.220	2	111.8945	5.220	2	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:1:1:	3:3:4:	4:6:1:1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:In-6:H-1:H-1:	C(C[6a]C[6a]2)(NInHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(InNNO3)(H)2	C(C[6a]C[6a]2)(NInHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(InNNO3)(H)2	113.5305	0.723	2	113.5305	0.523	2	113.5305	0.523	2	113.5305	0.523	2	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:1:1:1:	C[6a]-3:N-4:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a,6a]C[6a])(NH3)(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(H)3	C(C[6a]C[6a,6a]C[6a])(NH3)(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN){2|H<1>,3|C<3>}	N(CC[6a]CH)(H)3	110.8510	0.000	1	110.8510	0.000	1	110.8510	0.000	1	111.6170	1.051	19	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:1:1:1:	C[6a]-3:N-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(NH3)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(NH3)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(H)3	109.6445	0.784	2	109.6445	0.615	2	111.6596	1.076	18	111.6170	1.051	19	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:1:1:1:	C[6a]-3:N-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(NH3)(COO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(NH3)(COO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(H)3	112.4790	0.000	1	112.4790	0.000	1	111.6596	1.076	18	111.6170	1.051	19	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:1:1:1:	C[6a]-3:N-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(NH3)(COO)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(NH3)(COO)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(H)3	112.0840	0.000	1	112.0840	0.000	1	111.6596	1.076	18	111.6170	1.051	19	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:1:1:1:	C[6a]-3:N-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(NH3)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(NH3)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(H)3	111.8586	0.792	14	111.8586	0.627	14	111.6596	1.076	18	111.6170	1.051	19	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:3:1:1:	C[6a]-3:N-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:H-1:	C(C[6a]C[6a]2)(NCHH)(COO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(CC[6a]H)(H)2	C(C[6a]C[6a]2)(NCHH)(COO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHN){1|C<4>,1|H<1>,3|C<3>}	N(CC[6a]CH)(CC[6a]H)(H)2	111.8710	0.000	1	111.8710	0.000	1	111.8710	0.000	1	111.8710	0.000	1	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[5,6a]C[6a])(NCHH)(CCH)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[5,6a]C[6a])(NCHH)(CCH)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHN){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	N(CC[6a]CH)(CCHH)(H)2	108.5750	0.000	1	108.5750	0.000	1	108.5750	0.000	1	111.1753	2.147	6	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:C-3:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[5a,6a]C[6a])(NCHH)(CCH)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(CCCH)(H)2	C(C[6a]C[5a,6a]C[6a])(NCHH)(CCH)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCHN){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N(CC[6a]CH)(CCCH)(H)2	111.5910	0.000	1	111.5910	0.000	1	111.5910	0.000	1	111.1753	2.147	6	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NCHH)(CCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(NCHH)(CCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHN){1|H<1>,2|C<3>}	N(CC[6a]CH)(CH3)(H)2	111.4260	0.000	1	111.4260	0.000	1	111.7215	0.869	4	111.1753	2.147	6	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NCHH)(CCO)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(NCHH)(CCO)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CH3)(H)2	112.7750	0.000	1	112.7750	0.000	1	111.7215	0.869	4	111.1753	2.147	6	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NCHH)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CCCP)(H)2	C(C[6a]C[6a]2)(NCHH)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CCCP)(H)2	112.0920	0.000	1	112.0920	0.000	1	111.7215	0.869	4	111.1753	2.147	6	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NCHH)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)2(H)2	C(C[6a]C[6a]2)(NCHH)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)2(H)2	110.5930	0.000	1	110.5930	0.000	1	111.7215	0.869	4	111.1753	2.147	6	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:4:1:	3:2:4:	4:1:1:1:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]N[6a])(CCCH)(NH3)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN)	N(CC[6a]CH)(H)3	C(C[6a]C[6a]N[6a])(CCCH)(NH3)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(H)3	107.2975	0.985	2	107.2975	0.970	2	107.2975	0.970	2	107.2975	0.970	2	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:4:1:	3:3:4:	3:4:1:1:	C[6a]-3:N-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NC[6a]HH)(CCCO)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(NC[6a]HH)(CCCO)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)2	114.3120	0.000	1	114.3120	0.000	1	114.3120	0.000	1	113.1565	2.670	2	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:4:1:	3:3:4:	3:4:1:1:	C[6a]-3:N-4:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NC[6a]HH)(PO3)(H)	C[6a](C[6a]C[6a]H)2(CHNP)	N(C[6a]C[6a]2)(CC[6a]HP)(H)2	C(C[6a]C[6a]2)(NC[6a]HH)(PO3)(H)	C[6a](C[6a]C[6a]H)2(CHNP){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HP)(H)2	112.0010	0.000	1	112.0010	0.000	1	112.0010	0.000	1	113.1565	2.670	2	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:4:1:	3:3:4:	4:1:1:1:	C[6a]-3:C-4:N-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a,6a]C[6a])(CC[6a]HN)(NH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(H)3	C(C[6a]C[6a,6a]C[6a])(CC[6a]HN)(NH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN){2|H<1>,3|C<3>}	N(CC[6a]CH)(H)3	107.8150	1.126	3	107.8150	1.268	3	110.5178	3.432	12	110.4255	1.588	360	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:4:1:	3:3:4:	4:1:1:1:	C[6a]-3:C-4:N-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a,6a]C[6a])(CH3)(NH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(H)3	C(C[6a]C[6a,6a]C[6a])(CH3)(NH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN){2|H<1>,3|C<3>}	N(CC[6a]CH)(H)3	111.4188	0.866	9	111.4188	0.750	9	110.5178	3.432	12	110.4255	1.588	360	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:4:1:	3:3:4:	4:1:1:1:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CCCH)(NH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CCCH)(NH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(H)3	110.8570	0.000	1	110.8570	0.000	1	110.4223	1.534	348	110.4255	1.588	360	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:4:1:	3:3:4:	4:1:1:1:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(NH3)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CCHH)(NH3)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]CH)(H)3	108.8590	0.000	1	108.8590	0.000	1	110.4223	1.534	348	110.4255	1.588	360	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:4:1:	3:3:4:	4:1:1:1:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(NH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CCHH)(NH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,1|H<1>,1|N<3>}	N(CC[6a]CH)(H)3	111.4895	0.671	2	110.5657	0.704	7	110.4223	1.534	348	110.4255	1.588	360	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:4:1:	3:3:4:	4:1:1:1:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(NH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CCHH)(NH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(H)3	110.0452	0.557	4	110.5657	0.704	7	110.4223	1.534	348	110.4255	1.588	360	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:4:1:	3:3:4:	4:1:1:1:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(NH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CCHH)(NH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|N<2>,2|H<1>}	N(CC[6a]CH)(H)3	110.8000	0.000	1	110.5657	0.704	7	110.4223	1.534	348	110.4255	1.588	360	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:4:1:	3:3:4:	4:1:1:1:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(NH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CC[6a]CH)(NH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(H)3	109.5832	0.500	4	109.5832	0.250	4	110.4223	1.534	348	110.4255	1.588	360	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:4:1:	3:3:4:	4:1:1:1:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]HN)(NH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	N(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CC[6a]HN)(NH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(H)3	112.8000	0.000	1	112.8000	0.000	1	110.4223	1.534	348	110.4255	1.588	360	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:4:1:	3:3:4:	4:1:1:1:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]HN)(NH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CC[6a]HN)(NH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(H)3	110.6947	0.974	29	110.6947	0.949	29	110.4223	1.534	348	110.4255	1.588	360	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:4:1:	3:3:4:	4:1:1:1:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]HO)(NH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CC[6a]HO)(NH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(H)3	110.4440	0.823	53	110.4440	0.677	53	110.4223	1.534	348	110.4255	1.588	360	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:4:1:	3:3:4:	4:1:1:1:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CH3)(NH3)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CH3)(NH3)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHN){1|H<1>,2|C<3>}	N(CC[6a]CH)(H)3	109.2933	0.492	7	109.2933	0.242	7	110.4223	1.534	348	110.4255	1.588	360	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:4:1:	3:3:4:	4:1:1:1:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CH3)(NH3)(H)	C[6a](C[6a]C[6a]F)2(CCHN)	N(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CH3)(NH3)(H)	C[6a](C[6a]C[6a]F)2(CCHN){1|C<3>,2|F<1>}	N(CC[6a]CH)(H)3	106.5465	2.300	2	106.5465	5.291	2	110.4223	1.534	348	110.4255	1.588	360	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:4:1:	3:3:4:	4:1:1:1:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CH3)(NH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	N(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CH3)(NH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|C<3>,2|C<4>}	N(CC[6a]CH)(H)3	107.8710	0.000	1	108.9727	0.956	3	110.4223	1.534	348	110.4255	1.588	360	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:4:1:	3:3:4:	4:1:1:1:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CH3)(NH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	N(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CH3)(NH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(H)3	109.5235	0.303	2	108.9727	0.956	3	110.4223	1.534	348	110.4255	1.588	360	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:4:1:	3:3:4:	4:1:1:1:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CH3)(NH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CH3)(NH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(H)3	110.4734	1.293	239	110.4734	1.671	239	110.4223	1.534	348	110.4255	1.588	360	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:4:1:	3:3:4:	4:1:1:1:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CHHO)(NH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CHHO)(NH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(H)3	110.2670	0.000	1	110.2670	0.000	1	110.4223	1.534	348	110.4255	1.588	360	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:4:1:	3:3:4:	4:4:1:1:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CCCH)(NCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)2(H)2	C(C[6a]C[6a]2)(CCCH)(NCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)2(H)2	110.6537	0.350	3	110.6537	0.123	3	111.3776	1.249	14	111.6036	1.458	45	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:4:1:	3:3:4:	4:4:1:1:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(NCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	N(CC[6a]CH)2(H)2	C(C[6a]C[6a]2)(CCHH)(NCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]CH)2(H)2	110.7890	0.298	2	110.7890	0.089	2	111.3776	1.249	14	111.6036	1.458	45	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:4:1:	3:3:4:	4:4:1:1:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(NCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)2(H)2	C(C[6a]C[6a]2)(CCHH)(NCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)2(H)2	111.4590	0.000	1	111.4590	0.000	1	111.3776	1.249	14	111.6036	1.458	45	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:4:1:	3:3:4:	4:4:1:1:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]HH)(NCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	N(CC[6a]CH)2(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(NCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]CH)2(H)2	110.1300	0.918	2	110.1300	0.842	2	111.3776	1.249	14	111.6036	1.458	45	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:4:1:	3:3:4:	4:4:1:1:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]HH)(NCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(NCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]HH)(H)2	112.5050	0.000	1	112.5050	0.000	1	111.3776	1.249	14	111.6036	1.458	45	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:4:1:	3:3:4:	4:4:1:1:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]HH)(NCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)2(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(NCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)2(H)2	113.7220	0.000	1	113.7220	0.000	1	111.3776	1.249	14	111.6036	1.458	45	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:4:1:	3:3:4:	4:4:1:1:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]HN)(NCHH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CC[6a]HN)(NCHH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CH3)(H)2	111.0360	0.000	1	111.0360	0.000	1	111.3776	1.249	14	111.6036	1.458	45	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:4:1:	3:3:4:	4:4:1:1:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CHHO)(NCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)2(H)2	C(C[6a]C[6a]2)(CHHO)(NCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)2(H)2	112.2550	0.490	3	112.2550	0.240	3	111.3776	1.249	14	111.6036	1.458	45	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:4:1:	3:3:4:	4:4:1:1:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:H-1:	C(C[6a]C[6a]2)(CCHS)(NHHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SC[6a]OO)(H)2	C(C[6a]C[6a]2)(CCHS)(NHHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SC[6a]OO)(H)2	114.0075	1.012	2	114.0075	1.024	2	114.0075	1.024	2	111.6036	1.458	45	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:4:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a,6a]C[6a])(NCHH)(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a,6a]C[6a])(NCHH)(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN){2|H<1>,3|C<3>}	N(CC[6a]CH)(CCHH)(H)2	111.6600	0.249	2	111.6600	0.062	2	111.6600	0.062	2	111.6036	1.458	45	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:4:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:H-1:H-1:	C(C[6a]C[6a,6a]C[6a])(NC[6]HH)(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN)	N(C[6]C[6,6a]C[6]H)(CC[6a]CH)(H)2	C(C[6a]C[6a,6a]C[6a])(NC[6]HH)(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN){2|H<1>,3|C<3>}	N(C[6]C[6,6a]C[6]H)(CC[6a]CH)(H)2	109.7445	2.046	2	109.7445	4.185	2	109.7445	4.185	2	111.6036	1.458	45	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:4:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:B-4:H-1:H-1:	C(C[6a]C[6a]2)(NBHH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(BC[6a]3)(H)2	C(C[6a]C[6a]2)(NBHH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(BC[6a]3)(H)2	112.6780	0.000	1	112.6780	0.000	1	112.6780	0.000	1	111.6036	1.458	45	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:4:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	N(CC[6a]CH)2(H)2	C(C[6a]C[6a]2)(NCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]CH)2(H)2	111.6390	0.000	1	111.3060	0.179	4	111.4301	1.193	13	111.6036	1.458	45	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:4:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	N(CC[6a]CH)2(H)2	C(C[6a]C[6a]2)(NCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|C<3>,2|C<4>}	N(CC[6a]CH)2(H)2	111.3090	0.559	2	111.3060	0.179	4	111.4301	1.193	13	111.6036	1.458	45	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:4:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	N(CC[6a]CH)2(H)2	C(C[6a]C[6a]2)(NCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]CH)2(H)2	110.9670	0.000	1	111.3060	0.179	4	111.4301	1.193	13	111.6036	1.458	45	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:4:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6,6]HH)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(NCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6,6]HH)(CC[6a]CH)(H)2	113.1720	0.000	1	113.1720	0.000	1	111.4301	1.193	13	111.6036	1.458	45	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:4:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(NCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]HH)(H)2	112.6900	0.000	1	112.6900	0.000	1	111.4301	1.193	13	111.6036	1.458	45	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:4:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(NCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CH3)(H)2	111.3790	0.000	1	111.3790	0.000	1	111.4301	1.193	13	111.6036	1.458	45	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:4:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)2(H)2	C(C[6a]C[6a]2)(NCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)2(H)2	110.9770	1.417	5	110.9770	2.009	5	111.4301	1.193	13	111.6036	1.458	45	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:4:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]PtH)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(NCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]PtH)(CC[6a]CH)(H)2	111.2410	0.000	1	111.2410	0.000	1	111.4301	1.193	13	111.6036	1.458	45	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:4:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NC[5]HH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[5]C[5]2H)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(NC[5]HH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[5]C[5]2H)(CC[6a]CH)(H)2	111.6377	1.048	4	111.6377	1.098	4	111.6377	1.098	4	111.6036	1.458	45	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:4:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NC[6]HH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[6]C[6]2H)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(NC[6]HH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]CH)(H)2	111.6342	0.669	4	111.6342	0.448	4	111.6342	0.448	4	111.6036	1.458	45	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:4:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:P-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a,6a]C[6a])(NCHH)(PO3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHNP)	N(CC[6a]HP)(CCHH)(H)2	C(C[6a]C[6a,6a]C[6a])(NCHH)(PO3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHNP){2|H<1>,3|C<3>}	N(CC[6a]HP)(CCHH)(H)2	112.2600	0.000	1	112.2600	0.000	1	112.2600	0.000	1	111.6036	1.458	45	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:4:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NCHH)(PO3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHNP)	N(CC[6a]HH)(CC[6a]HP)(H)2	C(C[6a]C[6a]2)(NCHH)(PO3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHNP){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6a]HP)(H)2	112.8090	0.000	1	112.8090	0.000	1	112.7185	0.016	2	111.6036	1.458	45	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:4:1:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NCHH)(PO3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHNP)	N(CC[6a]HP)(CCHH)(H)2	C(C[6a]C[6a]2)(NCHH)(PO3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHNP){1|C<3>,2|H<1>}	N(CC[6a]HP)(CCHH)(H)2	112.6280	0.000	1	112.6280	0.000	1	112.7185	0.016	2	111.6036	1.458	45	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:4:1:	3:3:4:	4:4:4:1:	C[6a]-3:N-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCCH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CCCH)(CCHH)(H)	C(C[6a]C[6a]2)(NCCH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CCCH)(CCHH)(H)	110.4170	0.000	1	110.4170	0.000	1	111.5280	2.469	2	110.5642	3.484	6	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:4:1:	3:3:4:	4:4:4:1:	C[6a]-3:N-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCCH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[6a]HH)(CC[3]HH)(H)	C(C[6a]C[6a]2)(NCCH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]HH)(CC[3]HH)(H)	112.6390	0.000	1	112.6390	0.000	1	111.5280	2.469	2	110.5642	3.484	6	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:4:1:	3:3:4:	4:4:4:1:	C[6a]-3:N-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:P-4:H-1:	C(C[6a]C[6a]2)(NCHP)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)2(PPdOO)(H)	C(C[6a]C[6a]2)(NCHP)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)2(PPdOO)(H)	110.0823	2.014	4	110.0823	4.055	4	110.0823	4.055	4	110.5642	3.484	6	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:4:1:	3:3:4:	4:4:4:4:	C[6a]-3:C-4:N-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a,6a]C[6a])(CH3)(NC3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(CH3)3	C(C[6a]C[6a,6a]C[6a])(CH3)(NC3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN){2|H<1>,3|C<3>}	N(CC[6a]CH)(CH3)3	111.4255	0.586	2	111.4255	0.344	2	111.4255	0.344	2	111.7044	1.762	7	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:4:1:	3:3:4:	4:4:4:4:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(CH3)(NC3)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)2(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(CH3)(NC3)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHN){2|H<1>,3|C<3>}	N(CC[6a]CH)2(CC[6a]HH)(CH3)	113.7590	0.000	1	113.7590	0.000	1	111.8160	2.502	5	111.7044	1.762	7	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:4:1:	3:3:4:	4:4:4:4:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(CH3)(NC3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CH3)3	C(C[6a]C[6a]2)(CH3)(NC3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CH3)3	111.8443	1.029	3	111.8443	1.059	3	111.8160	2.502	5	111.7044	1.762	7	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:4:1:	3:3:4:	4:4:4:4:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(CHHO)(NC3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)2(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(CHHO)(NC3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)2(CC[6a]HH)(CH3)	109.7880	0.000	1	109.7880	0.000	1	111.8160	2.502	5	111.7044	1.762	7	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:4:3:	3:3:4:	4:1:1:1:	C[6a]-3:C-4:N-4:C-3:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CH3)(NH3)(COO)	C[6a](C[6a]C[6a]H)2(CCCN)	N(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CH3)(NH3)(COO)	C[6a](C[6a]C[6a]H)2(CCCN){1|C<3>,2|H<1>}	N(CC[6a]CC)(H)3	109.5320	0.000	1	109.5320	0.000	1	109.5320	0.000	1	109.5320	0.000	1	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:4:3:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:C-4:C-3:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NCHH)(CH3)(CCH)	C[6a](C[6a]C[6a]H)2(CCCN)	N(CC[6a]CC)(CH3)(H)2	C(C[6a]C[6a]2)(NCHH)(CH3)(CCH)	C[6a](C[6a]C[6a]H)2(CCCN){1|C<3>,2|H<1>}	N(CC[6a]CC)(CH3)(H)2	108.4230	0.000	1	108.4230	0.000	1	108.4230	0.000	1	108.4230	0.000	1	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:4:4:	3:3:4:	4:1:1:1:	C[6a]-3:C-4:C-4:N-4:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CCCH)(CH3)(NH3)	C[6a](C[6a]C[6a]H)2(CCCN)	N(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CCCH)(CH3)(NH3)	C[6a](C[6a]C[6a]H)2(CCCN){1|C<3>,2|H<1>}	N(CC[6a]CC)(H)3	108.2900	0.000	1	108.2900	0.000	1	108.2900	0.000	1	108.2900	0.000	1	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	3:4:4:4:	3:3:4:	4:4:1:1:	C[6a]-3:N-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:H-1:	C(C[6a]C[6,6a]C[6a])(NHHS)(CH3)2	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]H)(CCCN)	N(CC[6a]CC)(SC[6a]OO)(H)2	C(C[6a]C[6,6a]C[6a])(NHHS)(CH3)2	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]H)(CCCN){2|C<3>,2|C<4>,2|H<1>}	N(CC[6a]CC)(SC[6a]OO)(H)2	112.1050	0.000	1	112.1050	0.000	1	112.1050	0.000	1	112.1050	0.000	1	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	4:3:1:1:	3:3:4:	5:4:1:1:	N-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	B[3,3,5,3x6]-5:C-4:H-1:H-1:	C(NB[3,3,5,3x6]HH)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(B[3,3,5,3x6]B[4x3,5,5,4x6]2B[5x3,5,5,6]H)(CC[6a]HH)(H)2	C(NB[3,3,5,3x6]HH)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(B[3,3,5,3x6]B[4x3,5,5,4x6]2B[5x3,5,5,6]H)(CC[6a]HH)(H)2	111.4670	0.000	1	111.4670	0.000	1	111.4670	0.000	1	111.4670	0.000	1	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	4:3:1:1:	3:3:4:	6:4:4:1:	N-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	B[3x3,3x5,12x6]-6:C-4:C-4:H-1:	C(NB[3x3,3x5,12x6]CH)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Co)(CC[6a]HH)2(H)	C(NB[3x3,3x5,12x6]CH)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Co)(CC[6a]HH)2(H)	116.0658	0.816	4	116.0658	0.665	4	116.0658	0.665	4	116.0658	0.665	4	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	4:3:4:1:	3:3:4:	4:1:1:1:	C[5]-4:C[6a]-3:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	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[6a](C[6a]C[6a]H)2(CC[5]HN)	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[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,2|H<1>}	N(CC[6a]C[5]H)(H)3	110.9535	1.447	2	110.9535	2.095	2	110.9535	2.095	2	110.9535	2.095	2	111.5651	6.009	1867	111.5651	6.009	1867
490	643	892	0:SP3_SP2_SP3	C	C[6a]	N	4:3:4:1:	3:3:4:	4:4:4:1:	C[6]-4:C[6a]-3:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:H-1:	C(C[6]C[6]N[6]O)(C[6a]C[6a]2)(NCCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	N(CC[6a]C[6]H)(CCHH)2(H)	C(C[6]C[6]N[6]O)(C[6a]C[6a]2)(NCCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,2|H<1>}	N(CC[6a]C[6]H)(CCHH)2(H)	111.2740	0.000	1	111.2740	0.000	1	111.2740	0.000	1	111.2740	0.000	1	111.5651	6.009	1867	111.5651	6.009	1867
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:2:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6]-3:C-4:	C(C[6a]C[6a]N[6a])(OC[6])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	O(C[6]C[6]N[6])(CC[6a]HH)	C(C[6a]C[6a]N[6a])(OC[6])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|C<3>,2|H<1>}	O(C[6]C[6]N[6])(CC[6a]HH)	107.4015	0.221	2	107.4015	0.049	2	107.4015	0.049	2	109.1249	7.751	42	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:2:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]N[6a])(OC[6a])(H)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CHHO)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(OC[6a])(H)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CHHO){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	106.9375	0.152	2	106.9375	0.023	2	109.2111	7.987	40	109.1249	7.751	42	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:2:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]N[6a])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	110.3750	1.792	4	109.2819	8.188	35	109.2111	7.987	40	109.1249	7.751	42	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:2:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]N[6a])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	109.4294	3.360	19	109.2819	8.188	35	109.2111	7.987	40	109.1249	7.751	42	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:2:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]N[6a])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	108.6630	0.000	1	109.2819	8.188	35	109.2111	7.987	40	109.1249	7.751	42	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:2:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]N[6a])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	108.6859	2.367	11	109.2819	8.188	35	109.2111	7.987	40	109.1249	7.751	42	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:2:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]N[6a])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C(C[6a]C[6a]N[6a])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])(CC[6a]HH)	110.5180	0.000	1	110.5180	0.000	1	109.2111	7.987	40	109.1249	7.751	42	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:2:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]N[6a])(OC[6a])(H)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CHHO)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(OC[6a])(H)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CHHO){1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(CC[6a]HH)	109.5925	4.538	2	109.5925	20.589	2	109.2111	7.987	40	109.1249	7.751	42	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:2:4:	4:2:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:N-2:	C(C[6a]C[6a]N[6a])(ON)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	O(CC[6a]HH)(NC)	C(C[6a]C[6a]N[6a])(ON)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]HH)(NC)	112.0600	1.052	8	112.0600	1.106	8	112.0439	0.970	9	112.0439	0.970	9	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:2:4:	4:2:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:N-2:	C(C[6a]C[6a]N[6a])(ON)(H)2	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CHHO)	O(CC[6a]HH)(NC)	C(C[6a]C[6a]N[6a])(ON)(H)2	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CHHO){1|C<3>,1|H<1>}	O(CC[6a]HH)(NC)	111.9150	0.000	1	111.9150	0.000	1	112.0439	0.970	9	112.0439	0.970	9	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:2:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-3:	C(C[6a]C[6a]N[6a])(OC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	O(CC[6a]HH)(CC[5]O)	C(C[6a]C[6a]N[6a])(OC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]HH)(CC[5]O)	112.9920	0.000	1	112.9920	0.000	1	110.6968	4.367	6	110.1003	6.130	7	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:2:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-3:	C(C[6a]C[6a]N[6a])(OC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	O(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]HH)(CC[6a]O)	109.1405	0.419	2	110.0940	5.033	4	110.6968	4.367	6	110.1003	6.130	7	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:2:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-3:	C(C[6a]C[6a]N[6a])(OC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	O(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CC[6a]O)	111.0475	3.359	2	110.0940	5.033	4	110.6968	4.367	6	110.1003	6.130	7	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:2:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-3:	C(C[6a]C[6a]N[6a])(OC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	O(CC[6a]HH)(CSS)	C(C[6a]C[6a]N[6a])(OC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CSS)	110.8130	0.000	1	110.8130	0.000	1	110.6968	4.367	6	110.1003	6.130	7	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:2:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:O[6a]-2:C-4:	C-4:C-3:	C(C[6a]C[6a]O[6a])(OC)(H)2	C[6a](C[6a]C[6a,6a]H)(O[6a]C[6a])(CHHO)	O(CC[6a]HH)(CHO)	C(C[6a]C[6a]O[6a])(OC)(H)2	C[6a](C[6a]C[6a,6a]H)(O[6a]C[6a])(CHHO){1|O<1>,2|C<3>}	O(CC[6a]HH)(CHO)	106.5210	0.000	1	106.5210	0.000	1	106.5210	0.000	1	110.1003	6.130	7	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:Cl-1:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(Cl)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCl2O)	O(C[6a]C[6a]2)(CC[6a]Cl2)	C(C[6a]C[6a]2)(OC[6a])(Cl)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCl2O){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]Cl2)	108.4400	0.323	3	108.4400	0.104	3	108.4400	0.104	3	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6,6a]C[6a])(OC[6a])(H)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CHHO)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(OC[6a])(H)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CHHO){2|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CC[6a]HH)	108.4955	0.124	2	108.4955	0.015	2	108.4955	0.015	2	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	B[5]-3:C-4:	C(C[6a]C[6a,6a]2)(OB[5])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHO)	O(B[5]O[5]2)(CC[6a]HH)	C(C[6a]C[6a,6a]2)(OB[5])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHO){2|H<1>,5|C<3>}	O(B[5]O[5]2)(CC[6a]HH)	109.5880	0.000	1	109.5880	0.000	1	109.5880	0.000	1	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a,6a]2)(OC[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHO)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a,6a]2)(OC[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHO){2|H<1>,5|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	110.2975	4.366	2	110.2975	19.065	2	110.2975	19.065	2	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(OC[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CHHO)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(OC[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CHHO){2|C<4>,3|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	108.6430	0.000	1	108.6430	0.000	1	108.7242	1.266	5	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(OC[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHO)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(OC[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHO){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	109.3005	0.366	2	109.3005	0.134	2	108.7242	1.266	5	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(OC[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHHO)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(OC[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHHO){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	108.1885	1.920	2	108.1885	3.686	2	108.7242	1.266	5	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	B[5]-3:C-4:	C(C[6a]C[6a]2)(OB[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(B[5]N[5]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OB[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(B[5]N[5]2)(CC[6a]HH)	110.4450	0.000	1	110.4450	0.000	1	110.4450	0.000	1	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	B[5a]-3:C-4:	C(C[6a]C[6a]2)(OB[5a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(B[5a]N[5a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OB[5a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(B[5a]N[5a]2)(CC[6a]HH)	113.2740	0.000	1	113.2740	0.000	1	113.2740	0.000	1	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-3:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO)	O(CC[5,5,6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	O(CC[5,5,6]O)(CC[6a]HH)	108.2320	2.155	2	108.2320	4.645	2	109.5265	5.291	4	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-3:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[3x5,6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[3x5,6]O)(CC[6a]HH)	109.3170	0.000	1	109.3170	0.000	1	109.5265	5.291	4	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-3:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[5,5,6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[5,5,6]O)(CC[6a]HH)	112.3250	0.000	1	112.3250	0.000	1	109.5265	5.291	4	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C-4:	C(C[6a]C[6a]2)(OC[5])(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHO)	O(C[5]C[5,6]C[5])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[5])(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHO){1|C<3>,1|H<1>}	O(C[5]C[5,6]C[5])(CC[6a]HH)	113.2200	0.000	1	113.2200	0.000	1	110.0010	7.431	6	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C-4:	C(C[6a]C[6a]2)(OC[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[5]C[5,6]C[5])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(C[5]C[5,6]C[5])(CC[6a]HH)	113.4840	0.000	1	113.4840	0.000	1	110.0010	7.431	6	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C-4:	C(C[6a]C[6a]2)(OC[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[5]C[5]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(C[5]C[5]2)(CC[6a]HH)	109.2380	0.000	1	109.2380	0.000	1	110.0010	7.431	6	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C-4:	C(C[6a]C[6a]2)(OC[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[5]N[5]O[5])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(C[5]N[5]O[5])(CC[6a]HH)	107.4175	0.368	2	107.4175	0.136	2	110.0010	7.431	6	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C-4:	C(C[6a]C[6a]2)(OC[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[5]N[5]S[5])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(C[5]N[5]S[5])(CC[6a]HH)	109.2290	0.000	1	109.2290	0.000	1	110.0010	7.431	6	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C-4:	C(C[6a]C[6a]2)(OC[5a])(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHHO)	O(C[5a]C[5a,6a]C[5a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[5a])(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHHO){1|C<3>,1|H<1>,1|O<2>}	O(C[5a]C[5a,6a]C[5a])(CC[6a]HH)	110.0620	0.000	1	110.0620	0.000	1	108.4220	1.159	8	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C-4:	C(C[6a]C[6a]2)(OC[5a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO)	O(C[5a]C[5a]N[5a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[5a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO){1|C<3>,2|H<1>}	O(C[5a]C[5a]N[5a])(CC[6a]HH)	109.8970	0.000	1	109.8970	0.000	1	108.4220	1.159	8	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C-4:	C(C[6a]C[6a]2)(OC[5a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[5a]C[5a,6]N[5a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[5a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(C[5a]C[5a,6]N[5a])(CC[6a]HH)	108.3655	0.443	2	108.3655	0.197	2	108.4220	1.159	8	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C-4:	C(C[6a]C[6a]2)(OC[5a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[5a]C[5a,6a]N[5a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[5a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(C[5a]C[5a,6a]N[5a])(CC[6a]HH)	107.6730	0.000	1	107.6730	0.000	1	108.4220	1.159	8	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C-4:	C(C[6a]C[6a]2)(OC[5a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[5a]C[5a]O[5a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[5a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(C[5a]C[5a]O[5a])(CC[6a]HH)	108.2300	0.000	1	108.2300	0.000	1	108.4220	1.159	8	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C-4:	C(C[6a]C[6a]2)(OC[5a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[5a]N[5a,6]C[5a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[5a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(C[5a]N[5a,6]C[5a])(CC[6a]HH)	107.7930	0.000	1	107.7930	0.000	1	108.4220	1.159	8	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C-4:	C(C[6a]C[6a]2)(OC[5a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[5a]N[5a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[5a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(C[5a]N[5a]2)(CC[6a]HH)	106.9900	0.000	1	106.9900	0.000	1	108.4220	1.159	8	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-3:C-4:	C(C[6a]C[6a]2)(OC[6,6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[6,6]C[3x6]C[6,6])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6,6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(C[6,6]C[3x6]C[6,6])(CC[6a]HH)	111.2790	0.000	1	111.2790	0.000	1	111.2790	0.000	1	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C-4:	C(C[6a]C[6a]2)(OC[6])(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHHO)	O(C[6]C[6]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6])(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHHO){1|H<1>,2|C<3>}	O(C[6]C[6]2)(CC[6a]HH)	108.2908	0.819	4	108.2908	0.672	4	108.3676	1.447	18	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C-4:	C(C[6a]C[6a]2)(OC[6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[6]C[6,6]C[6])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(C[6]C[6,6]C[6])(CC[6a]HH)	108.1630	0.000	1	108.1630	0.000	1	108.3676	1.447	18	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C-4:	C(C[6a]C[6a]2)(OC[6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[6]C[6]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|C<4>}	O(C[6]C[6]2)(CC[6a]HH)	107.7250	2.059	2	108.6766	2.465	9	108.3676	1.447	18	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C-4:	C(C[6a]C[6a]2)(OC[6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[6]C[6]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(C[6]C[6]2)(CC[6a]HH)	108.9484	1.481	7	108.6766	2.465	9	108.3676	1.447	18	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C-4:	C(C[6a]C[6a]2)(OC[6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[6]C[6]N[6])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(C[6]C[6]N[6])(CC[6a]HH)	107.9373	0.465	3	107.9373	0.216	3	108.3676	1.447	18	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C-4:	C(C[6a]C[6a]2)(OC[6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[6]N[6]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(C[6]N[6]2)(CC[6a]HH)	107.3890	0.000	1	107.3890	0.000	1	108.3676	1.447	18	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(CHHO)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(CHHO){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	105.2710	0.000	1	105.2710	0.000	1	108.8192	4.611	873	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHO)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHO){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	106.9760	0.787	4	106.9760	0.619	4	108.8192	4.611	873	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CHHO)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CHHO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	109.2630	0.000	1	109.2630	0.000	1	108.8192	4.611	873	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHHO)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHHO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	107.4342	0.976	4	107.4342	0.953	4	108.8192	4.611	873	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CHHO)	O(C[6a]C[6a,6a]C[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CHHO){2|C<3>}	O(C[6a]C[6a,6a]C[6a])(CC[6a]HH)	108.0820	0.000	1	108.0820	0.000	1	108.8192	4.611	873	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CHHO)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CHHO){2|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	107.2077	0.787	7	107.2077	0.619	7	108.8192	4.611	873	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CHHO)	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CHHO){2|C<3>}	O(C[6a]C[6a]N[6a])(CC[6a]HH)	107.2362	0.979	4	107.2362	0.959	4	108.8192	4.611	873	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CHHO)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CHHO){2|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	108.0776	1.116	5	108.0776	1.245	5	108.8192	4.611	873	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHO)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHO){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	112.1902	1.850	6	111.3667	4.769	8	108.8192	4.611	873	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHO)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHO){5|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	108.8965	0.032	2	111.3667	4.769	8	108.8192	4.611	873	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CHHO)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	107.3160	1.887	2	107.3160	3.559	2	108.8192	4.611	873	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CHHO)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	112.6140	0.000	1	112.6140	0.000	1	108.8192	4.611	873	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHO)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CC[6a]HH)	106.4310	0.000	1	106.4310	0.000	1	108.8192	4.611	873	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO)	O(C[6a]C[6,6a]C[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	O(C[6a]C[6,6a]C[6a])(CC[6a]HH)	113.3730	0.000	1	113.3730	0.000	1	108.8192	4.611	873	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	109.7513	2.919	12	109.4178	5.006	48	108.8192	4.611	873	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CC[6a]HH)	108.1033	2.565	3	109.4178	5.006	48	108.8192	4.611	873	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	109.5034	1.982	31	109.4178	5.006	48	108.8192	4.611	873	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO){1|N<2>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	108.0615	0.281	2	109.4178	5.006	48	108.8192	4.611	873	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO)	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])(CC[6a]HH)	107.7030	1.210	3	107.7030	1.464	3	108.8192	4.611	873	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)2(CHHO)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)2(CHHO){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CC[6a]HH)	107.3123	1.587	114	107.3123	2.519	114	108.8192	4.611	873	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CHHO)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CHHO){1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	114.6550	0.000	1	114.6550	0.000	1	108.8192	4.611	873	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHO)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	109.4760	2.808	9	109.4760	7.884	9	108.8192	4.611	873	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]Cl)2(CHHO)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]Cl)2(CHHO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	112.2280	0.031	2	112.2280	0.001	2	108.8192	4.611	873	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHHO)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	108.0630	0.579	5	108.0630	0.336	5	108.8192	4.611	873	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]F)2(CHHO)	O(C[6a]C[6,6a]C[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]F)2(CHHO){1|C<3>,2|F<1>}	O(C[6a]C[6,6a]C[6a])(CC[6a]HH)	107.1770	0.185	2	107.1770	0.034	2	108.8192	4.611	873	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]F)2(CHHO)	O(C[6a]C[6a,6a]C[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]F)2(CHHO){1|C<3>,2|F<1>}	O(C[6a]C[6a,6a]C[6a])(CC[6a]HH)	107.2625	0.653	2	107.2625	0.426	2	108.8192	4.611	873	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]F)2(CHHO)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]F)2(CHHO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	107.0160	0.000	1	107.0160	0.000	1	108.8192	4.611	873	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]F)2(CHHO)	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]F)2(CHHO){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])(CC[6a]HH)	107.4360	0.000	1	107.4360	0.000	1	108.8192	4.611	873	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CC[6a]HH)	107.3250	0.000	1	107.3250	0.000	1	108.8192	4.611	873	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	107.4663	0.286	3	109.0481	3.848	11	108.8192	4.611	873	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	107.8457	0.408	4	109.0481	3.848	11	108.8192	4.611	873	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	111.4368	0.753	4	109.0481	3.848	11	108.8192	4.611	873	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHO)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	107.8220	0.000	1	107.8220	0.000	1	108.8192	4.611	873	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CHHO)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CHHO){1|C<3>,1|C<4>}	O(C[6a]C[6a]2)(CC[6a]HH)	113.7540	0.599	6	113.7540	0.359	6	108.8192	4.611	873	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHO)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHO){1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	108.5934	1.428	13	108.5934	2.040	13	108.8192	4.611	873	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHO)	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHO){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(CC[6a]HH)	108.1215	0.128	2	108.1215	0.016	2	108.8192	4.611	873	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[6a]C[5,6a]C[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(C[6a]C[5,6a]C[6a])(CC[6a]HH)	106.7290	0.000	1	106.7290	0.000	1	108.8192	4.611	873	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[6a]C[5a,6a]C[6,6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(C[6a]C[5a,6a]C[6,6a])(CC[6a]HH)	108.5280	0.000	1	108.5280	0.000	1	108.8192	4.611	873	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[6a]C[5a,6a]C[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(C[6a]C[5a,6a]C[6a])(CC[6a]HH)	109.7303	1.992	6	109.7303	3.969	6	108.8192	4.611	873	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[6a]C[5a,6a]N[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(C[6a]C[5a,6a]N[6a])(CC[6a]HH)	111.1730	0.000	1	111.1730	0.000	1	108.8192	4.611	873	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[6a]C[6,6,6a]C[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(C[6a]C[6,6,6a]C[6a])(CC[6a]HH)	107.1400	0.000	1	107.1400	0.000	1	108.8192	4.611	873	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[6a]C[6,6a]C[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(C[6a]C[6,6a]C[6a])(CC[6a]HH)	108.5197	1.771	9	108.5197	3.135	9	108.8192	4.611	873	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[6a]C[6a,6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(C[6a]C[6a,6a]2)(CC[6a]HH)	109.3910	0.000	1	109.3910	0.000	1	108.8192	4.611	873	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[6a]C[6a,6a]C[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(CC[6a]HH)	108.4698	0.962	18	108.4698	0.926	18	108.8192	4.611	873	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[6a]C[6a,6a]N[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(C[6a]C[6a,6a]N[6a])(CC[6a]HH)	108.6485	0.835	2	108.6485	0.697	2	108.8192	4.611	873	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	110.0143	2.316	3	109.0783	4.320	515	108.8192	4.611	873	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	108.9276	2.603	22	109.0783	4.320	515	108.8192	4.611	873	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CC[6a]HH)	108.7895	1.092	2	109.0783	4.320	515	108.8192	4.611	873	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	109.2722	0.640	4	109.0783	4.320	515	108.8192	4.611	873	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	108.2450	0.000	1	109.0783	4.320	515	108.8192	4.611	873	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CC[6a]HH)	107.5810	0.000	1	109.0783	4.320	515	108.8192	4.611	873	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CC[6a]HH)	109.0303	1.005	3	109.0783	4.320	515	108.8192	4.611	873	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|F<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	108.6287	1.480	3	109.0783	4.320	515	108.8192	4.611	873	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	109.1339	2.075	437	109.0783	4.320	515	108.8192	4.611	873	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CC[6a]HH)	109.3640	4.052	7	109.0783	4.320	515	108.8192	4.611	873	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	111.0880	3.227	2	109.0783	4.320	515	108.8192	4.611	873	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	106.9825	0.822	2	109.0783	4.320	515	108.8192	4.611	873	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CC[6a]HH)	107.4990	0.000	1	109.0783	4.320	515	108.8192	4.611	873	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|N<2>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]HH)	108.3227	1.049	27	109.0783	4.320	515	108.8192	4.611	873	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])(CC[6a]HH)	108.3602	2.167	37	108.5382	5.084	39	108.8192	4.611	873	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|N<2>,2|H<1>}	O(C[6a]C[6a]N[6a])(CC[6a]HH)	111.8305	1.114	2	108.5382	5.084	39	108.8192	4.611	873	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[6a]N[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]N[6a]2)(CC[6a]HH)	111.5253	1.954	7	109.9672	5.112	15	108.8192	4.611	873	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[6a]N[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(C[6a]N[6a]2)(CC[6a]HH)	108.6039	1.549	8	109.9672	5.112	15	108.8192	4.611	873	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]O)2(CHHO)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]O)2(CHHO){1|C<3>,2|C<4>}	O(C[6a]C[6a]2)(CC[6a]HH)	104.8640	0.000	1	106.8020	7.512	2	108.8192	4.611	873	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]O)2(CHHO)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]O)2(CHHO){1|C<3>,2|O<2>}	O(C[6a]C[6a]2)(CC[6a]HH)	108.7400	0.000	1	106.8020	7.512	2	108.8192	4.611	873	108.8286	4.524	925	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:2:	C[6a]-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:N-2:	C(C[6a]C[6a,6a]2)(ON)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHO)	O(CC[6a]HH)(NC)	C(C[6a]C[6a,6a]2)(ON)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHO){2|H<1>,5|C<3>}	O(CC[6a]HH)(NC)	112.2250	0.000	1	112.2250	0.000	1	112.2250	0.000	1	110.4847	6.810	49	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:2:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-2:	C(C[6a]C[6a]2)(ON)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(NC[6])	C(C[6a]C[6a]2)(ON)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(NC[6])	110.9755	3.260	2	110.9755	10.631	2	110.4485	6.889	48	110.4847	6.810	49	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:2:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-2:	C(C[6a]C[6a]2)(ON)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(NC)	C(C[6a]C[6a]2)(ON)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(NC)	108.8903	2.992	6	108.8903	8.953	6	110.4485	6.889	48	110.4847	6.810	49	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:2:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-2:	C(C[6a]C[6a]2)(ON)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(NC)	C(C[6a]C[6a]2)(ON)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(NC)	110.3760	0.000	1	110.3760	0.000	1	110.4485	6.889	48	110.4847	6.810	49	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:2:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-2:	C(C[6a]C[6a]2)(ON)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(NC[6])	C(C[6a]C[6a]2)(ON)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(NC[6])	112.8930	0.000	1	112.8930	0.000	1	110.4485	6.889	48	110.4847	6.810	49	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:2:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-2:	C(C[6a]C[6a]2)(ON)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(NC[6])	C(C[6a]C[6a]2)(ON)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(NC[6])	108.2180	0.000	1	108.2180	0.000	1	110.4485	6.889	48	110.4847	6.810	49	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:2:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-2:	C(C[6a]C[6a]2)(ON)(H)2	C[6a](C[6a]C[6a]F)2(CHHO)	O(CC[6a]HH)(NC)	C(C[6a]C[6a]2)(ON)(H)2	C[6a](C[6a]C[6a]F)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(NC)	107.3210	0.000	1	107.3210	0.000	1	110.4485	6.889	48	110.4847	6.810	49	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:2:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-2:	C(C[6a]C[6a]2)(ON)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	O(CC[6a]HH)(NC)	C(C[6a]C[6a]2)(ON)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(NC)	111.1330	3.145	2	111.1330	9.892	2	110.4485	6.889	48	110.4847	6.810	49	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:2:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-2:	C(C[6a]C[6a]2)(ON)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHO)	O(CC[6a]HH)(NC)	C(C[6a]C[6a]2)(ON)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHO){1|C<3>,1|H<1>}	O(CC[6a]HH)(NC)	112.1750	0.000	1	112.1750	0.000	1	110.4485	6.889	48	110.4847	6.810	49	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:2:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-2:	C(C[6a]C[6a]2)(ON)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(NC)	C(C[6a]C[6a]2)(ON)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(NC)	110.3266	2.652	17	110.3266	7.032	17	110.4485	6.889	48	110.4847	6.810	49	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:2:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-2:	C(C[6a]C[6a]2)(ON)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(NC[5])	C(C[6a]C[6a]2)(ON)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(NC[5])	110.8270	2.684	5	110.8270	7.202	5	110.4485	6.889	48	110.4847	6.810	49	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:2:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-2:	C(C[6a]C[6a]2)(ON)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(NC[6,6])	C(C[6a]C[6a]2)(ON)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(NC[6,6])	112.7120	0.000	1	112.7120	0.000	1	110.4485	6.889	48	110.4847	6.810	49	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:2:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-2:	C(C[6a]C[6a]2)(ON)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(NC[6])	C(C[6a]C[6a]2)(ON)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(NC[6])	110.5997	2.296	6	110.5997	5.270	6	110.4485	6.889	48	110.4847	6.810	49	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:2:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-2:	C(C[6a]C[6a]2)(ON)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(NN)	C(C[6a]C[6a]2)(ON)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(NN)	111.7470	3.562	4	111.7470	12.687	4	110.4485	6.889	48	110.4847	6.810	49	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6,6a]C[6a])(OC)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(CHHO)	O(CC[6a]HH)(CCO)	C(C[6a]C[6,6a]C[6a])(OC)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(CHHO){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(CC[6a]HH)(CCO)	107.9585	0.166	2	107.9585	0.028	2	107.9877	0.106	4	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6,6a]C[6a])(OC)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(CHHO)	O(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6,6a]C[6a])(OC)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(CHHO){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(CC[6a]HH)(CC[6a]O)	108.3950	0.000	1	108.3950	0.000	1	107.9877	0.106	4	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6,6a]C[6a])(OC)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]H)(CHHO)	O(CC[6a]HH)(CCO)	C(C[6a]C[6,6a]C[6a])(OC)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]H)(CHHO){1|H<1>,1|O<2>,2|C<3>}	O(CC[6a]HH)(CCO)	107.6390	0.000	1	107.6390	0.000	1	107.9877	0.106	4	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a,6a]2)(OC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHO)	O(CC[6a]HH)(CCO)	C(C[6a]C[6a,6a]2)(OC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHO){2|H<1>,5|C<3>}	O(CC[6a]HH)(CCO)	108.4240	0.000	1	108.4240	0.000	1	108.3940	2.351	3	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a,6a]2)(OC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHO)	O(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a,6a]2)(OC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHO){2|H<1>,5|C<3>}	O(CC[6a]HH)(CC[6a]O)	109.9120	0.000	1	109.9120	0.000	1	108.3940	2.351	3	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a,6a]2)(OC)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])2(CHHO)	O(CC[6a]HH)(CCO)	C(C[6a]C[6a,6a]2)(OC)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])2(CHHO){5|C<3>}	O(CC[6a]HH)(CCO)	106.8460	0.000	1	106.8460	0.000	1	108.3940	2.351	3	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a,6a]C[6a])(OC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(CC[5]O)	C(C[6a]C[6a,6a]C[6a])(OC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHO){2|H<1>,3|C<3>}	O(CC[6a]HH)(CC[5]O)	106.0090	0.000	1	106.0090	0.000	1	107.7390	5.986	2	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a,6a]C[6a])(OC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHO){2|H<1>,3|C<3>}	O(CC[6a]HH)(CC[6a]O)	109.4690	0.000	1	109.4690	0.000	1	107.7390	5.986	2	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:B-3:	C(C[6a]C[6a]2)(OB)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(BCC)	C(C[6a]C[6a]2)(OB)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(BCC)	109.2690	2.636	3	109.2690	6.948	3	109.7355	5.502	4	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:B-3:	C(C[6a]C[6a]2)(OB)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(BC[6a]2)	C(C[6a]C[6a]2)(OB)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(BC[6a]2)	111.1350	0.000	1	111.1350	0.000	1	109.7355	5.502	4	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]2)(CHHO)	O(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]2)(CHHO){1|C<4>,4|C<3>}	O(CC[6a]HH)(CCO)	106.9530	1.219	2	106.9530	1.486	2	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHHO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]HH)(CCO)	112.2390	0.000	1	112.2390	0.000	1	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(CC[3x6]O)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHHO){1|H<1>,2|C<3>}	O(CC[6a]HH)(CC[3x6]O)	110.5060	0.000	1	110.5060	0.000	1	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(CSS)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHHO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]HH)(CSS)	108.0130	0.000	1	108.0130	0.000	1	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CHHO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]HH)(CCO)	107.8250	0.000	1	107.8250	0.000	1	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CHHO)	O(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CHHO){1|H<1>,2|C<3>}	O(CC[6a]HH)(CCO)	106.0030	1.450	2	106.0030	2.101	2	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(CC[6]O)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHHO){1|H<1>,2|C<3>}	O(CC[6a]HH)(CC[6]O)	110.1170	0.000	1	110.1170	0.000	1	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CHHO)	O(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CHHO){3|C<3>}	O(CC[6a]HH)(CC[6a]O)	108.9644	2.136	8	108.9644	4.564	8	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(CHHO){1|H<1>,2|C<3>}	O(CC[6a]HH)(CCO)	109.6140	0.000	1	109.6140	0.000	1	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(CC[5]O)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(CHHO){1|H<1>,2|C<3>}	O(CC[6a]HH)(CC[5]O)	108.5540	0.000	1	108.5540	0.000	1	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CHHO)	O(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CHHO){5|C<3>}	O(CC[6a]HH)(CCO)	105.7530	0.000	1	105.7530	0.000	1	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHO){2|H<1>,3|C<3>}	O(CC[6a]HH)(CCO)	112.4500	0.000	1	112.4500	0.000	1	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(CC[6a]S)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHO){2|H<1>,3|C<3>}	O(CC[6a]HH)(CC[6a]S)	108.6920	0.000	1	108.6920	0.000	1	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CCO)	107.8315	1.634	2	107.8315	2.670	2	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(CC[6]O)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CC[6]O)	109.4765	4.768	2	109.4765	22.734	2	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CC[6a]O)	107.4320	1.106	2	108.0977	1.941	3	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHO){1|C<3>,2|O<2>}	O(CC[6a]HH)(CC[6a]O)	109.4290	0.000	1	108.0977	1.941	3	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(CCC)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CCC)	107.0402	0.767	5	107.0402	0.588	5	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO){1|C<2>,1|C<3>,1|H<1>}	O(CC[6a]HH)(CCO)	109.6070	0.000	1	107.8234	3.314	17	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]HH)(CCO)	109.6295	2.551	4	107.8234	3.314	17	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]HH)(CCO)	108.8670	0.000	1	107.8234	3.314	17	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CCO)	106.9095	0.836	11	107.8234	3.314	17	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(CC[3]O)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CC[3]O)	108.8490	0.000	1	108.8490	0.000	1	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(CC[6a]C)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CC[6a]C)	111.0640	0.000	1	111.0640	0.000	1	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CC[6a]O)	109.3528	2.907	8	109.3528	8.452	8	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHHO)	O(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHHO){1|C<3>,1|C<4>,1|O<2>}	O(CC[6a]HH)(CCO)	107.7360	0.000	1	108.9940	5.187	3	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHHO)	O(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CCO)	107.6230	0.000	1	108.9940	5.187	3	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHHO)	O(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHHO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]HH)(CCO)	111.6230	0.000	1	108.9940	5.187	3	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C)2(CHHO)	O(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C)2(CHHO){1|C<3>,2|C<4>}	O(CC[6a]HH)(CCO)	109.2127	1.486	6	108.8838	2.101	8	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C)2(CHHO)	O(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C)2(CHHO){1|C<4>,2|C<3>}	O(CC[6a]HH)(CCO)	107.8970	1.035	2	108.8838	2.101	8	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C)2(CHHO)	O(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C)2(CHHO){1|C<3>,2|C<4>}	O(CC[6a]HH)(CC[6a]O)	107.7448	0.609	6	107.7448	0.371	6	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CCO)	107.9880	0.000	1	107.9880	0.000	1	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CC[6a]O)	106.5550	0.000	1	106.5550	0.000	1	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]Cl)2(CHHO)	O(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]Cl)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CCO)	108.7120	0.000	1	108.7120	0.000	1	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHHO){1|C<3>,2|F<1>}	O(CC[6a]HH)(CC[6a]O)	107.0090	0.000	1	107.0090	0.000	1	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]F)2(CHHO)	O(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]F)2(CHHO){1|C<3>,1|F<1>,1|H<1>}	O(CC[6a]HH)(CCO)	106.4590	0.000	1	107.7523	1.164	10	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]F)2(CHHO)	O(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]F)2(CHHO){1|C<3>,2|F<1>}	O(CC[6a]HH)(CCO)	107.9843	1.284	6	107.7523	1.164	10	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]F)2(CHHO)	O(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]F)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CCO)	107.7193	0.341	3	107.7523	1.164	10	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]F)2(CHHO)	O(CC[6a]HH)(CC[3]O)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]F)2(CHHO){1|C<3>,2|F<1>}	O(CC[6a]HH)(CC[3]O)	107.1580	0.000	1	107.1580	0.000	1	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]F)2(CHHO)	O(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]F)2(CHHO){1|C<3>,1|F<1>,1|H<1>}	O(CC[6a]HH)(CC[6a]O)	107.3193	0.395	3	107.5151	2.752	29	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]F)2(CHHO)	O(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]F)2(CHHO){1|C<3>,2|F<1>}	O(CC[6a]HH)(CC[6a]O)	107.5545	1.784	25	107.5151	2.752	29	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]F)2(CHHO)	O(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]F)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CC[6a]O)	107.1180	0.000	1	107.5151	2.752	29	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]F)2(CHHO)	O(CC[6a]HH)(CNO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]F)2(CHHO){1|C<3>,2|F<1>}	O(CC[6a]HH)(CNO)	107.6980	0.000	1	107.6980	0.000	1	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO)	O(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]HH)(CCO)	109.8923	1.536	3	108.8830	2.168	6	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO)	O(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]HH)(CCO)	107.8565	0.062	2	108.8830	2.168	6	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO)	O(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CCO)	107.9080	0.000	1	108.8830	2.168	6	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO)	O(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CC[6a]O)	110.2740	0.000	1	110.2740	0.000	1	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	O(CC[6a]HH)(CC[6a]H)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|C<3>,2|C<4>}	O(CC[6a]HH)(CC[6a]H)	113.6260	0.000	1	113.6260	0.000	1	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	O(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]HH)(CC[6a]O)	109.8568	2.882	4	109.8568	8.306	4	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHO)	O(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]HH)(CCO)	108.6050	0.000	1	108.6050	0.000	1	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHO)	O(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHO){1|C<3>,1|H<1>}	O(CC[6a]HH)(CCO)	112.8480	0.000	1	112.8480	0.000	1	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHO)	O(CC[6a]HH)(CC[6]O)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHO){1|C<3>,1|H<1>}	O(CC[6a]HH)(CC[6]O)	109.5330	0.000	1	109.5330	0.000	1	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHO)	O(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHO){1|C<3>,1|H<1>}	O(CC[6a]HH)(CC[6a]O)	108.0180	0.837	2	108.0180	0.701	2	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHO)	O(CC[6a]HH)(CSS)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHO){1|C<3>,1|H<1>}	O(CC[6a]HH)(CSS)	111.6090	0.000	1	111.6090	0.000	1	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(CCC)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CCC)	107.6110	0.959	3	107.6110	0.920	3	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(CCH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CCH)	109.7550	0.000	1	109.7550	0.000	1	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(CCN)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CCN)	113.0910	0.000	1	113.0910	0.000	1	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,1|H<1>,1|N<2>}	O(CC[6a]HH)(CCO)	109.4405	0.542	2	109.5532	3.775	171	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]HH)(CCO)	109.4760	0.000	1	109.5532	3.775	171	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|F<1>}	O(CC[6a]HH)(CCO)	109.1457	0.266	3	109.5532	3.775	171	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CCO)	109.5891	1.995	158	109.5532	3.775	171	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|N<3>}	O(CC[6a]HH)(CCO)	108.1180	0.143	2	109.5532	3.775	171	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]HH)(CCO)	108.9610	0.000	1	109.5532	3.775	171	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|Ir<6>,1|C<3>,1|H<1>}	O(CC[6a]HH)(CCO)	107.7450	0.000	1	109.5532	3.775	171	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|N<2>,2|H<1>}	O(CC[6a]HH)(CCO)	110.2740	0.000	1	109.5532	3.775	171	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|Pt<4>,1|C<3>,1|H<1>}	O(CC[6a]HH)(CCO)	107.8480	0.000	1	109.5532	3.775	171	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){2|Cl<1>,1|C<3>}	O(CC[6a]HH)(CCO)	111.6630	0.000	1	109.5532	3.775	171	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(CC[3,5]O)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CC[3,5]O)	108.8270	0.000	1	108.8270	0.000	1	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(CC[3]O)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CC[3]O)	110.5900	0.000	1	110.5900	0.000	1	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(CC[4]O)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CC[4]O)	108.4137	1.368	3	108.4137	1.871	3	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(CC[5,6]O)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CC[5,6]O)	109.1500	0.000	1	109.1500	0.000	1	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(CC[5]O)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CC[5]O)	109.6437	2.107	69	109.6976	4.420	71	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(CC[5]O)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|O<2>}	O(CC[6a]HH)(CC[5]O)	111.5565	0.542	2	109.6976	4.420	71	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(CC[5a]O)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CC[5a]O)	109.4499	2.019	22	109.3510	4.114	23	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(CC[5a]O)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|N<2>,2|H<1>}	O(CC[6a]HH)(CC[5a]O)	107.1770	0.000	1	109.3510	4.114	23	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(CC[6,6]O)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CC[6,6]O)	107.2157	0.245	3	107.2157	0.060	3	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(CC[6]O)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|C<4>}	O(CC[6a]HH)(CC[6]O)	107.4210	0.000	1	108.7692	3.682	38	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(CC[6]O)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CC[6]O)	108.8183	2.069	31	108.7692	3.682	38	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(CC[6]O)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|O<2>}	O(CC[6a]HH)(CC[6]O)	108.7398	1.081	6	108.7692	3.682	38	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]HH)(CC[6a]O)	108.7282	1.465	18	108.8536	3.528	92	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|C<4>}	O(CC[6a]HH)(CC[6a]O)	109.2360	0.698	3	108.8536	3.528	92	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CC[6a]O)	108.7985	1.985	58	108.8536	3.528	92	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|O<2>}	O(CC[6a]HH)(CC[6a]O)	109.1850	2.173	13	108.8536	3.528	92	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(CNO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CNO)	109.5352	2.304	209	109.5352	5.307	209	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(CNS)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CNS)	107.1350	0.952	2	107.1350	0.906	2	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(CN[3]O)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CN[3]O)	110.7967	0.452	3	110.7967	0.204	3	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(CN[4]O)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CN[4]O)	111.1400	0.472	3	111.1400	0.223	3	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(CN[5,5]O)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CN[5,5]O)	108.1940	0.000	1	108.1940	0.000	1	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(CN[5,6]O)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CN[5,6]O)	108.6190	2.820	5	108.6190	7.950	5	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(CN[5]O)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CN[5]O)	109.0167	1.979	57	109.0167	3.916	57	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(CN[5a]O)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CN[5a]O)	107.5018	1.469	6	107.5018	2.157	6	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(CN[6,6]O)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CN[6,6]O)	109.2585	2.467	8	109.2585	6.086	8	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(CN[6]O)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CN[6]O)	109.6516	2.178	32	109.6516	4.743	32	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(COO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]HH)(COO)	108.3870	2.770	2	108.7817	4.112	20	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(COO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(COO)	108.8256	2.031	18	108.7817	4.112	20	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(CSS)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CSS)	108.5680	0.000	1	107.1660	3.931	2	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(CSS)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|N<2>,2|H<1>}	O(CC[6a]HH)(CSS)	105.7640	0.000	1	107.1660	3.931	2	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHHO){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	O(CC[6a]HH)(CCO)	109.0530	0.000	1	109.0530	0.000	1	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CHHO){1|H<1>,1|N<2>,2|C<3>}	O(CC[6a]HH)(CC[6a]O)	109.2055	1.092	2	109.2055	1.194	2	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(CNN)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CNN)	114.4640	0.000	1	114.4640	0.000	1	109.1770	4.449	902	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	N[5a,6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]N[5a,6a]C[6a])(OC)(H)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CHHO)	O(CC[6a]HH)(CCO)	C(C[6a]N[5a,6a]C[6a])(OC)(H)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CHHO){4|C<3>}	O(CC[6a]HH)(CCO)	105.3690	0.000	1	105.3690	0.000	1	105.3690	0.000	1	109.1644	4.441	916	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:2:1:	3:2:4:	3:4:	C[6a]-3:O-2:O-2:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]N[6a])(OC[6a])2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHOO)	O(C[6a]C[6a]2)(CC[6a]HO)	C(C[6a]C[6a]N[6a])(OC[6a])2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHOO){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]HO)	107.4715	1.478	4	107.4715	2.185	4	107.4715	2.185	4	107.4715	2.185	4	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:2:1:	3:3:4:	3:4:	C[6a]-3:O-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHOO)	O(C[6a]C[6a]2)(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6a])(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHOO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]HO)	110.3130	0.000	1	110.3130	0.000	1	110.9696	20.654	5	110.9696	20.654	5	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:2:1:	3:3:4:	3:4:	C[6a]-3:O-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(OC)(H)	C[6a](C[6a]C[6a]H)2(CHOO)	O(C[6a]C[6a]2)(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6a])(OC)(H)	C[6a](C[6a]C[6a]H)2(CHOO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]HO)	106.6335	0.837	2	106.6335	0.700	2	110.9696	20.654	5	110.9696	20.654	5	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:2:1:	3:3:4:	3:4:	C[6a]-3:O-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHOO)	O(C[6a]C[6a]2)(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6a])2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHOO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]HO)	115.6340	0.607	2	115.6340	0.368	2	110.9696	20.654	5	110.9696	20.654	5	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:2:1:	3:3:4:	4:3:	C[6a]-3:C-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CC)(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHO)	O(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(CC)(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CC[6a]O)	111.8490	0.000	1	111.8490	0.000	1	108.2941	3.142	9	109.0305	3.931	22	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:2:1:	3:3:4:	4:3:	C[6a]-3:C-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CC)(OC)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[5,6a]H)(CCHO)	O(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(CC)(OC)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[5,6a]H)(CCHO){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O(CC[6a]CH)(CC[6a]O)	105.7290	0.000	1	105.7290	0.000	1	108.2941	3.142	9	109.0305	3.931	22	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:2:1:	3:3:4:	4:3:	C[6a]-3:C-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CC)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CNO)	C(C[6a]C[6a]2)(CC)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CNO)	107.3110	0.000	1	107.3110	0.000	1	108.2941	3.142	9	109.0305	3.931	22	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:2:1:	3:3:4:	4:3:	C[6a]-3:C-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CN)(OC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(CN)(OC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHO){1|H<1>,2|C<3>}	O(CC[6a]CH)(CCO)	107.2050	0.000	1	107.2050	0.000	1	108.2941	3.142	9	109.0305	3.931	22	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:2:1:	3:3:4:	4:3:	C[6a]-3:C-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CN)(OC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(CC[3]O)	C(C[6a]C[6a]2)(CN)(OC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHO){1|H<1>,2|C<3>}	O(CC[6a]CH)(CC[3]O)	108.4535	0.043	2	108.4535	0.002	2	108.2941	3.142	9	109.0305	3.931	22	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:2:1:	3:3:4:	4:3:	C[6a]-3:C-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CN)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CC[3]O)	C(C[6a]C[6a]2)(CN)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]CH)(CC[3]O)	108.5487	1.327	3	108.5487	1.761	3	108.2941	3.142	9	109.0305	3.931	22	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:2:1:	3:3:4:	4:3:	C[6a]-3:O-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHOO)	O(CC[6a]HO)(CCO)	C(C[6a]C[6a]2)(OC)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHOO){1|C<3>,2|H<1>}	O(CC[6a]HO)(CCO)	108.3945	1.537	2	108.3945	2.361	2	109.5403	4.096	13	109.0305	3.931	22	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:2:1:	3:3:4:	4:3:	C[6a]-3:O-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)2(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHOO)	O(CC[6a]HO)(CCO)	C(C[6a]C[6a]2)(OC)2(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHOO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]HO)(CCO)	108.0015	0.122	2	108.0015	0.015	2	109.5403	4.096	13	109.0305	3.931	22	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:2:1:	3:3:4:	4:3:	C[6a]-3:O-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)2(H)	C[6a](C[6a]C[6a]H)2(CHOO)	O(CC[6a]HO)(CCC)	C(C[6a]C[6a]2)(OC)2(H)	C[6a](C[6a]C[6a]H)2(CHOO){1|C<3>,2|H<1>}	O(CC[6a]HO)(CCC)	107.5440	0.000	1	107.5440	0.000	1	109.5403	4.096	13	109.0305	3.931	22	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:2:1:	3:3:4:	4:3:	C[6a]-3:O-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)2(H)	C[6a](C[6a]C[6a]H)2(CHOO)	O(CC[6a]HO)(CCH)	C(C[6a]C[6a]2)(OC)2(H)	C[6a](C[6a]C[6a]H)2(CHOO){1|C<3>,2|H<1>}	O(CC[6a]HO)(CCH)	111.8505	0.495	4	111.8505	0.245	4	109.5403	4.096	13	109.0305	3.931	22	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:2:1:	3:3:4:	4:3:	C[6a]-3:O-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)2(H)	C[6a](C[6a]C[6a]H)2(CHOO)	O(CC[6a]HO)(CCO)	C(C[6a]C[6a]2)(OC)2(H)	C[6a](C[6a]C[6a]H)2(CHOO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]HO)(CCO)	108.9350	3.424	2	109.0715	4.157	4	109.5403	4.096	13	109.0305	3.931	22	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:2:1:	3:3:4:	4:3:	C[6a]-3:O-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)2(H)	C[6a](C[6a]C[6a]H)2(CHOO)	O(CC[6a]HO)(CCO)	C(C[6a]C[6a]2)(OC)2(H)	C[6a](C[6a]C[6a]H)2(CHOO){1|C<3>,2|H<1>}	O(CC[6a]HO)(CCO)	109.2080	0.822	2	109.0715	4.157	4	109.5403	4.096	13	109.0305	3.931	22	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:3:1:	3:3:4:	3:4:	C[6a]-3:O-2:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(C[6a]C[6a]N[6a])(CC[6a]CH)	C(C[6a]C[6a]2)(OC[6a])(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])(CC[6a]CH)	113.6970	0.000	1	113.6970	0.000	1	110.3170	8.145	5	110.3170	8.145	5	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:3:1:	3:3:4:	3:4:	C[6a]-3:O-2:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(CNO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHO)	O(C[6a]C[6a]2)(CC[6a]CH)	C(C[6a]C[6a]2)(OC[6a])(CNO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]CH)	111.1080	0.000	1	111.1080	0.000	1	110.3170	8.145	5	110.3170	8.145	5	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:3:1:	3:3:4:	3:4:	C[6a]-3:O-2:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(CNO)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(C[6a]C[6a]2)(CC[6a]CH)	C(C[6a]C[6a]2)(OC[6a])(CNO)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]CH)	112.0600	0.000	1	112.0600	0.000	1	110.3170	8.145	5	110.3170	8.145	5	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:3:1:	3:3:4:	3:4:	C[6a]-3:O-2:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(COO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO)	O(C[6a]C[6a]2)(CC[6a]CH)	C(C[6a]C[6a]2)(OC[6a])(COO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]2)(CC[6a]CH)	107.3060	0.000	1	107.3060	0.000	1	110.3170	8.145	5	110.3170	8.145	5	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:3:1:	3:3:4:	3:4:	C[6a]-3:O-2:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(COO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHO)	O(C[6a]C[6a]N[6a])(CC[6a]CH)	C(C[6a]C[6a]2)(OC[6a])(COO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])(CC[6a]CH)	107.4140	0.000	1	107.4140	0.000	1	110.3170	8.145	5	110.3170	8.145	5	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:4:1:	3:3:4:	3:4:	C[6a]-3:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(CBr2F)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHO)	O(C[6a]C[6a]N[6a])(CC[6a]CH)	C(C[6a]C[6a]2)(OC[6a])(CBr2F)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHO){1|H<1>,2|C<3>}	O(C[6a]C[6a]N[6a])(CC[6a]CH)	111.7870	0.000	1	111.7870	0.000	1	110.3060	5.790	23	110.4833	6.293	24	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:4:1:	3:3:4:	3:4:	C[6a]-3:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(C[6a]C[6a]2)(CC[6a]CH)	C(C[6a]C[6a]2)(OC[6a])(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]CH)	112.2753	0.687	3	112.2753	0.473	3	110.3060	5.790	23	110.4833	6.293	24	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:4:1:	3:3:4:	3:4:	C[6a]-3:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(C[6a]C[6a]2)(CC[6a]CH)	C(C[6a]C[6a]2)(OC[6a])(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]CH)	105.4410	0.991	2	105.4410	0.983	2	110.3060	5.790	23	110.4833	6.293	24	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:4:1:	3:3:4:	3:4:	C[6a]-3:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(CFFI)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHO)	O(C[6a]C[6a]N[6a])(CC[6a]CH)	C(C[6a]C[6a]2)(OC[6a])(CFFI)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])(CC[6a]CH)	110.1310	0.000	1	110.1310	0.000	1	110.3060	5.790	23	110.4833	6.293	24	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:4:1:	3:3:4:	3:4:	C[6a]-3:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO)	O(C[6a]C[6a]2)(CC[6a]CH)	C(C[6a]C[6a]2)(OC[6a])(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]CH)	111.8320	0.000	1	111.4167	0.193	3	110.3060	5.790	23	110.4833	6.293	24	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:4:1:	3:3:4:	3:4:	C[6a]-3:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO)	O(C[6a]C[6a]2)(CC[6a]CH)	C(C[6a]C[6a]2)(OC[6a])(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]CH)	111.2090	0.356	2	111.4167	0.193	3	110.3060	5.790	23	110.4833	6.293	24	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:4:1:	3:3:4:	3:4:	C[6a]-3:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(CH3)(H)	C[6a](C[6a]C[6a]Cl)2(CCHO)	O(C[6a]C[6a]2)(CC[6a]CH)	C(C[6a]C[6a]2)(OC[6a])(CH3)(H)	C[6a](C[6a]C[6a]Cl)2(CCHO){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]C[6a]2)(CC[6a]CH)	113.1590	0.000	1	113.1590	0.000	1	110.3060	5.790	23	110.4833	6.293	24	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:4:1:	3:3:4:	3:4:	C[6a]-3:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(C[6a]C[6a]2)(CC[6a]CH)	C(C[6a]C[6a]2)(OC[6a])(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]CH)	113.1160	0.000	1	113.1160	0.000	1	110.3060	5.790	23	110.4833	6.293	24	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:4:1:	3:3:4:	3:4:	C[6a]-3:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(C[6a]N[6a]2)(CC[6a]CH)	C(C[6a]C[6a]2)(OC[6a])(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(C[6a]N[6a]2)(CC[6a]CH)	111.3817	0.423	6	111.3817	0.179	6	110.3060	5.790	23	110.4833	6.293	24	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:4:1:	3:3:4:	3:4:	C[6a]-3:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(CHHN)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHO)	O(C[6a]C[6a]2)(CC[6a]CH)	C(C[6a]C[6a]2)(OC[6a])(CHHN)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]CH)	106.6420	0.000	1	106.6420	0.000	1	110.3060	5.790	23	110.4833	6.293	24	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:4:1:	3:3:4:	3:4:	C[6a]-3:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(C[6a]C[6a]2)(CC[6a]CH)	C(C[6a]C[6a]2)(OC[6a])(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]CH)	107.9890	0.685	4	107.9890	0.469	4	110.3060	5.790	23	110.4833	6.293	24	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:4:1:	3:3:4:	3:4:	C[6a]-3:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	Ge[6]-3:C-4:	C(C[6a]C[6a]2)(OGe[6])(CF3)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(Ge[6]N[6]2)(CC[6a]CH)	C(C[6a]C[6a]2)(OGe[6])(CF3)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(Ge[6]N[6]2)(CC[6a]CH)	114.5600	0.000	1	114.5600	0.000	1	114.5600	0.000	1	110.4833	6.293	24	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:4:2:	3:3:4:	3:4:	C[6a]-3:O-2:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(CCHH)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCOO)	O(C[6a]C[6a]2)(CC[6a]CO)	C(C[6a]C[6a]2)(OC[6a])(CCHH)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCOO){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]2)(CC[6a]CO)	106.8430	0.023	2	106.8430	0.001	2	106.8430	0.001	2	106.8430	0.001	2	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:2:4:3:	3:3:4:	3:4:	C[6a]-3:O-2:C-4:C-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(CCHH)(COO)	C[6a](C[6a]C[6a]H)2(CCCO)	O(C[6a]C[6a]2)(CC[6a]CC)	C(C[6a]C[6a]2)(OC[6a])(CCHH)(COO)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]CC)	112.5420	0.738	4	112.5420	0.544	4	112.5420	0.544	4	112.5420	0.544	4	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:3:2:1:	3:2:4:	4:3:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-3:	C(C[6a]C[6a]N[6a])(CC[6a]C)(OC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHO)	O(CC[6a]CH)(CNO)	C(C[6a]C[6a]N[6a])(CC[6a]C)(OC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CNO)	107.9990	0.799	2	107.9990	0.638	2	107.9990	0.638	2	107.9990	0.638	2	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:3:2:1:	3:3:4:	3:4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-3:C-4:	C(C[6a]C[6a]2)(CCH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[5,5,6]O)(CC[6a]CH)	C(C[6a]C[6a]2)(CCH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[5,5,6]O)(CC[6a]CH)	110.1830	0.000	1	110.1830	0.000	1	110.1830	0.000	1	108.5396	6.854	13	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:3:2:1:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-3:C-4:	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CC[6a]HO)	O(CC[5,5,6]O)(CC[6a]2H)	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CC[6a]HO){1|H<1>,2|C<3>}	O(CC[5,5,6]O)(CC[6a]2H)	105.6510	0.000	1	105.6510	0.000	1	107.3860	6.020	2	108.5396	6.854	13	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:3:2:1:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-3:C-4:	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	O(CC[5,5,6]O)(CC[6a]2H)	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	O(CC[5,5,6]O)(CC[6a]2H)	109.1210	0.000	1	109.1210	0.000	1	107.3860	6.020	2	108.5396	6.854	13	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:3:2:1:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C-4:	C(C[6a]C[6a]2)2(OC[6])(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	O(C[6]C[6]2)(CC[6a]2H)	C(C[6a]C[6a]2)2(OC[6])(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	O(C[6]C[6]2)(CC[6a]2H)	107.8893	3.465	4	107.8893	12.007	4	107.8893	12.007	4	108.5396	6.854	13	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:3:2:1:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)2(OC[6a])(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	O(C[6a]C[5a,6a]C[6a])(CC[6a]2H)	C(C[6a]C[6a]2)2(OC[6a])(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	O(C[6a]C[5a,6a]C[6a])(CC[6a]2H)	109.7060	3.909	2	109.7060	15.279	2	109.0838	6.275	6	108.5396	6.854	13	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:3:2:1:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)2(OC[6a])(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	O(C[6a]C[6a]2)(CC[6a]2H)	C(C[6a]C[6a]2)2(OC[6a])(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]2H)	108.7728	2.231	4	108.7728	4.978	4	109.0838	6.275	6	108.5396	6.854	13	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:3:2:1:	3:3:4:	4:2:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-2:	C(C[6a]C[6a]2)(CCH)(ON)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(NC)	C(C[6a]C[6a]2)(CCH)(ON)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(NC)	112.5320	0.000	1	112.5320	0.000	1	112.5320	0.000	1	112.5320	0.000	1	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:3:2:1:	3:3:4:	4:3:	C[5a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HO)	O(CC[5a]C[6a]H)(CCO)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HO){1|C<3>,2|H<1>}	O(CC[5a]C[6a]H)(CCO)	110.9315	0.078	2	110.9315	0.006	2	110.5317	0.483	3	108.3231	3.668	125	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:3:2:1:	3:3:4:	4:3:	C[5a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HO)	O(CC[5a]C[6a]H)(CCO)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HO){1|C<3>,2|H<1>}	O(CC[5a]C[6a]H)(CCO)	109.7320	0.000	1	109.7320	0.000	1	110.5317	0.483	3	108.3231	3.668	125	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:3:2:1:	3:3:4:	4:3:	C[6a]-3:B[5]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:B[5]-3:	C(C[6a]C[6a]2)(B[5]O[5]2)(OB[5])(H)	C[6a](C[6a]C[6a]C)2(CB[5]HO)	O(CC[6a]B[5]H)(B[5]O[5]2)	C(C[6a]C[6a]2)(B[5]O[5]2)(OB[5])(H)	C[6a](C[6a]C[6a]C)2(CB[5]HO){1|C<3>,2|H<1>}	O(CC[6a]B[5]H)(B[5]O[5]2)	109.7890	0.000	1	109.7890	0.000	1	109.7890	0.000	1	108.3231	3.668	125	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:3:2:1:	3:3:4:	4:3:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:B-3:	C(C[6a]C[6a]2)(CC[6a]C)(OB)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(BC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(OB)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(BC[6a]C)	108.9765	0.185	2	108.9765	0.034	2	108.9765	0.034	2	108.3231	3.668	125	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:3:2:1:	3:3:4:	4:3:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CCC)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CCC)	C(C[6a]C[6a]2)(CCC)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CCC)	114.1070	0.000	1	114.1070	0.000	1	108.2157	2.761	27	108.3231	3.668	125	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:3:2:1:	3:3:4:	4:3:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CCH)(OC)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(CCH)(OC)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHO){1|H<1>,4|C<3>}	O(CC[6a]CH)(CC[6a]O)	106.7420	0.000	1	106.7420	0.000	1	108.2157	2.761	27	108.3231	3.668	125	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:3:2:1:	3:3:4:	4:3:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CCH)(OC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(CCH)(OC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHO){1|H<1>,2|C<3>}	O(CC[6a]CH)(CC[6a]O)	106.1830	0.000	1	106.1830	0.000	1	108.2157	2.761	27	108.3231	3.668	125	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:3:2:1:	3:3:4:	4:3:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CCH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(CCH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CC[6a]O)	109.0350	0.000	1	109.0350	0.000	1	108.2157	2.761	27	108.3231	3.668	125	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:3:2:1:	3:3:4:	4:3:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CCH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CNO)	C(C[6a]C[6a]2)(CCH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CNO)	108.1923	0.392	3	108.1923	0.154	3	108.2157	2.761	27	108.3231	3.668	125	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:3:2:1:	3:3:4:	4:3:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CCH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(COO)	C(C[6a]C[6a]2)(CCH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|O<2>}	O(CC[6a]CH)(COO)	110.2280	0.000	1	110.2280	0.000	1	108.2157	2.761	27	108.3231	3.668	125	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:3:2:1:	3:3:4:	4:3:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CCO)(OC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(CCO)(OC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]CH)(CC[6a]O)	110.2850	0.000	1	110.2850	0.000	1	108.2157	2.761	27	108.3231	3.668	125	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:3:2:1:	3:3:4:	4:3:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CCO)(OC)(H)	C[6a](C[6a]C[6a]O)2(CCHO)	O(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(CCO)(OC)(H)	C[6a](C[6a]C[6a]O)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CCO)	107.8580	0.000	1	107.8580	0.000	1	108.2157	2.761	27	108.3231	3.668	125	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:3:2:1:	3:3:4:	4:3:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CC[6]H)(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(CC[6]H)(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO){1|C<3>,1|C<4>,1|O<2>}	O(CC[6a]CH)(CCO)	109.6140	0.000	1	109.6140	0.000	1	108.2157	2.761	27	108.3231	3.668	125	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:3:2:1:	3:3:4:	4:3:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CNO)(OC)(H)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]O[6a]O)(CCHO)	O(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(CNO)(OC)(H)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]O[6a]O)(CCHO){2|C<3>}	O(CC[6a]CH)(CCO)	110.6800	0.000	1	110.6800	0.000	1	108.2157	2.761	27	108.3231	3.668	125	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:3:2:1:	3:3:4:	4:3:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CNO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(CNO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]CH)(CCO)	106.8805	0.018	2	107.4297	0.905	3	108.2157	2.761	27	108.3231	3.668	125	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:3:2:1:	3:3:4:	4:3:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CNO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(CNO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CCO)	108.5280	0.000	1	107.4297	0.905	3	108.2157	2.761	27	108.3231	3.668	125	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:3:2:1:	3:3:4:	4:3:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CNO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CC[3x6]O)	C(C[6a]C[6a]2)(CNO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){2|Br<1>,1|C<3>}	O(CC[6a]CH)(CC[3x6]O)	107.5600	0.000	1	107.5600	0.000	1	108.2157	2.761	27	108.3231	3.668	125	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:3:2:1:	3:3:4:	4:3:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CNO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CC[6]O)	C(C[6a]C[6a]2)(CNO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){2|Br<1>,1|C<3>}	O(CC[6a]CH)(CC[6]O)	108.0540	0.000	1	108.0540	0.000	1	108.2157	2.761	27	108.3231	3.668	125	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:3:2:1:	3:3:4:	4:3:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CNO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(CNO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CC[6a]O)	106.8550	0.000	1	106.8550	0.000	1	108.2157	2.761	27	108.3231	3.668	125	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:3:2:1:	3:3:4:	4:3:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(COO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(COO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CCO)	107.4573	0.625	8	107.4573	0.390	8	108.2157	2.761	27	108.3231	3.668	125	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:3:2:1:	3:3:4:	4:3:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(COO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CC[5a]O)	C(C[6a]C[6a]2)(COO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CC[5a]O)	108.0990	0.000	1	108.0990	0.000	1	108.2157	2.761	27	108.3231	3.668	125	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:3:2:1:	3:3:4:	4:3:	C[6a]-3:C[5]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]HO)	O(CC[6a]C[5]H)(CCO)	C(C[6a]C[6a]2)(C[5]C[5]2)(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]HO){1|C<3>,1|F<1>,1|H<1>}	O(CC[6a]C[5]H)(CCO)	110.9880	0.000	1	110.9880	0.000	1	110.9880	0.000	1	108.3231	3.668	125	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:3:2:1:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a,6a]C[6a])2(OC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HO)	O(CC[6a]2H)(CCO)	C(C[6a]C[6a,6a]C[6a])2(OC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HO){2|H<1>,3|C<3>}	O(CC[6a]2H)(CCO)	108.0770	3.215	6	108.0770	10.336	6	108.0770	10.336	6	108.3231	3.668	125	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:3:2:1:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:B-3:	C(C[6a]C[6a]2)2(OB)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	O(CC[6a]2H)(BCC)	C(C[6a]C[6a]2)2(OB)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	O(CC[6a]2H)(BCC)	108.3260	2.297	2	108.3260	5.275	2	108.3260	5.275	2	108.3231	3.668	125	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:3:2:1:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CC[6a]HO)	O(CC[6a]2H)(CC[6a]O)	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CC[6a]HO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]2H)(CC[6a]O)	108.0850	0.000	1	108.0850	0.000	1	108.1340	3.520	76	108.3231	3.668	125	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:3:2:1:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]HO)	O(CC[6a]2H)(CC[6a]O)	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]HO){1|H<1>,2|C<3>}	O(CC[6a]2H)(CC[6a]O)	108.9150	0.000	1	108.9150	0.000	1	108.1340	3.520	76	108.3231	3.668	125	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:3:2:1:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HO)	O(CC[6a]2H)(CCO)	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]2H)(CCO)	108.1555	0.385	4	108.1555	0.148	4	108.1340	3.520	76	108.3231	3.668	125	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:3:2:1:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HO)	O(CC[6a]2H)(CC[6a]O)	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]2H)(CC[6a]O)	104.8930	0.000	1	104.8930	0.000	1	108.1340	3.520	76	108.3231	3.668	125	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:3:2:1:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]HO)	O(CC[6a]2H)(CC[6a]O)	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]HO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]2H)(CC[6a]O)	105.7595	0.592	2	105.7595	0.350	2	108.1340	3.520	76	108.3231	3.668	125	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:3:2:1:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6a]HO)	O(CC[6a]2H)(CC[6a]O)	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6a]HO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]2H)(CC[6a]O)	106.6010	0.000	1	105.9190	0.930	2	108.1340	3.520	76	108.3231	3.668	125	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:3:2:1:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6a]HO)	O(CC[6a]2H)(CC[6a]O)	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6a]HO){1|C<3>,1|F<1>,1|H<1>}	O(CC[6a]2H)(CC[6a]O)	105.2370	0.000	1	105.9190	0.930	2	108.1340	3.520	76	108.3231	3.668	125	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:3:2:1:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]HO)	O(CC[6a]2H)(CC[6a]O)	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]HO){2|C<3>}	O(CC[6a]2H)(CC[6a]O)	107.0270	0.000	1	107.0270	0.000	1	108.1340	3.520	76	108.3231	3.668	125	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:3:2:1:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	O(CC[6a]2H)(CCC)	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	O(CC[6a]2H)(CCC)	107.4795	3.286	2	107.4795	10.797	2	108.1340	3.520	76	108.3231	3.668	125	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:3:2:1:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	O(CC[6a]2H)(CCH)	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	O(CC[6a]2H)(CCH)	107.9320	0.750	2	107.9320	0.562	2	108.1340	3.520	76	108.3231	3.668	125	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:3:2:1:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	O(CC[6a]2H)(CCO)	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	O(CC[6a]2H)(CCO)	107.8569	1.284	8	107.8569	1.650	8	108.1340	3.520	76	108.3231	3.668	125	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:3:2:1:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	O(CC[6a]2H)(CC[4]O)	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	O(CC[6a]2H)(CC[4]O)	107.9980	3.997	2	107.9980	15.973	2	108.1340	3.520	76	108.3231	3.668	125	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:3:2:1:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	O(CC[6a]2H)(CC[5]O)	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	O(CC[6a]2H)(CC[5]O)	108.3026	1.750	24	108.3026	3.062	24	108.1340	3.520	76	108.3231	3.668	125	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:3:2:1:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	O(CC[6a]2H)(CC[6]O)	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	O(CC[6a]2H)(CC[6]O)	107.7290	2.262	6	108.0299	4.639	8	108.1340	3.520	76	108.3231	3.668	125	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:3:2:1:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	O(CC[6a]2H)(CC[6]O)	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]2H)(CC[6]O)	108.9325	2.172	2	108.0299	4.639	8	108.1340	3.520	76	108.3231	3.668	125	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:3:2:1:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	O(CC[6a]2H)(CC[6a]O)	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,1|F<1>,1|H<1>}	O(CC[6a]2H)(CC[6a]O)	109.8360	0.000	1	108.8951	4.368	18	108.1340	3.520	76	108.3231	3.668	125	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:3:2:1:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	O(CC[6a]2H)(CC[6a]O)	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]2H)(CC[6a]O)	109.5040	0.000	1	108.8951	4.368	18	108.1340	3.520	76	108.3231	3.668	125	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:3:2:1:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	O(CC[6a]2H)(CC[6a]O)	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|F<1>}	O(CC[6a]2H)(CC[6a]O)	105.6030	1.264	2	108.8951	4.368	18	108.1340	3.520	76	108.3231	3.668	125	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:3:2:1:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	O(CC[6a]2H)(CC[6a]O)	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	O(CC[6a]2H)(CC[6a]O)	109.3278	1.978	13	108.8951	4.368	18	108.1340	3.520	76	108.3231	3.668	125	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:3:2:1:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	O(CC[6a]2H)(CC[6a]O)	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]2H)(CC[6a]O)	108.3040	0.000	1	108.8951	4.368	18	108.1340	3.520	76	108.3231	3.668	125	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:3:2:1:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:Si-3:	C(C[6a]C[6a]2)2(OSi)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	O(CC[6a]2H)(SiRuC)	C(C[6a]C[6a]2)2(OSi)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	O(CC[6a]2H)(SiRuC)	110.7815	1.314	4	110.7815	1.727	4	110.7815	1.727	4	108.3231	3.668	125	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:3:2:1:	3:3:4:	4:3:	C[6a]-3:N-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(NCH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CHNO)	O(CC[6a]HN)(CCH)	C(C[6a]C[6a]2)(NCH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CHNO){1|C<3>,2|H<1>}	O(CC[6a]HN)(CCH)	107.1510	0.000	1	107.1510	0.000	1	107.1510	0.000	1	108.3231	3.668	125	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:3:2:1:	3:3:4:	4:3:	N[5]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[6a]-3:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(OC[6a])(H)	C[6a](C[6a]C[6a]H)2(CN[5]HO)	O(CC[6a]N[5]H)(C[6a]C[6a]2)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(OC[6a])(H)	C[6a](C[6a]C[6a]H)2(CN[5]HO){1|C<3>,2|H<1>}	O(CC[6a]N[5]H)(C[6a]C[6a]2)	107.6640	0.000	1	107.6640	0.000	1	107.6640	0.000	1	108.3231	3.668	125	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:3:2:1:	3:3:4:	4:3:	N[5a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]HO)	O(CC[6a]N[5a]H)(CCO)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]HO){1|C<3>,2|H<1>}	O(CC[6a]N[5a]H)(CCO)	106.9930	0.000	1	106.9930	0.000	1	106.9930	0.000	1	108.3231	3.668	125	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:3:2:3:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:P-3:	C[6a]-3:C[6a]-3:C-4:	B[5]-3:C-4:	C(C[6a]C[6a]2)2(OB[5])(PCC)	C[6a](C[6a]C[6a]H)2(CC[6a]OP)	O(B[5]C[5,6a]2)(CC[6a]2P)	C(C[6a]C[6a]2)2(OB[5])(PCC)	C[6a](C[6a]C[6a]H)2(CC[6a]OP){1|C<3>,2|H<1>}	O(B[5]C[5,6a]2)(CC[6a]2P)	110.3045	0.694	2	110.3045	0.481	2	110.3045	0.481	2	110.3045	0.481	2	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)3(OC[6a])	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	O(C[6a]C[6a]2)(CC[6a]3)	C(C[6a]C[6a]2)3(OC[6a])	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]3)	107.7643	3.796	3	107.7643	14.410	3	107.7643	14.410	3	107.5100	9.866	4	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:3:3:2:	3:3:4:	3:4:	C[6a]-3:P-3:P-3:O-2:	C[6a]-3:C[6a]-3:C-4:	B[5a]-3:C-4:	C(C[6a]C[6a]2)(PC[6a]2)2(OB[5a])	C[6a](C[6a]C[6a]H)2(COPP)	O(B[5a]O[5a]2)(CC[6a]PP)	C(C[6a]C[6a]2)(PC[6a]2)2(OB[5a])	C[6a](C[6a]C[6a]H)2(COPP){1|C<3>,2|H<1>}	O(B[5a]O[5a]2)(CC[6a]PP)	106.7470	0.000	1	106.7470	0.000	1	106.7470	0.000	1	107.5100	9.866	4	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:3:3:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:N-2:	C(C[6a]C[6a]2)3(ON)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	O(CC[6a]3)(NC[5])	C(C[6a]C[6a]2)3(ON)	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,2|H<1>}	O(CC[6a]3)(NC[5])	105.7730	2.526	3	105.7730	6.378	3	106.2662	8.411	9	106.2662	8.411	9	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:3:3:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:N-2:	C(C[6a]C[6a]2)3(ON)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	O(CC[6a]3)(NN)	C(C[6a]C[6a]2)3(ON)	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,2|H<1>}	O(CC[6a]3)(NN)	106.5128	3.269	6	106.5128	10.687	6	106.2662	8.411	9	106.2662	8.411	9	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:3:3:2:	3:3:4:	4:3:	C[5a]-3:C[5a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]H)2(CC[5a]2O)	O(CC[5a]2C[6a])(CC[6a]O)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]H)2(CC[5a]2O){1|C<3>,2|H<1>}	O(CC[5a]2C[6a])(CC[6a]O)	111.4110	0.581	3	111.4110	0.337	3	111.4110	0.337	3	108.0359	13.131	21	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:B-3:	C(C[6a]C[6a]2)2(CCC)(OB)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	O(CC[6a]2C)(BC[6a]C)	C(C[6a]C[6a]2)2(CCC)(OB)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	O(CC[6a]2C)(BC[6a]C)	107.5857	4.234	4	107.5857	17.928	4	107.5082	16.345	6	108.0359	13.131	21	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:B-3:	C(C[6a]C[6a]2)2(CC[6a]C)(OB)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	O(CC[6a]2C)(BC[6a]C)	C(C[6a]C[6a]2)2(CC[6a]C)(OB)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	O(CC[6a]2C)(BC[6a]C)	107.3530	5.279	2	107.3530	27.871	2	107.5082	16.345	6	108.0359	13.131	21	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	O(CC[6a]3)(CCO)	C(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,2|H<1>}	O(CC[6a]3)(CCO)	105.7533	3.453	6	107.5051	14.435	9	107.4559	12.758	12	108.0359	13.131	21	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	O(CC[6a]3)(CCO)	C(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|N<2>,2|H<1>}	O(CC[6a]3)(CCO)	111.0087	0.551	3	107.5051	14.435	9	107.4559	12.758	12	108.0359	13.131	21	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	O(CC[6a]3)(CC[6a]O)	C(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,2|H<1>}	O(CC[6a]3)(CC[6a]O)	107.3083	3.519	3	107.3083	12.386	3	107.4559	12.758	12	108.0359	13.131	21	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:3:3:2:	4:3:3:	3:4:	N[5a]-3:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C[5a]-3:C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)2(OC[5a])	C[6a](CC[6a]N[5a]O)(C[6a]C[6a]H)2	O(C[5a]C[5a]N[5a])(CC[6a]2N[5a])	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)2(OC[5a])	C[6a](CC[6a]N[5a]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	O(C[5a]C[5a]N[5a])(CC[6a]2N[5a])	107.9377	2.547	4	107.9377	6.486	4	107.9377	6.486	4	107.9377	6.486	4	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:3:4:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:Ge-3:	C(C[6a]C[6a]2)2(CHHN)(OGe)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	O(CC[6a]2C)(GePdO)	C(C[6a]C[6a]2)2(CHHN)(OGe)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	O(CC[6a]2C)(GePdO)	109.5845	1.841	2	109.5845	3.388	2	109.5845	3.388	2	109.5845	3.388	2	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:2:4:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a,6a]-3:N[6a]-2:C-4:	C-4:C-3:	C(C[6a]C[6a,6a]N[6a])(CC3)(OC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CCHO)	O(CC[6a]CH)(COO)	C(C[6a]C[6a,6a]N[6a])(CC3)(OC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CCHO){2|H<1>,3|C<3>}	O(CC[6a]CH)(COO)	108.7260	0.000	1	108.7260	0.000	1	108.7260	0.000	1	109.0197	3.861	7	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:2:4:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-3:	C(C[6a]C[6a]N[6a])(CCFH)(OC)(H)	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(CCHO)	O(CC[6a]CH)(CCO)	C(C[6a]C[6a]N[6a])(CCFH)(OC)(H)	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CCO)	105.2500	0.000	1	105.2500	0.000	1	107.6480	4.742	3	109.0197	3.861	7	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:2:4:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-3:	C(C[6a]C[6a]N[6a])(CCHO)(OC)(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCHO)	O(CC[6a]CH)(CCO)	C(C[6a]C[6a]N[6a])(CCHO)(OC)(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCHO){1|C<3>,1|H<1>}	O(CC[6a]CH)(CCO)	108.8470	0.926	2	108.8470	0.858	2	107.6480	4.742	3	109.0197	3.861	7	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:2:4:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:O[6a]-2:C-4:	C-4:C-3:	C(C[6a]C[6a]O[6a])(CH3)(OC)(H)	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CCHO)	O(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]O[6a])(CH3)(OC)(H)	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CCHO){1|C<3>,1|H<1>,1|O<1>}	O(CC[6a]CH)(CC[6a]O)	110.9845	0.060	2	110.9845	0.004	2	110.9845	0.004	2	109.0197	3.861	7	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:2:4:	4:3:	C[6a]-3:C-4:O-2:H-1:	N[6a]-3:N[6a]-2:C-4:	C-4:C-3:	C(C[6a]N[6a]2)(CCCH)(OC)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a,6a])(CCHO)	O(CC[6a]CH)(CCO)	C(C[6a]N[6a]2)(CCCH)(OC)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a,6a])(CCHO){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	O(CC[6a]CH)(CCO)	109.4990	0.000	1	109.4990	0.000	1	109.4990	0.000	1	109.0197	3.861	7	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	3:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	B[5]-3:C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(OB[5])(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(B[5]O[5]2)(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(OB[5])(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(B[5]O[5]2)(CC[6a]CH)	109.9795	0.342	2	109.9795	0.117	2	109.8763	0.090	3	109.2839	3.741	15	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	3:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	B[5]-3:C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(OB[5])(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(B[5]O[5]2)(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HO)(OB[5])(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(B[5]O[5]2)(CC[6a]CH)	109.6700	0.000	1	109.6700	0.000	1	109.8763	0.090	3	109.2839	3.741	15	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	3:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-3:C-4:	C(C[6a]C[6a]2)(CH3)(OC)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CCHO)	O(CC[5,5,6]O)(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(OC)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CCHO){1|H<1>,2|C<3>}	O(CC[5,5,6]O)(CC[6a]CH)	106.9150	0.283	2	106.9150	0.080	2	106.9150	0.080	2	109.2839	3.741	15	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	3:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C-4:	C(C[6a]C[6a]2)(CBrHH)(OC[5])(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(C[5]C[5,6a]N[5])(CC[6a]CH)	C(C[6a]C[6a]2)(CBrHH)(OC[5])(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(C[5]C[5,6a]N[5])(CC[6a]CH)	111.1890	0.000	1	111.1890	0.000	1	111.1890	0.000	1	109.2839	3.741	15	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	3:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(CC[6a]FS)(OC[6a])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHO)	O(C[6a]C[6a]N[6a])(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]FS)(OC[6a])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHO){1|H<1>,2|C<3>}	O(C[6a]C[6a]N[6a])(CC[6a]CH)	111.2530	0.000	1	111.2530	0.000	1	109.4012	4.510	9	109.2839	3.741	15	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	3:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(OC[6a])(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(C[6a]C[6a]2)(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HO)(OC[6a])(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]CH)	110.2990	2.622	3	109.5587	3.959	7	109.4012	4.510	9	109.2839	3.741	15	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	3:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(OC[6a])(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(C[6a]C[6a]2)(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HO)(OC[6a])(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|N<2>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]CH)	109.0035	1.542	4	109.5587	3.959	7	109.4012	4.510	9	109.2839	3.741	15	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	3:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(CN[5]CH)(OC[6a])(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(C[6a]C[6a]2)(CC[6a]CH)	C(C[6a]C[6a]2)(CN[5]CH)(OC[6a])(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(CC[6a]CH)	106.4470	0.000	1	106.4470	0.000	1	109.4012	4.510	9	109.2839	3.741	15	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:O-2:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]HH)(OC)(F)	C[6a](C[6a]C[6a]H)2(CCFO)	O(CC[6a]CF)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]HH)(OC)(F)	C[6a](C[6a]C[6a]H)2(CCFO){1|C<3>,2|H<1>}	O(CC[6a]CF)(CC[6a]O)	112.2430	0.000	1	112.2430	0.000	1	112.2430	0.000	1	108.9126	5.249	135	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a,6a]C[6a])(CC[6a]HO)(OC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(CC[6a]HO)(OC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHO){1|O<1>,2|C<3>,2|O<2>}	O(CC[6a]CH)(CC[6a]O)	109.4520	0.000	1	109.4520	0.000	1	108.8628	1.029	4	108.9126	5.249	135	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a,6a]C[6a])(CH3)(OC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(CH3)(OC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHO){2|H<1>,3|C<3>}	O(CC[6a]CH)(CC[6a]O)	108.6663	1.146	3	108.6663	1.313	3	108.8628	1.029	4	108.9126	5.249	135	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CBr2C)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(CBr2C)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CCO)	111.0060	0.000	1	111.0060	0.000	1	108.6739	5.458	113	108.9126	5.249	135	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CBrCH)(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(CBrCH)(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CC[6a]O)	107.1640	0.000	1	107.1640	0.000	1	108.6739	5.458	113	108.9126	5.249	135	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CC3)(OC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(CC3)(OC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHO){1|H<1>,2|C<3>}	O(CC[6a]CH)(CC[6a]O)	106.6970	0.000	1	106.6970	0.000	1	108.6739	5.458	113	108.9126	5.249	135	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CC3)(OC)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(CC3)(OC)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]CH)(CCO)	109.4225	0.152	2	109.4225	0.023	2	108.6739	5.458	113	108.9126	5.249	135	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CC3)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(CC3)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CC[6a]O)	108.3850	0.000	1	108.3850	0.000	1	108.6739	5.458	113	108.9126	5.249	135	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(CCHO)	O(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(CCHO){2|O<2>,3|C<3>}	O(CC[6a]CH)(CCO)	112.6675	0.780	2	112.6675	0.608	2	108.6739	5.458	113	108.9126	5.249	135	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CCO)	107.3816	2.083	9	107.3816	4.338	9	108.6739	5.458	113	108.9126	5.249	135	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(COO)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(COO)	110.7140	0.000	1	110.7140	0.000	1	108.6739	5.458	113	108.9126	5.249	135	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CCCO)(OC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(CCCO)(OC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHO){2|O<2>,3|C<3>}	O(CC[6a]CH)(CCO)	115.0010	0.651	2	115.0010	0.423	2	108.6739	5.458	113	108.9126	5.249	135	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CCCO)(OC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(CCCO)(OC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHO){2|O<2>,3|C<3>}	O(CC[6a]CH)(CC[6a]O)	113.0980	0.000	1	113.0980	0.000	1	108.6739	5.458	113	108.9126	5.249	135	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CCCO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(CCCO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CCO)	110.8730	0.000	1	110.8730	0.000	1	108.6739	5.458	113	108.9126	5.249	135	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CCCO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(CCCO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CC[6a]O)	107.9265	1.583	2	107.9265	2.507	2	108.6739	5.458	113	108.9126	5.249	135	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CCHH)(OC)(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(CCHH)(OC)(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CCHO){1|O<2>,2|C<3>}	O(CC[6a]CH)(CCO)	106.5470	0.000	1	106.5470	0.000	1	108.6739	5.458	113	108.9126	5.249	135	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CCHH)(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(CCHH)(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CC[6a]O)	108.3935	1.368	4	108.3935	1.871	4	108.6739	5.458	113	108.9126	5.249	135	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CCHH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(CCHH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CCO)	108.8707	1.532	6	108.8707	2.348	6	108.6739	5.458	113	108.9126	5.249	135	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CCHH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(CCHH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CC[6a]O)	107.0470	0.000	1	107.0470	0.000	1	108.6739	5.458	113	108.9126	5.249	135	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CCHH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(COO)	C(C[6a]C[6a]2)(CCHH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(COO)	108.4960	0.000	1	108.4960	0.000	1	108.6739	5.458	113	108.9126	5.249	135	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CCHI)(OC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(CCHI)(OC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHO){1|C<4>,1|H<1>,3|C<3>}	O(CC[6a]CH)(CC[6a]O)	107.6263	0.243	3	107.2047	0.276	6	108.6739	5.458	113	108.9126	5.249	135	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CCHI)(OC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(CCHI)(OC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHO){1|F<1>,1|H<1>,3|C<3>}	O(CC[6a]CH)(CC[6a]O)	106.4230	0.000	1	107.2047	0.276	6	108.6739	5.458	113	108.9126	5.249	135	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CCHI)(OC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(CCHI)(OC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHO){2|H<1>,3|C<3>}	O(CC[6a]CH)(CC[6a]O)	106.9630	0.055	2	107.2047	0.276	6	108.6739	5.458	113	108.9126	5.249	135	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CCHI)(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(CCHI)(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CCO)	108.9370	0.000	1	108.9370	0.000	1	108.6739	5.458	113	108.9126	5.249	135	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CCHN)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(CCHN)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CCO)	107.9818	1.802	5	107.9818	3.248	5	108.6739	5.458	113	108.9126	5.249	135	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CCHN)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CC[5,6]O)	C(C[6a]C[6a]2)(CCHN)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CC[5,6]O)	110.5785	0.641	2	110.5785	0.411	2	108.6739	5.458	113	108.9126	5.249	135	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CCHN)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(CCHN)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CC[6a]O)	109.3050	0.000	1	109.3050	0.000	1	108.6739	5.458	113	108.9126	5.249	135	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CCHN)(OC)(H)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(CCHO)	O(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(CCHN)(OC)(H)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(CCHO){1|C<3>,1|H<1>}	O(CC[6a]CH)(CCO)	109.7930	0.000	1	109.7930	0.000	1	108.6739	5.458	113	108.9126	5.249	135	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CCHO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(CCHO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CCO)	109.7700	3.016	3	109.7700	9.098	3	108.6739	5.458	113	108.9126	5.249	135	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CCHO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(CCHO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CC[6a]O)	108.6290	0.000	1	108.6290	0.000	1	108.6739	5.458	113	108.9126	5.249	135	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CC[6]CH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(COO)	C(C[6a]C[6a]2)(CC[6]CH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(COO)	110.1430	0.000	1	110.1430	0.000	1	108.6739	5.458	113	108.9126	5.249	135	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]2H)(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHO)	O(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(CC[6a]2H)(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CCO)	105.4370	0.000	1	105.4370	0.000	1	108.6739	5.458	113	108.9126	5.249	135	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]CH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(CC[6a]CH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CCO)	110.0297	1.829	3	110.0297	3.345	3	108.6739	5.458	113	108.9126	5.249	135	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]HN)(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHO)	O(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(CC[6a]HN)(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHO){1|Br<1>,1|C<3>,1|H<1>}	O(CC[6a]CH)(CCO)	110.1360	0.000	1	110.1360	0.000	1	108.6739	5.458	113	108.9126	5.249	135	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CCO)	107.0170	0.000	1	107.0170	0.000	1	108.6739	5.458	113	108.9126	5.249	135	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CC[3]O)	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CC[3]O)	108.0883	1.493	7	108.0883	2.229	7	108.6739	5.458	113	108.9126	5.249	135	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CC[6a]O)	109.2228	1.725	5	109.2228	2.977	5	108.6739	5.458	113	108.9126	5.249	135	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CCl2C)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(CCl2C)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CC[6a]O)	110.2870	0.731	2	110.2870	0.535	2	108.6739	5.458	113	108.9126	5.249	135	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CCl2N)(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHO)	O(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(CCl2N)(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CC[6a]O)	111.2260	0.000	1	111.2260	0.000	1	108.6739	5.458	113	108.9126	5.249	135	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CCl2N)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(CCl2N)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CC[6a]O)	111.6770	0.000	1	111.6770	0.000	1	108.6739	5.458	113	108.9126	5.249	135	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CCl3)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CNO)	C(C[6a]C[6a]2)(CCl3)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CNO)	110.8310	0.000	1	110.8310	0.000	1	108.6739	5.458	113	108.9126	5.249	135	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CClCF)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(CClCF)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CC[6a]O)	111.5130	0.000	1	111.5130	0.000	1	108.6739	5.458	113	108.9126	5.249	135	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CClCH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(CClCH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CC[6a]O)	112.2780	0.000	1	112.2780	0.000	1	108.6739	5.458	113	108.9126	5.249	135	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CClCH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CHO)	C(C[6a]C[6a]2)(CClCH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CHO)	109.5700	0.000	1	109.5700	0.000	1	108.6739	5.458	113	108.9126	5.249	135	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CF3)(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHO)	O(CC[6a]CH)(COO)	C(C[6a]C[6a]2)(CF3)(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(COO)	111.3845	1.634	2	111.3845	2.670	2	108.6739	5.458	113	108.9126	5.249	135	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CH3)(OC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(CC[5]O)	C(C[6a]C[6a]2)(CH3)(OC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHO){1|H<1>,2|C<3>}	O(CC[6a]CH)(CC[5]O)	109.6090	0.000	1	109.6090	0.000	1	108.6739	5.458	113	108.9126	5.249	135	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CH3)(OC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(CNO)	C(C[6a]C[6a]2)(CH3)(OC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHO){1|H<1>,2|C<3>}	O(CC[6a]CH)(CNO)	109.3580	0.000	1	109.3580	0.000	1	108.6739	5.458	113	108.9126	5.249	135	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CH3)(OC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(CH3)(OC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHO){2|H<1>,3|C<3>}	O(CC[6a]CH)(CCO)	105.5130	0.000	1	105.5130	0.000	1	108.6739	5.458	113	108.9126	5.249	135	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CH3)(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(CCH)	C(C[6a]C[6a]2)(CH3)(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]CH)(CCH)	108.5470	0.000	1	108.5470	0.000	1	108.6739	5.458	113	108.9126	5.249	135	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CH3)(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(CC[6]O)	C(C[6a]C[6a]2)(CH3)(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CC[6]O)	102.6337	0.717	4	102.6337	0.515	4	108.6739	5.458	113	108.9126	5.249	135	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CH3)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(CH3)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CCO)	108.7690	0.000	1	108.7690	0.000	1	108.6739	5.458	113	108.9126	5.249	135	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CH3)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CC[3]O)	C(C[6a]C[6a]2)(CH3)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CC[3]O)	106.6670	0.033	2	106.6670	0.001	2	108.6739	5.458	113	108.9126	5.249	135	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CH3)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(CH3)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CC[6a]O)	110.2560	0.000	1	110.2560	0.000	1	108.6739	5.458	113	108.9126	5.249	135	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CH3)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CN[5]O)	C(C[6a]C[6a]2)(CH3)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CN[5]O)	107.2960	0.000	1	107.2960	0.000	1	108.6739	5.458	113	108.9126	5.249	135	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CHHN)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CC[6a]C)	C(C[6a]C[6a]2)(CHHN)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CC[6a]C)	108.1890	0.000	1	108.1890	0.000	1	108.6739	5.458	113	108.9126	5.249	135	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CHHN)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(CHHN)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CC[6a]O)	109.9410	1.703	2	109.9410	2.899	2	108.6739	5.458	113	108.9126	5.249	135	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CHHO)(OC)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(CHHO)(OC)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CC[6a]O)	108.4920	0.000	1	108.4920	0.000	1	108.6739	5.458	113	108.9126	5.249	135	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CHHO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(CHHO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CCO)	105.9840	0.233	2	105.9840	0.054	2	108.6739	5.458	113	108.9126	5.249	135	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CHHO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CC[6a]C)	C(C[6a]C[6a]2)(CHHO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CC[6a]C)	108.6180	0.000	1	108.6180	0.000	1	108.6739	5.458	113	108.9126	5.249	135	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CHHO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(CHHO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CC[6a]O)	108.7256	0.467	5	108.7256	0.218	5	108.6739	5.458	113	108.9126	5.249	135	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CN[6]HH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(CN[6]HH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CC[6a]O)	108.3035	0.313	2	108.3035	0.098	2	108.6739	5.458	113	108.9126	5.249	135	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:Si-3:	C(C[6a]C[6a]2)(CCHN)(OSi)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(SiCC)	C(C[6a]C[6a]2)(CCHN)(OSi)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(SiCC)	110.7720	0.000	1	110.7720	0.000	1	110.7720	0.000	1	108.9126	5.249	135	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C[3]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(C[3]C[3]2C)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[3]HO)	O(CC[6a]C[3]H)(CCO)	C(C[6a]C[6a]2)(C[3]C[3]2C)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[3]HO){1|C<3>,2|H<1>}	O(CC[6a]C[3]H)(CCO)	109.9910	0.000	1	109.9910	0.000	1	109.9910	0.000	1	108.9126	5.249	135	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C[5]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2C)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	O(CC[6a]C[5]H)(CC[6a]O)	C(C[6a]C[6a]2)(C[5]C[5]2C)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO){1|C<3>,2|H<1>}	O(CC[6a]C[5]H)(CC[6a]O)	109.0720	1.148	2	109.0720	1.319	2	109.4580	2.443	8	108.9126	5.249	135	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C[5]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2C)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	O(CC[6a]C[5]H)(CNO)	C(C[6a]C[6a]2)(C[5]C[5]2C)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO){1|C<3>,2|H<1>}	O(CC[6a]C[5]H)(CNO)	109.5640	0.526	2	109.5640	0.277	2	109.4580	2.443	8	108.9126	5.249	135	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C[5]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2H)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	O(CC[6a]C[5]H)(CCO)	C(C[6a]C[6a]2)(C[5]C[5]2H)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO){1|C<3>,2|H<1>}	O(CC[6a]C[5]H)(CCO)	110.8640	0.000	1	110.8640	0.000	1	109.4580	2.443	8	108.9126	5.249	135	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C[5]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2H)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	O(CC[6a]C[5]H)(CNO)	C(C[6a]C[6a]2)(C[5]C[5]2H)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO){1|C<3>,2|H<1>}	O(CC[6a]C[5]H)(CNO)	107.7215	0.528	2	107.7215	0.279	2	109.4580	2.443	8	108.9126	5.249	135	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C[5]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(C[5]S[5]2F)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	O(CC[6a]C[5]H)(CC[6a]O)	C(C[6a]C[6a]2)(C[5]S[5]2F)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]C[5]H)(CC[6a]O)	112.0850	0.000	1	112.0850	0.000	1	109.4580	2.443	8	108.9126	5.249	135	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C[6]-4:O-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(OC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6]HO)	O(CC[6a]C[6]H)(CCO)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(OC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6]HO){1|N<2>,2|C<3>,2|H<1>}	O(CC[6a]C[6]H)(CCO)	110.7220	0.000	1	110.7220	0.000	1	110.7220	0.000	1	108.9126	5.249	135	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C[6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2H)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	O(CC[6a]C[6]H)(CC[6a]O)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	O(CC[6a]C[6]H)(CC[6a]O)	110.0490	1.031	2	110.0490	1.063	2	110.0490	1.063	2	108.9126	5.249	135	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:P-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(PO3)(OC)(H)	C[6a](C[6a]C[6a]H)2(CHOP)	O(CC[6a]HP)(CC[5a]O)	C(C[6a]C[6a]2)(PO3)(OC)(H)	C[6a](C[6a]C[6a]H)2(CHOP){1|C<3>,2|H<1>}	O(CC[6a]HP)(CC[5a]O)	112.9890	0.000	1	112.9890	0.000	1	112.0323	0.824	3	108.9126	5.249	135	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:P-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(PO3)(OC)(H)	C[6a](C[6a]C[6a]H)2(CHOP)	O(CC[6a]HP)(CC[6a]O)	C(C[6a]C[6a]2)(PO3)(OC)(H)	C[6a](C[6a]C[6a]H)2(CHOP){1|C<3>,2|H<1>}	O(CC[6a]HP)(CC[6a]O)	111.5540	0.525	2	111.5540	0.275	2	112.0323	0.824	3	108.9126	5.249	135	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:P[6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(P[6]O[6]2O)(OC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CP[6]HO)	O(CC[6a]P[6]H)(CCO)	C(C[6a]C[6a]2)(P[6]O[6]2O)(OC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CP[6]HO){1|C<3>,2|H<1>}	O(CC[6a]P[6]H)(CCO)	112.0130	0.000	1	112.0130	0.000	1	112.0130	0.000	1	108.9126	5.249	135	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:2:	3:3:4:	4:3:	C[6a]-3:C-4:C-2:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CCHN)(CC)(OC)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(CCO)	C(C[6a]C[6a]2)(CCHN)(CC)(OC)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(CCO)	111.5810	0.000	1	111.5810	0.000	1	111.9025	0.322	4	110.6321	8.327	7	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:2:	3:3:4:	4:3:	C[6a]-3:C-4:C-2:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CCHN)(CC)(OC)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(CC[3]O)	C(C[6a]C[6a]2)(CCHN)(CC)(OC)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(CC[3]O)	111.4210	0.000	1	111.4210	0.000	1	111.9025	0.322	4	110.6321	8.327	7	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:2:	3:3:4:	4:3:	C[6a]-3:C-4:C-2:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CCHN)(CC)(OC)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(CC[6a]O)	C(C[6a]C[6a]2)(CCHN)(CC)(OC)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(CC[6a]O)	111.9120	0.000	1	111.9120	0.000	1	111.9025	0.322	4	110.6321	8.327	7	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:2:	3:3:4:	4:3:	C[6a]-3:C-4:C-2:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CH3)(CC)(OC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCCO)	O(CC[6a]CC)(CC[6a]O)	C(C[6a]C[6a]2)(CH3)(CC)(OC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(CC[6a]O)	112.6960	0.000	1	112.6960	0.000	1	111.9025	0.322	4	110.6321	8.327	7	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:2:	3:3:4:	4:3:	C[6a]-3:C-4:O-2:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]HN)(OC)2	C[6a](C[6a]C[6a]H)2(CCOO)	O(CC[6a]CO)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]HN)(OC)2	C[6a](C[6a]C[6a]H)2(CCOO){1|C<3>,2|H<1>}	O(CC[6a]CO)(CC[6a]C)	106.1070	0.000	1	106.1070	0.000	1	108.9383	16.968	3	110.6321	8.327	7	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:2:2:	3:3:4:	4:3:	C[6a]-3:C-4:O-2:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CHHN)(OC)2	C[6a](C[6a]C[6a]H)2(CCOO)	O(CC[6a]CO)(CC[6a]C)	C(C[6a]C[6a]2)(CHHN)(OC)2	C[6a](C[6a]C[6a]H)2(CCOO){1|C<3>,2|H<1>}	O(CC[6a]CO)(CC[6a]C)	110.3540	4.681	2	110.3540	21.912	2	108.9383	16.968	3	110.6321	8.327	7	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:3:2:	3:3:4:	4:3:	C[6a]-3:C-4:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CF3)(CNO)(OC)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(CHH)	C(C[6a]C[6a]2)(CF3)(CNO)(OC)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(CHH)	107.0340	0.000	1	107.0340	0.000	1	106.2355	1.275	2	106.2355	1.275	2	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:3:2:	3:3:4:	4:3:	C[6a]-3:C-4:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CH3)(CHO)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCCO)	O(CC[6a]CC)(CC[6a]O)	C(C[6a]C[6a]2)(CH3)(CHO)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCCO){1|H<1>,2|C<3>}	O(CC[6a]CC)(CC[6a]O)	105.4370	0.000	1	105.4370	0.000	1	106.2355	1.275	2	106.2355	1.275	2	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:4:2:	3:3:4:	3:4:	C[6a]-3:P-4:P-4:O-2:	C[6a]-3:C[6a]-3:C-4:	B[5]-3:C-4:	C(C[6a]C[6a]2)(PC[6a]2Rh)2(OB[5])	C[6a](C[6a]C[6a]H)2(COPP)	O(B[5]O[5]2)(CC[6a]PP)	C(C[6a]C[6a]2)(PC[6a]2Rh)2(OB[5])	C[6a](C[6a]C[6a]H)2(COPP){1|C<3>,2|H<1>}	O(B[5]O[5]2)(CC[6a]PP)	112.4790	0.000	1	112.4790	0.000	1	112.4790	0.000	1	112.4790	0.000	1	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:4:2:	3:3:4:	4:3:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CBrHH)(CCHH)(OC)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(CC[6a]O)	C(C[6a]C[6a]2)(CBrHH)(CCHH)(OC)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(CC[6a]O)	105.7960	0.000	1	105.7960	0.000	1	109.7230	2.552	11	109.7230	2.552	11	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:4:2:	3:3:4:	4:3:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CC3)(CH3)(OC)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(CC[6a]O)	C(C[6a]C[6a]2)(CC3)(CH3)(OC)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(CC[6a]O)	109.2800	0.000	1	109.2800	0.000	1	109.7230	2.552	11	109.7230	2.552	11	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:4:2:	3:3:4:	4:3:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CCCH)(CH3)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCCO)	O(CC[6a]CC)(CC[6a]O)	C(C[6a]C[6a]2)(CCCH)(CH3)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCCO){1|H<1>,2|C<3>}	O(CC[6a]CC)(CC[6a]O)	109.6820	0.000	1	109.6820	0.000	1	109.7230	2.552	11	109.7230	2.552	11	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:4:2:	3:3:4:	4:3:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CCCH)(CH3)(OC)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(CC[6a]O)	C(C[6a]C[6a]2)(CCCH)(CH3)(OC)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(CC[6a]O)	110.2210	0.000	1	110.2210	0.000	1	109.7230	2.552	11	109.7230	2.552	11	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:4:2:	3:3:4:	4:3:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CCHH)(CH3)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCCO)	O(CC[6a]CC)(CCO)	C(C[6a]C[6a]2)(CCHH)(CH3)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCCO){1|H<1>,2|C<3>}	O(CC[6a]CC)(CCO)	110.5890	0.000	1	110.5890	0.000	1	109.7230	2.552	11	109.7230	2.552	11	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:4:2:	3:3:4:	4:3:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CCHH)(CH3)(OC)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(CNO)	C(C[6a]C[6a]2)(CCHH)(CH3)(OC)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(CNO)	110.2610	1.994	2	110.2610	3.976	2	109.7230	2.552	11	109.7230	2.552	11	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:4:2:	3:3:4:	4:3:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(OC)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(CCO)	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(OC)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(CCO)	111.3600	0.000	1	111.3600	0.000	1	109.7230	2.552	11	109.7230	2.552	11	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:4:2:	3:3:4:	4:3:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(OC)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(OC)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(CC[6a]O)	109.9680	0.000	1	109.9680	0.000	1	109.7230	2.552	11	109.7230	2.552	11	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:4:2:	3:3:4:	4:3:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CH3)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CCCO)	O(CC[6a]CC)(CCO)	C(C[6a]C[6a]2)(CH3)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(CCO)	108.8730	0.000	1	108.8730	0.000	1	109.7230	2.552	11	109.7230	2.552	11	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	3:4:4:2:	3:3:4:	4:3:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CH3)2(OC)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(CC[5]O)	C(C[6a]C[6a]2)(CH3)2(OC)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(CC[5]O)	110.6620	0.000	1	110.6620	0.000	1	109.7230	2.552	11	109.7230	2.552	11	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	4:3:2:1:	3:3:4:	4:3:	C[3]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[3]C[3]O[3]H)(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[3]HO)	O(CC[6a]C[3]H)(CC[5,5,6]O)	C(C[3]C[3]O[3]H)(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[3]HO){1|C<3>,2|H<1>}	O(CC[6a]C[3]H)(CC[5,5,6]O)	109.4990	0.000	1	109.4990	0.000	1	109.4990	0.000	1	109.4092	4.079	12	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	4:3:2:1:	3:3:4:	4:3:	C[5]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	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[6a](C[6a]C[6a]H)2(CC[5]HO){1|C<3>,2|H<1>}	O(CC[6a]C[5]H)(CC[6a]O)	108.0250	0.000	1	108.0250	0.000	1	109.2951	4.739	7	109.4092	4.079	12	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	4:3:2:1:	3:3:4:	4:3:	C[5]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	O(CC[6a]C[5]H)(COO)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO){1|C<3>,2|H<1>}	O(CC[6a]C[5]H)(COO)	111.6700	0.000	1	111.6700	0.000	1	109.2951	4.739	7	109.4092	4.079	12	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	4:3:2:1:	3:3:4:	4:3:	C[5]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[5]HO)	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[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[5]HO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]C[5]H)(CC[6a]O)	107.4300	0.000	1	107.4300	0.000	1	109.2951	4.739	7	109.4092	4.079	12	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	4:3:2:1:	3:3:4:	4:3:	C[5]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	O(CC[6a]C[5]H)(CCO)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO){1|C<3>,2|H<1>}	O(CC[6a]C[5]H)(CCO)	110.0070	1.628	2	110.0070	2.650	2	109.2951	4.739	7	109.4092	4.079	12	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	4:3:2:1:	3:3:4:	4:3:	C[5]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[5]HO)	O(CC[6a]C[5]H)(CCO)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[5]HO){1|H<1>,1|O<2>,3|C<3>}	O(CC[6a]C[5]H)(CCO)	106.3350	0.000	1	106.3350	0.000	1	109.2951	4.739	7	109.4092	4.079	12	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	4:3:2:1:	3:3:4:	4:3:	C[5]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[5]N[5]S[5]H)(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	O(CC[6a]C[5]H)(CCO)	C(C[5]N[5]S[5]H)(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO){1|C<3>,2|H<1>}	O(CC[6a]C[5]H)(CCO)	111.5920	0.000	1	111.5920	0.000	1	109.2951	4.739	7	109.4092	4.079	12	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	4:3:2:1:	3:3:4:	4:3:	C[6,6]-4:C[6a]-3:O-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6,6]HO)	O(CC[6,6]C[6a]H)(CC[6a]O)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6,6]HO){1|N<2>,2|C<3>,2|H<1>}	O(CC[6,6]C[6a]H)(CC[6a]O)	107.3170	0.000	1	107.3170	0.000	1	107.3170	0.000	1	109.4092	4.079	12	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	4:3:2:1:	3:3:4:	4:3:	C[6,6]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6,6]C[6,6]2H)(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6,6]HO)	O(CC[6,6]C[6a]H)(CC[6a]O)	C(C[6,6]C[6,6]2H)(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6,6]HO){1|C<3>,2|H<1>}	O(CC[6,6]C[6a]H)(CC[6a]O)	108.7920	0.000	1	108.7920	0.000	1	108.7920	0.000	1	109.4092	4.079	12	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	4:3:2:1:	3:3:4:	4:3:	C[6]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	O(CC[6a]C[6]H)(CC[6a]O)	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	O(CC[6a]C[6]H)(CC[6a]O)	109.4240	0.000	1	109.4240	0.000	1	109.4240	0.000	1	109.4092	4.079	12	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	4:3:2:1:	3:3:4:	4:3:	Ga[6]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:B-3:	C(Ga[6]C[6a]N[6]2)(C[6a]C[6a]2)(OB)(H)	C[6a](C[6a]C[6a]H)2(CGa[6]HO)	O(CC[6a]Ga[6]H)(BC[6a]2)	C(Ga[6]C[6a]N[6]2)(C[6a]C[6a]2)(OB)(H)	C[6a](C[6a]C[6a]H)2(CGa[6]HO){1|C<3>,2|H<1>}	O(CC[6a]Ga[6]H)(BC[6a]2)	112.8120	0.000	1	112.8120	0.000	1	112.8120	0.000	1	109.4092	4.079	12	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP2	C	C[6a]	O	6:3:2:1:	4:3:3:	4:3:	C[5x3,5x5,20x6]-6:C[6a]-3:O-2:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C-3:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]2)(OC)(H)	C[6a](CC[5x3,5x5,20x6]HO)(C[6a]C[6a]H)2	O(CC[5x3,5x5,20x6]C[6a]H)(CC[5,5,6]O)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]2)(OC)(H)	C[6a](CC[5x3,5x5,20x6]HO)(C[6a]C[6a]H)2{1|N<2>,2|H<1>}	O(CC[5x3,5x5,20x6]C[6a]H)(CC[5,5,6]O)	106.9710	0.000	1	106.9710	0.000	1	106.9710	0.000	1	106.9710	0.000	1	109.0143	4.920	2388	109.0143	4.920	2388
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	2:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]N[6a])(OH)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]N[6a])(OH)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHO){1|C<3>,1|H<1>,1|N<2>}	O(CC[6a]HH)(H)	112.9800	0.000	1	112.9800	0.000	1	112.9800	0.000	1	112.2560	0.531	3	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	2:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	O[6a]-2:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]O[6a])(OH)(H)2	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]O[6a])(OH)(H)2	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]H)(CHHO){1|O<1>,2|C<3>}	O(CC[6a]HH)(H)	111.8940	0.525	2	111.8940	0.275	2	111.8940	0.275	2	112.2560	0.531	3	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:2:4:	4:1:	C[6a]-3:O-2:Br-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:H-1:	C(C[6a]C[6a]N[6a])(OH)(Br)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CBrHO)	O(CC[6a]BrH)(H)	C(C[6a]C[6a]N[6a])(OH)(Br)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CBrHO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]BrH)(H)	121.5040	0.000	1	121.5040	0.000	1	121.5040	0.000	1	112.0702	7.544	23	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:2:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:H-1:	C(C[6a]C[6a]N[6a])(OH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]N[6a])(OH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]HH)(H)	112.7475	1.810	4	112.3339	2.342	14	112.2597	2.257	15	112.0702	7.544	23	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:2:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:H-1:	C(C[6a]C[6a]N[6a])(OH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]N[6a])(OH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]HH)(H)	112.3567	1.751	3	112.3339	2.342	14	112.2597	2.257	15	112.0702	7.544	23	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:2:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:H-1:	C(C[6a]C[6a]N[6a])(OH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]N[6a])(OH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|C<3>,1|N<2>,1|N<3>}	O(CC[6a]HH)(H)	112.7190	0.000	1	112.3339	2.342	14	112.2597	2.257	15	112.0702	7.544	23	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:2:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:H-1:	C(C[6a]C[6a]N[6a])(OH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]N[6a])(OH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(H)	112.7500	0.239	2	112.3339	2.342	14	112.2597	2.257	15	112.0702	7.544	23	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:2:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:H-1:	C(C[6a]C[6a]N[6a])(OH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]N[6a])(OH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|H<1>,2|C<3>}	O(CC[6a]HH)(H)	111.5990	1.922	4	112.3339	2.342	14	112.2597	2.257	15	112.0702	7.544	23	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:2:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:H-1:	C(C[6a]C[6a]N[6a])(OH)(H)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]N[6a])(OH)(H)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(H)	111.2200	0.000	1	111.2200	0.000	1	112.2597	2.257	15	112.0702	7.544	23	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:2:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:O[6a]-2:C-4:	C-4:H-1:	C(C[6a]C[6a]O[6a])(OH)(H)2	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]O[6a])(OH)(H)2	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CHHO){1|C<3>,1|C<4>,1|O<1>}	O(CC[6a]HH)(H)	108.8427	0.348	3	109.1175	0.383	4	110.3164	3.883	7	112.0702	7.544	23	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:2:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:O[6a]-2:C-4:	C-4:H-1:	C(C[6a]C[6a]O[6a])(OH)(H)2	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]O[6a])(OH)(H)2	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CHHO){1|C<3>,1|O<1>,1|O<2>}	O(CC[6a]HH)(H)	109.9420	0.000	1	109.1175	0.383	4	110.3164	3.883	7	112.0702	7.544	23	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:2:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:O[6a]-2:C-4:	C-4:H-1:	C(C[6a]C[6a]O[6a])(OH)(H)2	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]O[6a])(OH)(H)2	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(CHHO){1|C<3>,1|C<4>,1|O<1>}	O(CC[6a]HH)(H)	110.1450	0.000	1	111.9150	4.366	3	110.3164	3.883	7	112.0702	7.544	23	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:2:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:O[6a]-2:C-4:	C-4:H-1:	C(C[6a]C[6a]O[6a])(OH)(H)2	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]O[6a])(OH)(H)2	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(CHHO){1|C<3>,1|H<1>,1|O<1>}	O(CC[6a]HH)(H)	112.8000	2.008	2	111.9150	4.366	3	110.3164	3.883	7	112.0702	7.544	23	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:2:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:	C(C[6a]C[6a]N[6a])(OC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	O(CC[6a]HH)(CCHH)	C(C[6a]C[6a]N[6a])(OC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]HH)(CCHH)	111.9045	2.482	4	112.3856	5.778	5	110.7420	5.997	20	110.3979	6.953	23	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:2:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:	C(C[6a]C[6a]N[6a])(OC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	O(CC[6a]HH)(CCHH)	C(C[6a]C[6a]N[6a])(OC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CCHH)	114.3100	0.000	1	112.3856	5.778	5	110.7420	5.997	20	110.3979	6.953	23	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:2:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:	C(C[6a]C[6a]N[6a])(OC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	O(CC[6a]HH)(CC[6]2C)	C(C[6a]C[6a]N[6a])(OC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CC[6]2C)	105.8320	0.000	1	105.8320	0.000	1	110.7420	5.997	20	110.3979	6.953	23	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:2:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:	C(C[6a]C[6a]N[6a])(OC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	O(CC[6a]HH)(CC[6]HH)	C(C[6a]C[6a]N[6a])(OC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CC[6]HH)	110.9750	0.000	1	110.9750	0.000	1	110.7420	5.997	20	110.3979	6.953	23	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:2:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:	C(C[6a]C[6a]N[6a])(OC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	O(CC[6a]HH)(CH3)	C(C[6a]C[6a]N[6a])(OC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]HH)(CH3)	110.5020	0.000	1	112.0780	4.968	2	110.7420	5.997	20	110.3979	6.953	23	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:2:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:	C(C[6a]C[6a]N[6a])(OC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	O(CC[6a]HH)(CH3)	C(C[6a]C[6a]N[6a])(OC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|N<3>,1|O<1>,1|S<1>}	O(CC[6a]HH)(CH3)	113.6540	0.000	1	112.0780	4.968	2	110.7420	5.997	20	110.3979	6.953	23	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:2:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:	C(C[6a]C[6a]N[6a])(OC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	O(CC[6a]HH)2	C(C[6a]C[6a]N[6a])(OC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]HH)2	110.3536	2.528	5	110.1773	4.112	11	110.7420	5.997	20	110.3979	6.953	23	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:2:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:	C(C[6a]C[6a]N[6a])(OC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	O(CC[6a]HH)2	C(C[6a]C[6a]N[6a])(OC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|H<1>,2|C<3>}	O(CC[6a]HH)2	110.0303	1.748	6	110.1773	4.112	11	110.7420	5.997	20	110.3979	6.953	23	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:2:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:S-4:	C(C[6a]C[6a]N[6a])(OS)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	O(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]N[6a])(OS)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]HH)(SC[6a]OO)	105.8750	0.000	1	105.8750	0.000	1	105.8750	0.000	1	110.3979	6.953	23	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:2:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	P-4:C-4:	C(C[6a]C[6a]N[6a])(OP)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	O(PC[6a]2Pt)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(OP)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|C<3>,1|C<4>,1|H<1>}	O(PC[6a]2Pt)(CC[6a]HH)	109.2180	3.663	2	109.2180	13.416	2	109.2180	13.416	2	110.3979	6.953	23	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	2:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	O-2:C-4:	C(C[6a]C[6a]2)(OO)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(OC[5,6,6])(CC[6a]HH)	C(C[6a]C[6a]2)(OO)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(OC[5,6,6])(CC[6a]HH)	113.7550	0.000	1	113.7550	0.000	1	113.7550	0.000	1	113.7550	0.000	1	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[4]-3:C-4:	C(C[6a]C[6a]2)(ON[4])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(N[4]C[4]2)(CC[6a]HH)	C(C[6a]C[6a]2)(ON[4])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(N[4]C[4]2)(CC[6a]HH)	106.4610	0.000	1	106.4610	0.000	1	106.4610	0.000	1	107.1253	4.659	44	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5]-3:C-4:	C(C[6a]C[6a]2)(ON[5])(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHO)	O(N[5]C[5]2)(CC[6a]HH)	C(C[6a]C[6a]2)(ON[5])(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	O(N[5]C[5]2)(CC[6a]HH)	107.5170	0.000	1	107.5170	0.000	1	107.1359	3.515	20	107.1253	4.659	44	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5]-3:C-4:	C(C[6a]C[6a]2)(ON[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(N[5]B[5]P[5])(CC[6a]HH)	C(C[6a]C[6a]2)(ON[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(N[5]B[5]P[5])(CC[6a]HH)	106.9333	1.392	3	106.9333	1.938	3	107.1359	3.515	20	107.1253	4.659	44	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5]-3:C-4:	C(C[6a]C[6a]2)(ON[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(N[5]C[5,5]C[5])(CC[6a]HH)	C(C[6a]C[6a]2)(ON[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(N[5]C[5,5]C[5])(CC[6a]HH)	105.9998	0.784	5	105.9998	0.615	5	107.1359	3.515	20	107.1253	4.659	44	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5]-3:C-4:	C(C[6a]C[6a]2)(ON[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(N[5]C[5,6]C[5])(CC[6a]HH)	C(C[6a]C[6a]2)(ON[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(N[5]C[5,6]C[5])(CC[6a]HH)	108.4650	4.245	3	108.4650	18.022	3	107.1359	3.515	20	107.1253	4.659	44	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5]-3:C-4:	C(C[6a]C[6a]2)(ON[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(N[5]C[5]2)(CC[6a]HH)	C(C[6a]C[6a]2)(ON[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(N[5]C[5]2)(CC[6a]HH)	107.3759	1.305	8	107.3759	1.703	8	107.1359	3.515	20	107.1253	4.659	44	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5a]-3:C-4:	C(C[6a]C[6a]2)(ON[5a])(H)2	C[6a](C[6a]C[6a]C)2(CHHO)	O(N[5a]C[5a,6a]N[5a])(CC[6a]HH)	C(C[6a]C[6a]2)(ON[5a])(H)2	C[6a](C[6a]C[6a]C)2(CHHO){1|C<3>,2|C<4>}	O(N[5a]C[5a,6a]N[5a])(CC[6a]HH)	105.9985	0.433	2	105.9985	0.188	2	106.1780	0.191	3	107.1253	4.659	44	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5a]-3:C-4:	C(C[6a]C[6a]2)(ON[5a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(N[5a]C[5a,6a]N[5a])(CC[6a]HH)	C(C[6a]C[6a]2)(ON[5a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(N[5a]C[5a,6a]N[5a])(CC[6a]HH)	106.5370	0.000	1	106.5370	0.000	1	106.1780	0.191	3	107.1253	4.659	44	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[6]-3:C-4:	C(C[6a]C[6a]2)(ON[6])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO)	O(N[6]C[6]2)(CC[6a]HH)	C(C[6a]C[6a]2)(ON[6])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO){1|C<3>,2|H<1>}	O(N[6]C[6]2)(CC[6a]HH)	107.8880	0.000	1	107.8880	0.000	1	107.4809	8.065	16	107.1253	4.659	44	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[6]-3:C-4:	C(C[6a]C[6a]2)(ON[6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(N[6]C[5,6]C[6])(CC[6a]HH)	C(C[6a]C[6a]2)(ON[6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(N[6]C[5,6]C[6])(CC[6a]HH)	103.5720	0.000	1	103.5720	0.000	1	107.4809	8.065	16	107.1253	4.659	44	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[6]-3:C-4:	C(C[6a]C[6a]2)(ON[6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(N[6]C[6,6]C[6])(CC[6a]HH)	C(C[6a]C[6a]2)(ON[6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(N[6]C[6,6]C[6])(CC[6a]HH)	107.8140	0.000	1	107.8140	0.000	1	107.4809	8.065	16	107.1253	4.659	44	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[6]-3:C-4:	C(C[6a]C[6a]2)(ON[6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(N[6]C[6]2)(CC[6a]HH)	C(C[6a]C[6a]2)(ON[6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(N[6]C[6]2)(CC[6a]HH)	107.7247	2.953	13	107.7247	8.720	13	107.4809	8.065	16	107.1253	4.659	44	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:	C(C[6a]C[6a]2)(ON[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(N[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(ON[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(N[6a]C[6a]2)(CC[6a]HH)	105.8447	0.113	3	105.8447	0.013	3	105.8447	0.013	3	107.1253	4.659	44	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	P[6,6]-3:C-4:	C(C[6a]C[6a]2)(OP[6,6])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO)	O(P[6,6]C[3x6]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OP[6,6])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	O(P[6,6]C[3x6]2)(CC[6a]HH)	108.5730	0.000	1	108.5730	0.000	1	108.5730	0.000	1	107.1253	4.659	44	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[5,6a]C[6a])(OH)(H)2	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[5,6a]C[6a])(OH)(H)2	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[6a]H)(CHHO){1|Se<2>,1|H<1>,2|C<3>}	O(CC[6a]HH)(H)	119.0520	0.000	1	119.0520	0.000	1	116.0160	18.435	2	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[5,6a]C[6a])(OH)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[5,6a]C[6a])(OH)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(CHHO){1|O<2>,2|H<1>,3|C<3>}	O(CC[6a]HH)(H)	112.9800	0.000	1	112.9800	0.000	1	116.0160	18.435	2	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[5a,6a]C[6a])(OH)(H)2	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[5a,6a]C[6a])(OH)(H)2	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CHHO){1|C<3>,1|C<4>,2|N<2>}	O(CC[6a]HH)(H)	113.3455	0.045	2	113.3455	0.002	2	113.3455	0.002	2	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6,6a]C[6a])(OH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6,6a]C[6a])(OH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CHHO){1|N<3>,2|C<3>,2|H<1>}	O(CC[6a]HH)(H)	113.1360	0.000	1	113.1360	0.000	1	113.4600	1.650	11	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6,6a]C[6a])(OH)(H)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6,6a]C[6a])(OH)(H)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(CHHO){1|C<4>,3|C<3>}	O(CC[6a]HH)(H)	111.0350	0.000	1	111.0350	0.000	1	113.4600	1.650	11	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6,6a]C[6a])(OH)(H)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6,6a]C[6a])(OH)(H)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CHHO){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(CC[6a]HH)(H)	113.5710	1.399	2	113.7654	1.209	9	113.4600	1.650	11	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6,6a]C[6a])(OH)(H)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6,6a]C[6a])(OH)(H)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CHHO){1|C<3>,3|C<4>}	O(CC[6a]HH)(H)	113.8210	1.127	7	113.7654	1.209	9	113.4600	1.650	11	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a,6a]C[6a])(OH)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a,6a]C[6a])(OH)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHHO){2|H<1>,3|C<3>}	O(CC[6a]HH)(H)	112.6940	1.342	2	112.6940	1.801	2	112.1991	2.578	14	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a,6a]C[6a])(OH)(H)2	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a,6a]C[6a])(OH)(H)2	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(CHHO){1|H<1>,4|C<3>}	O(CC[6a]HH)(H)	110.4150	0.000	1	110.4150	0.000	1	112.1991	2.578	14	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a,6a]C[6a])(OH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a,6a]C[6a])(OH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHO){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	O(CC[6a]HH)(H)	112.2498	2.250	4	112.3685	2.993	10	112.1991	2.578	14	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a,6a]C[6a])(OH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a,6a]C[6a])(OH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHO){1|H<1>,1|O<2>,3|C<3>}	O(CC[6a]HH)(H)	113.6390	0.000	1	112.3685	2.993	10	112.1991	2.578	14	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a,6a]C[6a])(OH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a,6a]C[6a])(OH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHO){2|H<1>,3|C<3>}	O(CC[6a]HH)(H)	112.2094	1.578	5	112.3685	2.993	10	112.1991	2.578	14	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a,6a]C[6a])(OH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a,6a]C[6a])(OH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(CHHO){2|H<1>,3|C<3>}	O(CC[6a]HH)(H)	111.2990	0.000	1	111.2990	0.000	1	112.1991	2.578	14	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(CHHO){1|H<1>,2|C<3>}	O(CC[6a]HH)(H)	108.8135	0.293	2	108.8135	0.086	2	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(CHHO){1|C<3>,2|O<2>}	O(CC[6a]HH)(H)	113.7350	0.000	1	113.5673	4.003	3	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(CHHO){1|H<1>,2|C<3>}	O(CC[6a]HH)(H)	113.4835	2.822	2	113.5673	4.003	3	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CHHO){1|C<4>,6|C<3>}	O(CC[6a]HH)(H)	111.5500	0.000	1	111.5500	0.000	1	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(CHHO){1|H<1>,1|O<2>,3|C<3>}	O(CC[6a]HH)(H)	113.2605	1.701	2	113.2605	2.892	2	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]HH)(H)	112.8183	1.169	3	113.0435	1.322	6	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHHO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]HH)(H)	113.0400	1.806	2	113.0435	1.322	6	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHHO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]HH)(H)	113.7260	0.000	1	113.0435	1.322	6	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(CHHO){1|H<1>,2|C<3>}	O(CC[6a]HH)(H)	110.7270	0.000	1	110.7270	0.000	1	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]C)(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]C)(CHHO){1|H<1>,1|N<3>,3|C<3>}	O(CC[6a]HH)(H)	112.2340	0.000	1	112.2340	0.000	1	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(CHHO){1|N<3>,2|C<3>}	O(CC[6a]HH)(H)	113.6760	0.000	1	113.6760	0.000	1	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CHHO){1|H<1>,2|C<3>}	O(CC[6a]HH)(H)	109.0030	0.000	1	109.0030	0.000	1	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(CHHO){1|Br<1>,1|C<3>,1|N<2>}	O(CC[6a]HH)(H)	110.1830	0.509	2	110.1830	0.259	2	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CHHO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]HH)(H)	113.1170	0.000	1	113.1760	0.007	2	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CHHO){1|O<2>,2|C<3>}	O(CC[6a]HH)(H)	113.2350	0.000	1	113.1760	0.007	2	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CHHO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]HH)(H)	113.5510	0.000	1	113.5510	0.000	1	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CHHO){5|C<3>}	O(CC[6a]HH)(H)	111.2000	1.335	2	111.2000	1.782	2	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]C[3])(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]C[3])(CHHO){1|H<1>,2|C<4>,4|C<3>}	O(CC[6a]HH)(H)	111.6000	2.195	2	111.6000	4.817	2	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CHHO){1|C<4>,4|C<3>}	O(CC[6a]HH)(H)	111.7650	0.000	1	111.7650	0.000	1	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CHHO){2|C<3>}	O(CC[6a]HH)(H)	112.9474	0.311	5	112.9474	0.096	5	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CHHO){2|C<3>}	O(CC[6a]HH)(H)	109.1788	0.054	4	109.1788	0.003	4	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CHHO){2|C<3>}	O(CC[6a]HH)(H)	108.1630	0.000	1	108.1630	0.000	1	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CHHO){1|H<1>,1|O<2>,3|C<3>}	O(CC[6a]HH)(H)	111.7365	2.371	2	111.7365	5.621	2	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHO){2|H<1>,3|C<3>}	O(CC[6a]HH)(H)	112.2053	1.964	4	112.2053	3.857	4	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(CHHO){1|Br<1>,1|C<3>,1|H<1>}	O(CC[6a]HH)(H)	111.1610	0.765	2	111.1610	0.585	2	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO){1|C<2>,1|C<3>,1|H<1>}	O(CC[6a]HH)(H)	111.6515	3.539	2	111.7610	2.779	34	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO){1|C<3>,1|C<4>,1|N<3>}	O(CC[6a]HH)(H)	112.6410	1.699	4	111.7610	2.779	34	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]HH)(H)	111.5340	1.970	3	111.7610	2.779	34	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(H)	111.7381	1.549	24	111.7610	2.779	34	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO){1|C<4>,1|H<1>,1|N<2>}	O(CC[6a]HH)(H)	109.6910	0.000	1	111.7610	2.779	34	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHHO){1|C<4>,1|H<1>,1|N<2>}	O(CC[6a]HH)(H)	107.6390	0.000	1	108.9600	3.490	2	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHHO){1|C<4>,1|N<2>,1|N<4>}	O(CC[6a]HH)(H)	110.2810	0.000	1	108.9600	3.490	2	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(CHHO){1|C<3>,1|H<1>,1|O<1>}	O(CC[6a]HH)(H)	112.5880	0.000	1	112.7762	3.456	13	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(CHHO){1|C<3>,1|O<2>}	O(CC[6a]HH)(H)	112.7918	1.941	12	112.7762	3.456	13	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(CHHO){1|C<3>,1|O<2>}	O(CC[6a]HH)(H)	110.9800	1.769	2	110.9800	3.130	2	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]C)2(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]C)2(CHHO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]HH)(H)	112.1662	0.617	4	111.6969	1.297	8	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]C)2(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]C)2(CHHO){1|C<3>,2|C<4>}	O(CC[6a]HH)(H)	111.2275	1.435	4	111.6969	1.297	8	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(CHHO){1|C<3>,1|O<2>,2|N<3>}	O(CC[6a]HH)(H)	115.0100	0.000	1	115.0100	0.000	1	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]HH)(H)	113.0527	0.868	3	113.0527	0.753	3	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]Cl)2(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]Cl)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(H)	112.2260	0.745	2	112.2260	0.555	2	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]HH)(H)	109.7470	0.000	1	111.6494	3.435	18	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]HH)(H)	110.2280	0.000	1	111.6494	3.435	18	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(H)	111.8572	1.863	16	111.6494	3.435	18	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|Br<1>,1|C<3>,1|C<4>}	O(CC[6a]HH)(H)	113.0145	0.060	2	112.2048	2.071	32	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|Br<1>,1|C<3>,1|H<1>}	O(CC[6a]HH)(H)	108.8010	0.000	1	112.2048	2.071	32	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]HH)(H)	111.4875	3.253	2	112.2048	2.071	32	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|C<3>,1|C<4>,1|O<2>}	O(CC[6a]HH)(H)	112.6280	1.333	4	112.2048	2.071	32	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]HH)(H)	111.5125	1.074	2	112.2048	2.071	32	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|C<3>,2|C<4>}	O(CC[6a]HH)(H)	112.6486	0.974	5	112.2048	2.071	32	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(H)	111.7555	3.543	2	112.2048	2.071	32	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|C<4>,2|C<3>}	O(CC[6a]HH)(H)	112.4787	1.016	10	112.2048	2.071	32	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|Cl<1>,1|C<3>,1|C<4>}	O(CC[6a]HH)(H)	111.4390	1.102	2	112.2048	2.071	32	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){2|Br<1>,1|C<3>}	O(CC[6a]HH)(H)	112.3960	1.136	2	112.2048	2.071	32	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]HH)(H)	112.0180	0.000	1	111.6620	0.118	3	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(H)	111.4840	0.215	2	111.6620	0.118	3	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]HH)(H)	111.5150	0.000	1	112.4916	0.783	5	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHO){1|C<3>,2|C<4>}	O(CC[6a]HH)(H)	112.7357	0.804	4	112.4916	0.783	5	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,1|H<1>,1|N<2>}	O(CC[6a]HH)(H)	111.0610	2.077	3	111.7929	3.971	65	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]HH)(H)	113.3270	0.703	5	111.7929	3.971	65	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,1|H<1>,1|N<4>}	O(CC[6a]HH)(H)	111.7230	0.000	1	111.7929	3.971	65	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]HH)(H)	111.4968	2.427	11	111.7929	3.971	65	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|C<4>}	O(CC[6a]HH)(H)	111.8235	2.211	4	111.7929	3.971	65	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(H)	112.0861	2.034	28	111.7929	3.971	65	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|N<3>}	O(CC[6a]HH)(H)	110.6090	0.000	1	111.7929	3.971	65	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|O<2>}	O(CC[6a]HH)(H)	110.6305	1.629	6	111.7929	3.971	65	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|H<1>,1|N<2>,1|N<3>}	O(CC[6a]HH)(H)	111.7060	0.000	1	111.7929	3.971	65	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|H<1>,2|C<3>}	O(CC[6a]HH)(H)	109.5970	2.210	2	111.7929	3.971	65	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|O<2>,2|C<3>}	O(CC[6a]HH)(H)	111.8720	0.000	1	111.7929	3.971	65	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){2|Cl<1>,1|C<3>}	O(CC[6a]HH)(H)	112.8325	1.429	2	111.7929	3.971	65	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHHO){1|C<4>,1|H<1>,1|P<3>,2|C<3>}	O(CC[6a]HH)(H)	113.6470	0.000	1	113.6470	0.000	1	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(CHHO){3|C<3>}	O(CC[6a]HH)(H)	109.0870	0.000	1	109.0870	0.000	1	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]O)2(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]O)2(CHHO){1|H<1>,2|C<3>}	O(CC[6a]HH)(H)	109.8910	0.000	1	109.8910	0.000	1	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]H)(CHHO){4|C<3>}	O(CC[6a]HH)(H)	111.6000	0.000	1	111.6000	0.000	1	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]HH)(H)	114.1910	0.000	1	112.4423	3.049	3	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(H)	111.5680	1.229	2	112.4423	3.049	3	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CHHO){1|C<3>,2|C<4>}	O(CC[6a]HH)(H)	111.7495	2.859	2	111.4198	3.659	5	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(H)	111.2000	1.746	3	111.4198	3.659	5	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]N[6a]C)(C[6a]N[6a]S)(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]N[6a]C)(C[6a]N[6a]S)(CHHO){1|C<3>}	O(CC[6a]HH)(H)	110.4405	0.501	2	110.4405	0.251	2	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(H)	108.3000	0.000	1	108.3000	0.000	1	111.8565	3.205	249	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]N[6a])(OH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(H)	C(C[6a]C[6a]N[6a])(OH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CHHO){1|C<3>,1|H<1>,1|O<1>}	O(CC[6a]HH)(H)	112.5200	0.000	1	112.5200	0.000	1	112.5200	0.000	1	111.9798	3.340	279	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:2:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:Ge-2:	C(C[6a]C[6a]2)(OGe)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(GeN)	C(C[6a]C[6a]2)(OGe)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(GeN)	112.4560	0.000	1	112.4560	0.000	1	112.4560	0.000	1	111.2752	14.970	9	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:2:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:	C(C[6a]C[6a]2)(OO)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(OCo)	C(C[6a]C[6a]2)(OO)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHHO){1|H<1>,2|C<3>}	O(CC[6a]HH)(OCo)	105.3010	0.000	1	105.3010	0.000	1	112.3040	22.841	4	111.2752	14.970	9	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:2:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:	C(C[6a]C[6a]2)(OO)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(OC)	C(C[6a]C[6a]2)(OO)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(OC)	113.1930	0.000	1	113.1930	0.000	1	112.3040	22.841	4	111.2752	14.970	9	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:2:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:	C(C[6a]C[6a]2)(OO)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(OCo)	C(C[6a]C[6a]2)(OO)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(OCo)	115.3610	0.000	2	115.3610	0.000	2	112.3040	22.841	4	111.2752	14.970	9	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:2:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-2:	C(C[6a]C[6a]2)(OS)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(SS)	C(C[6a]C[6a]2)(OS)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(SS)	109.9513	3.587	4	109.9513	12.865	4	109.9513	12.865	4	111.2752	14.970	9	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-3:	C(C[6a]C[6a]2)(ON)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(NCC)	C(C[6a]C[6a]2)(ON)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(NCC)	113.8570	0.000	1	113.8570	0.000	1	109.5078	10.131	37	109.6148	9.854	39	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-3:	C(C[6a]C[6a]2)(ON)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(NCH)	C(C[6a]C[6a]2)(ON)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(NCH)	107.9420	0.000	1	107.9420	0.000	1	109.5078	10.131	37	109.6148	9.854	39	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-3:	C(C[6a]C[6a]2)(ON)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(NCC)	C(C[6a]C[6a]2)(ON)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(NCC)	107.2480	1.202	5	107.2480	1.446	5	109.5078	10.131	37	109.6148	9.854	39	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-3:	C(C[6a]C[6a]2)(ON)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(NCH)	C(C[6a]C[6a]2)(ON)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(NCH)	108.9032	2.835	15	109.9453	10.624	19	109.5078	10.131	37	109.6148	9.854	39	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-3:	C(C[6a]C[6a]2)(ON)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(NCH)	C(C[6a]C[6a]2)(ON)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]HH)(NCH)	113.8530	0.673	4	109.9453	10.624	19	109.5078	10.131	37	109.6148	9.854	39	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-3:	C(C[6a]C[6a]2)(ON)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(NCO)	C(C[6a]C[6a]2)(ON)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(NCO)	110.6300	4.214	3	110.6300	17.761	3	109.5078	10.131	37	109.6148	9.854	39	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-3:	C(C[6a]C[6a]2)(ON)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(NC[4]C)	C(C[6a]C[6a]2)(ON)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(NC[4]C)	113.0600	0.000	1	113.0600	0.000	1	109.5078	10.131	37	109.6148	9.854	39	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-3:	C(C[6a]C[6a]2)(ON)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(NC[5,6]H)	C(C[6a]C[6a]2)(ON)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(NC[5,6]H)	107.2070	0.000	1	107.2070	0.000	1	109.5078	10.131	37	109.6148	9.854	39	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-3:	C(C[6a]C[6a]2)(ON)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(NC[5]C)	C(C[6a]C[6a]2)(ON)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(NC[5]C)	108.4553	4.717	3	108.4553	22.247	3	109.5078	10.131	37	109.6148	9.854	39	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-3:	C(C[6a]C[6a]2)(ON)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(NC[5]H)	C(C[6a]C[6a]2)(ON)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(NC[5]H)	107.6980	0.011	2	107.6980	0.000	2	109.5078	10.131	37	109.6148	9.854	39	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-3:	C(C[6a]C[6a]2)(ON)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(NPdC)	C(C[6a]C[6a]2)(ON)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(NPdC)	111.8700	0.000	1	111.8700	0.000	1	109.5078	10.131	37	109.6148	9.854	39	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-3:	C(C[6a]C[6a]2)(OS)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(SOS)	C(C[6a]C[6a]2)(OS)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(SOS)	111.5950	1.212	2	111.5950	1.469	2	111.5950	1.469	2	109.6148	9.854	39	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[5,6a]C[6a])(OC)(H)2	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[5,6a]Si)(CHHO)	O(CC[6a]C[5]H)(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(OC)(H)2	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[5,6a]Si)(CHHO){1|C<4>,1|H<1>,4|C<3>}	O(CC[6a]C[5]H)(CC[6a]HH)	116.4140	0.000	1	112.4545	31.355	2	112.5403	15.700	3	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[5,6a]C[6a])(OC)(H)2	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[5,6a]Si)(CHHO)	O(CC[6a]C[5]H)(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(OC)(H)2	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[5,6a]Si)(CHHO){1|H<1>,2|C<4>,3|C<3>}	O(CC[6a]C[5]H)(CC[6a]HH)	108.4950	0.000	1	112.4545	31.355	2	112.5403	15.700	3	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[5,6a]C[6a])(OC)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CHHO)	O(CC[6a]HH)(CCHH)	C(C[6a]C[5,6a]C[6a])(OC)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CHHO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(CC[6a]HH)(CCHH)	112.7120	0.000	1	112.7120	0.000	1	112.5403	15.700	3	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[5a,6a]C[6a])(OC)(H)2	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]C)(CHHO)	O(CC[6a]HH)(CH3)	C(C[6a]C[5a,6a]C[6a])(OC)(H)2	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]C)(CHHO){1|N<3>,3|C<3>}	O(CC[6a]HH)(CH3)	108.4065	1.538	2	108.4065	2.365	2	107.9447	1.823	3	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[5a,6a]C[6a])(OC)(H)2	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]H)(CHHO)	O(CC[6a]HH)(CH3)	C(C[6a]C[5a,6a]C[6a])(OC)(H)2	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]H)(CHHO){1|C<4>,3|C<3>}	O(CC[6a]HH)(CH3)	107.0210	0.000	1	107.0210	0.000	1	107.9447	1.823	3	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6,6a]C[6a])(OC)(H)2	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)2	C(C[6a]C[6,6a]C[6a])(OC)(H)2	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(CHHO){1|C<4>,1|H<1>,3|C<3>}	O(CC[6a]HH)2	115.6360	0.605	3	115.6360	0.366	3	115.6360	0.366	3	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a,6a]2)(OC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHO)	O(CC[6a]CC)(CC[6a]HH)	C(C[6a]C[6a,6a]2)(OC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHO){2|H<1>,5|C<3>}	O(CC[6a]CC)(CC[6a]HH)	107.6190	0.000	1	107.6190	0.000	1	108.6734	1.941	5	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a,6a]2)(OC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHO)	O(CC[6a]C[5]C)(CC[6a]HH)	C(C[6a]C[6a,6a]2)(OC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHO){2|H<1>,5|C<3>}	O(CC[6a]C[5]C)(CC[6a]HH)	107.5170	0.000	1	107.5170	0.000	1	108.6734	1.941	5	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a,6a]2)(OC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHO)	O(CC[6a]HH)(CH3)	C(C[6a]C[6a,6a]2)(OC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHO){2|H<1>,5|C<3>}	O(CC[6a]HH)(CH3)	109.0020	0.000	1	109.0020	0.000	1	108.6734	1.941	5	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a,6a]2)(OC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHO)	O(CC[6a]HH)2	C(C[6a]C[6a,6a]2)(OC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHO){2|H<1>,5|C<3>}	O(CC[6a]HH)2	109.6145	1.853	2	109.6145	3.435	2	108.6734	1.941	5	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a,6a]C[6a])(OC)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(CCHH)	C(C[6a]C[6a,6a]C[6a])(OC)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHHO){2|H<1>,3|C<3>}	O(CC[6a]HH)(CCHH)	111.0050	0.416	2	111.0050	0.173	2	109.4013	5.013	15	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a,6a]C[6a])(OC)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(CH3)	C(C[6a]C[6a,6a]C[6a])(OC)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHHO){2|H<1>,3|C<3>}	O(CC[6a]HH)(CH3)	110.0760	0.000	1	110.0760	0.000	1	109.4013	5.013	15	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a,6a]C[6a])(OC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(CCHH)	C(C[6a]C[6a,6a]C[6a])(OC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHO){1|N<2>,2|C<3>,2|H<1>}	O(CC[6a]HH)(CCHH)	110.0890	0.000	1	110.0890	0.000	1	109.4013	5.013	15	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a,6a]C[6a])(OC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHHO)	O(CC[6a]HH)2	C(C[6a]C[6a,6a]C[6a])(OC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHHO){2|H<1>,3|C<3>}	O(CC[6a]HH)2	108.9121	2.613	10	108.9121	6.826	10	109.4013	5.013	15	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a,6a]C[6a])(OC)(H)2	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CHHO)	O(CC[6a]HH)(CH3)	C(C[6a]C[6a,6a]C[6a])(OC)(H)2	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CHHO){1|H<1>,3|C<3>}	O(CC[6a]HH)(CH3)	109.7230	0.000	1	109.7230	0.000	1	109.4013	5.013	15	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	B-4:C-4:	C(C[6a]C[6a]2)(OB)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(BC[6a]2C)(CC[6a]HH)	C(C[6a]C[6a]2)(OB)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(BC[6a]2C)(CC[6a]HH)	111.7210	0.000	1	111.7210	0.000	1	110.1920	4.676	2	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	B-4:C-4:	C(C[6a]C[6a]2)(OB)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(BC[6a]2C[6])(CC[6a]HH)	C(C[6a]C[6a]2)(OB)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(BC[6a]2C[6])(CC[6a]HH)	108.6630	0.000	1	108.6630	0.000	1	110.1920	4.676	2	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	B[3x6]-4:C-4:	C(C[6a]C[6a]2)(OB[3x6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(B[3x6]N[5a,6,6]3)(CC[6a]HH)	C(C[6a]C[6a]2)(OB[3x6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|C<4>}	O(B[3x6]N[5a,6,6]3)(CC[6a]HH)	114.9500	0.000	1	114.9500	0.000	1	114.9500	0.000	1	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:B-4:	C(C[6a]C[6a]2)(OB)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(BC[6a]3)	C(C[6a]C[6a]2)(OB)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(BC[6a]3)	109.0850	0.000	1	109.0850	0.000	1	109.0850	0.000	1	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(CHHO)	O(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(CHHO){1|C<4>,2|C<3>}	O(CC[6a]HH)(CCHH)	110.5010	0.000	1	110.5010	0.000	1	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(CHHO)	O(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(CHHO){1|C<3>,2|C<4>}	O(CC[6a]HH)(CH3)	105.9690	0.000	1	105.9690	0.000	1	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHHO){1|C<3>,2|C<4>}	O(CC[6a]HH)(CH3)	110.7620	0.000	1	110.7620	0.000	1	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]HH)(CCHH)	109.2020	0.000	1	109.2020	0.000	1	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CHHO)	O(CC[5a]HH)(CC[6a]HH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CHHO){1|H<1>,1|O<2>,3|C<3>}	O(CC[5a]HH)(CC[6a]HH)	112.7525	2.884	2	112.7525	8.319	2	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(CHHO){1|C<4>,1|H<1>,3|C<3>}	O(CC[6a]HH)(CH3)	107.7880	0.000	1	107.7880	0.000	1	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CHHO){1|H<1>,2|C<3>}	O(CC[6a]HH)(CCHH)	113.3650	0.000	1	113.3650	0.000	1	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHO){1|H<1>,4|C<3>}	O(CC[6a]HH)(CCHH)	114.2190	0.000	2	114.2190	0.000	2	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHO){1|H<1>,4|C<3>}	O(CC[6a]HH)(CH3)	110.4455	1.150	2	110.4455	1.324	2	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(CHHO)	O(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(CHHO){1|C<4>,4|C<3>}	O(CC[6a]HH)(CH3)	110.0970	0.457	2	110.0970	0.209	2	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(CHHO)	O(CC[6a]HH)2	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(CHHO){1|O<2>,4|C<3>}	O(CC[6a]HH)2	111.5930	0.000	1	111.5930	0.000	1	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHHO)	O(CC[5a]HH)(CC[6a]HH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHHO){1|H<1>,2|C<3>}	O(CC[5a]HH)(CC[6a]HH)	109.0610	0.000	1	109.0610	0.000	1	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(CCCH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHHO){1|H<1>,2|C<3>}	O(CC[6a]HH)(CCCH)	109.3750	0.000	1	109.3750	0.000	1	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(CC[6]HH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHHO){1|H<1>,2|C<3>}	O(CC[6a]HH)(CC[6]HH)	110.5940	0.000	1	110.5940	0.000	1	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[5,6a]H)(CHHO)	O(CC[6a]HH)2	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[5,6a]H)(CHHO){1|C<4>,2|C<3>}	O(CC[6a]HH)2	112.8615	0.676	4	112.8615	0.458	4	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CHHO)	O(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CHHO){1|H<1>,2|C<3>}	O(CC[6a]HH)(CCHH)	108.2800	0.000	1	108.2800	0.000	1	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHO)	O(CC[6a]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHO){1|Cl<1>,1|H<1>,3|C<3>}	O(CC[6a]CH)(CC[6a]HH)	106.4580	0.000	2	109.9737	10.777	7	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHO)	O(CC[6a]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHO){1|H<1>,1|O<2>,3|C<3>}	O(CC[6a]CH)(CC[6a]HH)	112.4960	0.000	1	109.9737	10.777	7	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHO)	O(CC[6a]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHO){2|H<1>,3|C<3>}	O(CC[6a]CH)(CC[6a]HH)	111.1010	3.082	4	109.9737	10.777	7	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHO){2|H<1>,3|C<3>}	O(CC[6a]HH)(CCHH)	108.2201	1.969	29	108.2201	3.876	29	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHO){1|C<4>,1|H<1>,3|C<3>}	O(CC[6a]HH)(CH3)	112.2045	2.802	2	112.2045	7.853	2	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)2	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHO){1|Br<1>,1|H<1>,3|C<3>}	O(CC[6a]HH)2	114.3050	0.000	1	112.9557	1.375	4	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)2	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHO){1|C<4>,1|N<3>,3|C<3>}	O(CC[6a]HH)2	111.9855	0.271	2	112.9557	1.375	4	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)2	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHO){2|O<2>,3|C<3>}	O(CC[6a]HH)2	113.5470	0.000	1	112.9557	1.375	4	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(CC3)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]HH)(CC3)	106.8680	0.000	1	106.8680	0.000	1	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CHHO){1|C<2>,1|C<3>,1|H<1>}	O(CC[6a]HH)(CH3)	110.9270	0.000	1	109.3588	2.099	9	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]HH)(CH3)	109.2547	1.659	6	109.3588	2.099	9	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CH3)	108.8870	0.267	2	109.3588	2.099	9	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO)	O(CC[6a]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]CH)(CC[6a]HH)	111.8975	0.326	2	109.5295	3.714	6	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO)	O(CC[6a]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CC[6a]HH)	108.3455	0.740	4	109.5295	3.714	6	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]HH)(CCHH)	111.4145	1.397	4	110.5299	5.364	12	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CCHH)	108.6923	0.562	6	110.5299	5.364	12	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO){1|C<3>,2|O<2>}	O(CC[6a]HH)(CCHH)	114.2735	0.388	2	110.5299	5.364	12	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CH3)	109.7520	0.000	1	108.8570	1.602	2	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO){1|H<1>,2|C<3>}	O(CC[6a]HH)(CH3)	107.9620	0.000	1	108.8570	1.602	2	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)2	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)2	110.4745	3.610	2	110.4745	13.031	2	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHHO)	O(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHHO){1|C<3>,1|C<4>,1|O<2>}	O(CC[6a]HH)(CCHH)	112.1310	0.000	1	112.1310	0.000	1	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C)2(CHHO)	O(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C)2(CHHO){1|C<3>,2|C<4>}	O(CC[6a]HH)(CCHH)	110.9282	2.296	6	110.9282	5.271	6	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C)2(CHHO)	O(CC[6a]HH)2	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C)2(CHHO){1|C<3>,2|C<4>}	O(CC[6a]HH)2	106.9231	2.421	9	106.9231	5.860	9	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CHHO){1|Fe<7>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O(CC[6a]HH)(CH3)	111.1375	3.597	2	111.1375	12.939	2	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHO)	O(CC[5a]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	O(CC[5a]CH)(CC[6a]HH)	108.9535	0.414	2	109.4267	0.757	3	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHO)	O(CC[5a]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[5a]CH)(CC[6a]HH)	110.3730	0.000	1	109.4267	0.757	3	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHO)	O(CC[6a]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CC[6a]HH)	109.7534	1.895	14	109.7453	3.336	15	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHO)	O(CC[6a]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]CH)(CC[6a]HH)	109.6330	0.000	1	109.7453	3.336	15	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]Cl)2(CHHO)	O(CC[5a]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]Cl)2(CHHO){1|C<3>,2|H<1>}	O(CC[5a]CH)(CC[6a]HH)	107.7090	0.989	2	107.7090	0.977	2	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]Cl)2(CHHO)	O(CC[6a]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]Cl)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CC[6a]HH)	105.7290	0.000	1	105.7290	0.000	1	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]Cl)2(CHHO)	O(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]Cl)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CCHH)	110.5340	2.423	2	110.5340	5.869	2	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]Cl)2(CHHO)	O(CC[6a]HH)(CC[5]HH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]Cl)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CC[5]HH)	110.7340	3.058	2	110.7340	9.348	2	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]F)2(CHHO)	O(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]F)2(CHHO){1|C<3>,2|F<1>}	O(CC[6a]HH)(CCHH)	112.0980	2.413	4	112.0980	5.821	4	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CHHO)	O(CC[6a]HH)(CC[5]CH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CC[5]CH)	109.1290	0.000	1	109.1290	0.000	1	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO)	O(CC[6a]CC)(CC[6a]HH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO){1|C<3>,2|H<1>}	O(CC[6a]CC)(CC[6a]HH)	108.2030	0.000	1	108.2030	0.000	1	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO)	O(CC[6a]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CC[6a]HH)	111.2930	0.000	1	111.2930	0.000	1	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO)	O(CC[6a]HH)(CC[5]HH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CC[5]HH)	108.2450	0.000	1	108.2450	0.000	1	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO)	O(CC[6a]HH)(CC[6]HH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CC[6]HH)	110.0470	2.443	4	110.0470	5.969	4	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	O(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|C<3>,2|C<4>}	O(CC[6a]HH)(CCHH)	109.9005	2.268	6	110.7855	7.111	23	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	O(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CCHH)	111.3248	2.726	13	110.7855	7.111	23	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	O(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|Cl<1>,1|C<3>,1|C<4>}	O(CC[6a]HH)(CCHH)	110.3600	3.282	4	110.7855	7.111	23	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	O(CC[6a]HH)(CC[5]HH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CC[5]HH)	110.3490	0.000	1	110.3490	0.000	1	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	O(CC[6a]HH)(CC[6]HH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|C<3>,2|C<4>}	O(CC[6a]HH)(CC[6]HH)	112.9400	0.000	1	112.9400	0.000	1	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	O(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|C<3>,1|H<1>,1|S<3>}	O(CC[6a]HH)(CH3)	109.0160	0.000	1	111.6144	6.991	5	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	O(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|C<4>,2|C<3>}	O(CC[6a]HH)(CH3)	113.0380	2.484	3	111.6144	6.991	5	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	O(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|H<1>,2|C<3>}	O(CC[6a]HH)(CH3)	109.9420	0.000	1	111.6144	6.991	5	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	O(CC[6a]HH)2	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]HH)2	108.8180	1.576	4	110.4605	5.399	72	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	O(CC[6a]HH)2	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|C<3>,1|C<4>,1|N<3>}	O(CC[6a]HH)2	107.5375	0.419	2	110.4605	5.399	72	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	O(CC[6a]HH)2	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|C<3>,1|C<4>,1|S<2>}	O(CC[6a]HH)2	110.7656	2.361	8	110.4605	5.399	72	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	O(CC[6a]HH)2	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|C<3>,2|C<4>}	O(CC[6a]HH)2	110.6931	2.292	57	110.4605	5.399	72	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	O(CC[6a]HH)2	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|C<4>,2|C<3>}	O(CC[6a]HH)2	107.1750	0.000	1	110.4605	5.399	72	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHO)	O(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CH3)	110.0178	1.419	6	110.0178	2.013	6	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHO)	O(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHO){1|C<3>,1|H<1>}	O(CC[6a]HH)(CCHH)	108.5960	0.000	1	108.5960	0.000	1	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHO)	O(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHO){2|C<3>}	O(CC[6a]HH)(CH3)	111.4250	0.000	1	111.4250	0.000	1	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CHHO)	O(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CHHO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]HH)(CCHH)	112.7210	0.000	1	112.7210	0.000	1	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[3,6]HH)(CC[6a]HH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[3,6]HH)(CC[6a]HH)	110.4160	0.000	1	110.4160	0.000	1	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[5,5]HH)(CC[6a]HH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[5,5]HH)(CC[6a]HH)	109.5985	2.436	4	109.5985	5.935	4	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[5,6]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[5,6]CH)(CC[6a]HH)	108.8210	0.000	1	108.8210	0.000	1	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[5,6]HH)(CC[6a]HH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[5,6]HH)(CC[6a]HH)	113.9270	1.046	4	113.9270	1.093	4	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[5a]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[5a]CH)(CC[6a]HH)	108.3080	0.000	1	108.3080	0.000	1	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[5a]HH)(CC[6a]HH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[5a]HH)(CC[6a]HH)	109.8790	4.974	2	110.3223	12.959	3	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[5a]HH)(CC[6a]HH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|Mn<6>,1|C<3>,1|H<1>}	O(CC[5a]HH)(CC[6a]HH)	111.2090	0.000	1	110.3223	12.959	3	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6,6]HH)(CC[6a]HH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6,6]HH)(CC[6a]HH)	112.0140	0.000	1	112.0140	0.000	1	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]CC)(CC[6a]HH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]CC)(CC[6a]HH)	108.9997	1.376	9	108.9997	1.893	9	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CC[6a]HH)	110.5874	2.440	14	110.6948	5.703	15	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]CH)(CC[6a]HH)	112.1980	0.000	1	110.6948	5.703	15	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]C[5]C)(CC[6a]HH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]C[5]C)(CC[6a]HH)	108.0047	0.792	3	108.0047	0.627	3	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]C[6]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]C[6]2)(CC[6a]HH)	108.2710	0.000	1	108.2710	0.000	1	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(CC3)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<2>,1|C<3>,1|C<4>}	O(CC[6a]HH)(CC3)	105.5820	0.426	2	106.9830	3.111	7	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(CC3)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,1|C<4>,1|I<1>}	O(CC[6a]HH)(CC3)	105.7955	0.220	2	106.9830	3.111	7	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(CC3)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CC3)	108.7087	1.175	3	106.9830	3.111	7	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(CCCH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CCCH)	109.8680	2.026	49	109.8680	4.106	49	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<2>,1|C<3>,1|C<4>}	O(CC[6a]HH)(CCHH)	111.9190	1.786	2	110.8279	4.805	139	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]HH)(CCHH)	109.8203	2.776	4	110.8279	4.805	139	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,1|C<4>,1|I<1>}	O(CC[6a]HH)(CCHH)	113.7130	0.383	2	110.8279	4.805	139	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,1|H<1>,1|N<2>}	O(CC[6a]HH)(CCHH)	113.3850	0.665	2	110.8279	4.805	139	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]HH)(CCHH)	113.8360	0.000	1	110.8279	4.805	139	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CCHH)	110.6925	2.147	126	110.8279	4.805	139	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|O<2>}	O(CC[6a]HH)(CCHH)	113.3390	0.304	2	110.8279	4.805	139	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(CCHN)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CCHN)	108.2140	0.000	1	108.2140	0.000	1	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(CCHO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CCHO)	110.1150	0.000	1	110.1150	0.000	1	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(CCHP)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CCHP)	111.1120	4.015	2	111.1120	16.120	2	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(CC[3]CH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CC[3]CH)	110.4780	0.000	1	110.4780	0.000	1	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(CC[3]HH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CC[3]HH)	110.4987	1.539	6	110.4987	2.368	6	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(CC[4]HH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CC[4]HH)	111.0313	2.735	6	111.0313	7.480	6	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(CC[5]2H)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CC[5]2H)	109.1277	1.484	3	109.1277	2.203	3	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(CC[5]CC)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CC[5]CC)	108.4760	1.515	2	108.4760	2.294	2	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(CC[5]CH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CC[5]CH)	110.9514	2.480	10	110.9514	6.149	10	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(CC[5]HH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CC[5]HH)	110.6378	2.135	30	110.6378	4.558	30	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(CC[6]CH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CC[6]CH)	110.7565	2.340	11	110.7565	5.475	11	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(CC[6]HH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|C<4>}	O(CC[6a]HH)(CC[6]HH)	110.8690	0.000	1	111.2465	5.438	67	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(CC[6]HH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CC[6]HH)	111.2522	2.349	66	111.2465	5.438	67	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(CC[6a]HP)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CC[6a]HP)	110.0660	0.000	1	110.0660	0.000	1	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]HH)(CH3)	112.2720	0.000	1	112.2720	0.000	1	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(CHHO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CHHO)	110.6507	2.731	7	110.6507	7.459	7	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(CN[5]HH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CN[5]HH)	110.8380	2.761	3	110.8380	7.622	3	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(CN[5a]CH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CN[5a]CH)	107.2300	0.027	2	107.2300	0.001	2	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(CN[5a]HH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CN[5a]HH)	109.8384	3.150	5	109.8384	9.920	5	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(CSiHH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CSiHH)	110.9750	1.476	2	110.9750	2.180	2	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)2	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]HH)2	110.4375	0.499	2	110.8891	6.827	36	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)2	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]HH)2	111.0725	4.163	2	110.8891	6.827	36	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)2	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,1|N<3>,1|O<2>}	O(CC[6a]HH)2	111.1117	2.231	3	110.8891	6.827	36	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)2	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)2	110.8510	2.737	25	110.8891	6.827	36	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)2	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|H<1>,2|C<3>}	O(CC[6a]HH)2	111.0950	3.202	4	110.8891	6.827	36	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CCHH)	110.7260	0.000	1	110.7260	0.000	1	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CHHO)	O(CC[5a]2H)(CC[6a]HH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CHHO){2|H<1>,3|C<3>}	O(CC[5a]2H)(CC[6a]HH)	112.9850	1.223	2	112.9850	1.496	2	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CHHO){1|C<4>,1|H<1>,3|C<3>}	O(CC[6a]HH)(CCHH)	111.9290	0.000	1	110.1120	6.603	2	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CHHO){2|C<3>,2|N<2>}	O(CC[6a]HH)(CCHH)	108.2950	0.000	1	110.1120	6.603	2	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(CC[6]HH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CHHO){2|C<3>,2|N<2>}	O(CC[6a]HH)(CC[6]HH)	107.6760	0.000	1	107.6760	0.000	1	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]O)2(CHHO)	O(CC[6a]HH)(CC[6]HH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]O)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CC[6]HH)	109.3145	1.595	2	109.3145	2.543	2	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CCHH)	108.8940	0.000	1	108.8940	0.000	1	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]HH)(CH3)	109.6675	1.435	2	109.6675	2.058	2	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)2	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)2	108.1960	0.000	1	108.1960	0.000	1	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(CC3)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]HH)(CC3)	108.3805	0.597	6	108.3805	0.357	6	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]HH)(CH3)	109.8890	1.950	4	109.8890	3.804	4	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(CHHO)	O(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(CHHO){1|C<3>,1|C<4>}	O(CC[6a]HH)(CH3)	111.0790	0.000	1	111.0790	0.000	1	110.3751	5.623	721	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:Ge-4:	C(C[6a]C[6a]2)(OGe)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(GeCOW)	C(C[6a]C[6a]2)(OGe)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(GeCOW)	111.9870	0.000	1	111.9870	0.000	1	111.9870	0.000	1	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-4:	C(C[6a]C[6a]2)(ON)(H)2	C[6a](C[6a]C[6a]F)2(CHHO)	O(CC[6a]HH)(NH3)	C(C[6a]C[6a]2)(ON)(H)2	C[6a](C[6a]C[6a]F)2(CHHO){1|C<3>,2|F<1>}	O(CC[6a]HH)(NH3)	104.7160	0.000	1	104.7160	0.000	1	106.4160	2.213	4	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-4:	C(C[6a]C[6a]2)(ON)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(NBCH)	C(C[6a]C[6a]2)(ON)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(NBCH)	106.9827	1.180	3	106.9827	1.393	3	106.4160	2.213	4	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:P-4:	C(C[6a]C[6a]2)(OP)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(PNOO)	C(C[6a]C[6a]2)(OP)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(PNOO)	110.6820	0.000	1	110.6820	0.000	1	110.2996	4.898	33	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:P-4:	C(C[6a]C[6a]2)(OP)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(PO3)	C(C[6a]C[6a]2)(OP)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(PO3)	112.7720	0.341	4	112.7720	0.116	4	110.2996	4.898	33	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:P-4:	C(C[6a]C[6a]2)(OP)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO)	O(CC[6a]HH)(PO3)	C(C[6a]C[6a]2)(OP)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(PO3)	108.0730	0.000	1	108.0730	0.000	1	110.2996	4.898	33	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:P-4:	C(C[6a]C[6a]2)(OP)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(PCOO)	C(C[6a]C[6a]2)(OP)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(PCOO)	109.0212	1.631	10	109.0212	2.660	10	110.2996	4.898	33	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:P-4:	C(C[6a]C[6a]2)(OP)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(PO3)	C(C[6a]C[6a]2)(OP)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(PO3)	109.3910	1.361	7	109.3910	1.851	7	110.2996	4.898	33	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:P-4:	C(C[6a]C[6a]2)(OP)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(POSS)	C(C[6a]C[6a]2)(OP)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(POSS)	108.7057	0.431	3	108.7057	0.186	3	110.2996	4.898	33	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:P-4:	C(C[6a]C[6a]2)(OP)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(PPdOO)	C(C[6a]C[6a]2)(OP)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(PPdOO)	110.5745	3.631	2	110.5745	13.184	2	110.2996	4.898	33	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:P-4:	C(C[6a]C[6a]2)(OP)(H)2	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(PNiCC)	C(C[6a]C[6a]2)(OP)(H)2	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(CHHO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]HH)(PNiCC)	113.3658	0.573	5	113.3658	0.329	5	110.2996	4.898	33	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:	C(C[6a]C[6a]2)(OS)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(SO3)	C(C[6a]C[6a]2)(OS)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(SO3)	108.6245	0.694	2	108.6245	0.481	2	107.9158	2.584	4	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:	C(C[6a]C[6a]2)(OS)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(SCOO)	C(C[6a]C[6a]2)(OS)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(CC[6a]HH)(SCOO)	108.8290	0.000	1	107.2070	5.262	2	107.9158	2.584	4	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:	C(C[6a]C[6a]2)(OS)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(SCOO)	C(C[6a]C[6a]2)(OS)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|N<3>}	O(CC[6a]HH)(SCOO)	105.5850	0.000	1	107.2070	5.262	2	107.9158	2.584	4	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:Si-4:	C(C[6a]C[6a]2)(OSi)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHHO)	O(CC[6a]HH)(SiC3)	C(C[6a]C[6a]2)(OSi)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHHO){1|H<1>,2|C<3>}	O(CC[6a]HH)(SiC3)	113.3810	0.000	1	113.3810	0.000	1	110.2988	3.166	10	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:Si-4:	C(C[6a]C[6a]2)(OSi)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHHO)	O(CC[6a]HH)(SiC3)	C(C[6a]C[6a]2)(OSi)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHHO){1|C<4>,1|N<2>,1|N<3>}	O(CC[6a]HH)(SiC3)	109.1160	0.000	1	109.1160	0.000	1	110.2988	3.166	10	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:Si-4:	C(C[6a]C[6a]2)(OSi)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(SiC3)	C(C[6a]C[6a]2)(OSi)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,1|H<1>,1|N<2>}	O(CC[6a]HH)(SiC3)	110.8910	0.000	1	111.1397	0.789	3	110.2988	3.166	10	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:Si-4:	C(C[6a]C[6a]2)(OSi)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(CC[6a]HH)(SiC3)	C(C[6a]C[6a]2)(OSi)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|N<3>}	O(CC[6a]HH)(SiC3)	111.2640	1.219	2	111.1397	0.789	3	110.2988	3.166	10	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:Si-4:	C(C[6a]C[6a]2)(OSi)(H)2	C[6a](C[6a]C[6a]I)2(CHHO)	O(CC[6a]HH)(SiC3)	C(C[6a]C[6a]2)(OSi)(H)2	C[6a](C[6a]C[6a]I)2(CHHO){1|C<3>,2|C<4>}	O(CC[6a]HH)(SiC3)	109.4144	1.580	5	109.4144	2.495	5	110.2988	3.166	10	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[3]-4:C-4:	C(C[6a]C[6a]2)(OC[3])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[3]C[3]2H)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[3])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(C[3]C[3]2H)(CC[6a]HH)	110.2960	1.939	2	110.2960	3.759	2	110.2960	3.759	2	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[4,6]-4:C-4:	C(C[6a]C[6a]2)(OC[4,6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[4,6]C[4,6]C[4]O[6])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[4,6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(C[4,6]C[4,6]C[4]O[6])(CC[6a]HH)	107.0115	1.265	2	107.0115	1.600	2	107.0115	1.600	2	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[4]-4:C-4:	C(C[6a]C[6a]2)(OC[4])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[4]C[4]2H)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[4])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(C[4]C[4]2H)(CC[6a]HH)	111.6423	2.111	4	111.6423	4.457	4	111.6423	4.457	4	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,5,6]-4:C-4:	C(C[6a]C[6a]2)(OC[5,5,6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[5,5,6]C[5,5]C[5,6]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[5,5,6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(C[5,5,6]C[5,5]C[5,6]2)(CC[6a]HH)	108.1250	0.000	1	108.1250	0.000	1	108.1250	0.000	1	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,5]-4:C-4:	C(C[6a]C[6a]2)(OC[5,5])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[5,5]C[5,5]C[5]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[5,5])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(C[5,5]C[5,5]C[5]2)(CC[6a]HH)	109.5555	1.293	2	109.5555	1.673	2	109.5555	1.673	2	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-4:C-4:	C(C[6a]C[6a]2)(OC[5,6])(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(CHHO)	O(C[5,6]C[5,6,6a]C[6]O[5])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[5,6])(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(CHHO){1|O<2>,2|C<3>,3|H<1>}	O(C[5,6]C[5,6,6a]C[6]O[5])(CC[6a]HH)	116.8340	0.000	1	116.8340	0.000	1	110.0031	4.471	23	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-4:C-4:	C(C[6a]C[6a]2)(OC[5,6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[5,6]C[5,5,6]C[5,6,6]H)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[5,6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(C[5,6]C[5,5,6]C[5,6,6]H)(CC[6a]HH)	109.0403	1.462	4	109.0403	2.139	4	110.0031	4.471	23	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-4:C-4:	C(C[6a]C[6a]2)(OC[5,6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[5,6]C[5,5,6]C[5,6]C)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[5,6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(C[5,6]C[5,5,6]C[5,6]C)(CC[6a]HH)	110.2210	0.000	1	110.2210	0.000	1	110.0031	4.471	23	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-4:C-4:	C(C[6a]C[6a]2)(OC[5,6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[5,6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]HH)	109.8101	1.701	8	109.8101	2.892	8	110.0031	4.471	23	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-4:C-4:	C(C[6a]C[6a]2)(OC[5,6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[5,6]C[5,6,6]C[5]C[6])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[5,6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(C[5,6]C[5,6,6]C[5]C[6])(CC[6a]HH)	107.3710	1.409	2	107.3710	1.984	2	110.0031	4.471	23	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-4:C-4:	C(C[6a]C[6a]2)(OC[5,6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[5,6]C[5,6]2H)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[5,6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(C[5,6]C[5,6]2H)(CC[6a]HH)	110.5328	0.674	5	110.5328	0.454	5	110.0031	4.471	23	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-4:C-4:	C(C[6a]C[6a]2)(OC[5,6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[5,6]C[5,6]C[5]C[6])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[5,6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(CC[6a]HH)	110.4845	1.213	2	110.4845	1.471	2	110.0031	4.471	23	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C-4:	C(C[6a]C[6a]2)(OC[5])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO)	O(C[5]C[5]2H)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[5])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	O(C[5]C[5]2H)(CC[6a]HH)	112.8280	1.138	2	112.8280	1.296	2	110.2790	4.523	116	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C-4:	C(C[6a]C[6a]2)(OC[5])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO)	O(C[5]C[5]O[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[5])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO){1|C<3>,2|H<1>}	O(C[5]C[5]O[5]H)(CC[6a]HH)	112.6350	0.000	1	112.6350	0.000	1	110.2790	4.523	116	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C-4:	C(C[6a]C[6a]2)(OC[5])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	O(C[5]C[5,5]O[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[5])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|C<4>,2|C<3>}	O(C[5]C[5,5]O[5]H)(CC[6a]HH)	109.2780	0.696	2	109.2780	0.484	2	110.2790	4.523	116	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C-4:	C(C[6a]C[6a]2)(OC[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[5]C[4,5]C[5,5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(C[5]C[4,5]C[5,5]H)(CC[6a]HH)	111.5090	0.000	1	111.5090	0.000	1	110.2790	4.523	116	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C-4:	C(C[6a]C[6a]2)(OC[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[5]C[5,5]C[5]C)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(C[5]C[5,5]C[5]C)(CC[6a]HH)	108.5050	0.000	1	108.5050	0.000	1	110.2790	4.523	116	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C-4:	C(C[6a]C[6a]2)(OC[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	110.4616	1.925	45	110.5274	3.821	46	110.2790	4.523	116	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C-4:	C(C[6a]C[6a]2)(OC[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<4>,2|C<3>}	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	113.4870	0.000	1	110.5274	3.821	46	110.2790	4.523	116	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C-4:	C(C[6a]C[6a]2)(OC[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[5]C[5,5]O[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(C[5]C[5,5]O[5]H)(CC[6a]HH)	107.8300	0.779	3	107.8300	0.606	3	110.2790	4.523	116	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C-4:	C(C[6a]C[6a]2)(OC[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[5]C[5,6]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(C[5]C[5,6]C[5]H)(CC[6a]HH)	109.2285	0.436	6	109.2285	0.190	6	110.2790	4.523	116	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C-4:	C(C[6a]C[6a]2)(OC[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[5]C[5,6]O[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(C[5]C[5,6]O[5]H)(CC[6a]HH)	109.0275	0.626	2	109.0275	0.392	2	110.2790	4.523	116	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C-4:	C(C[6a]C[6a]2)(OC[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[5]C[5,6a]C[5]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5]2)(CC[6a]HH)	109.5840	0.506	2	109.5840	0.256	2	110.2790	4.523	116	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C-4:	C(C[6a]C[6a]2)(OC[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[5]C[5,6a]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5]H)(CC[6a]HH)	109.4980	0.000	1	109.4980	0.000	1	110.2790	4.523	116	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C-4:	C(C[6a]C[6a]2)(OC[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[5]C[5,6a]C[6a]C[5])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(C[5]C[5,6a]C[6a]C[5])(CC[6a]HH)	108.9520	0.662	2	108.9520	0.438	2	110.2790	4.523	116	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C-4:	C(C[6a]C[6a]2)(OC[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[5]C[5]2C)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(C[5]C[5]2C)(CC[6a]HH)	107.8328	0.903	4	107.8328	0.816	4	110.2790	4.523	116	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C-4:	C(C[6a]C[6a]2)(OC[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[5]C[5]2H)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|C<4>}	O(C[5]C[5]2H)(CC[6a]HH)	107.5010	0.436	2	110.6251	6.119	42	110.2790	4.523	116	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C-4:	C(C[6a]C[6a]2)(OC[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[5]C[5]2H)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(C[5]C[5]2H)(CC[6a]HH)	110.7813	2.429	40	110.6251	6.119	42	110.2790	4.523	116	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C-4:	C(C[6a]C[6a]2)(OC[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[5]C[5]O[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(C[5]C[5]O[5]H)(CC[6a]HH)	110.1730	0.000	1	110.1730	0.000	1	110.2790	4.523	116	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-4:C-4:	C(C[6a]C[6a]2)(OC[6,6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[6,6]C[3x6]2H)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6,6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(C[6,6]C[3x6]2H)(CC[6a]HH)	109.9808	2.119	6	109.9808	4.490	6	110.7663	5.781	12	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-4:C-4:	C(C[6a]C[6a]2)(OC[6,6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[6,6]C[3x6]C[6,6]C)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6,6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(C[6,6]C[3x6]C[6,6]C)(CC[6a]HH)	109.1755	1.264	2	109.1755	1.597	2	110.7663	5.781	12	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-4:C-4:	C(C[6a]C[6a]2)(OC[6,6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[6,6]C[3x6]C[6,6]H)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6,6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(C[6,6]C[3x6]C[6,6]H)(CC[6a]HH)	111.4670	2.927	2	111.4670	8.570	2	110.7663	5.781	12	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-4:C-4:	C(C[6a]C[6a]2)(OC[6,6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[6,6]C[6,6]2H)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6,6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(C[6,6]C[6,6]2H)(CC[6a]HH)	114.0130	0.383	2	114.0130	0.147	2	110.7663	5.781	12	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:	C(C[6a]C[6a]2)(OC[6])(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHHO)	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6])(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHHO){1|H<1>,2|C<3>}	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	108.6550	0.000	1	108.6550	0.000	1	109.6752	3.850	334	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:	C(C[6a]C[6a]2)(OC[6])(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHHO)	O(C[6]C[6]O[6]H)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6])(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHHO){1|H<1>,2|C<3>}	O(C[6]C[6]O[6]H)(CC[6a]HH)	109.7620	3.244	2	109.7620	10.525	2	109.6752	3.850	334	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:	C(C[6a]C[6a]2)(OC[6])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO)	O(C[6]C[6]O[6]H)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	O(C[6]C[6]O[6]H)(CC[6a]HH)	110.1830	0.000	1	110.1830	0.000	1	109.6752	3.850	334	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:	C(C[6a]C[6a]2)(OC[6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[6]C[3,6]C[5,6]H)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(C[6]C[3,6]C[5,6]H)(CC[6a]HH)	108.8963	0.973	4	108.8963	0.946	4	109.6752	3.850	334	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:	C(C[6a]C[6a]2)(OC[6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[6]C[3,6]C[6,6]H)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(C[6]C[3,6]C[6,6]H)(CC[6a]HH)	110.9340	0.000	1	110.9340	0.000	1	109.6752	3.850	334	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:	C(C[6a]C[6a]2)(OC[6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[6]C[3,6]C[6]H)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(C[6]C[3,6]C[6]H)(CC[6a]HH)	109.8135	0.568	4	109.8135	0.322	4	109.6752	3.850	334	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:	C(C[6a]C[6a]2)(OC[6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[6]C[4,6]C[6]H)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(C[6]C[4,6]C[6]H)(CC[6a]HH)	109.2933	0.055	4	109.2933	0.003	4	109.6752	3.850	334	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:	C(C[6a]C[6a]2)(OC[6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[6]C[5,6]2H)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(C[6]C[5,6]2H)(CC[6a]HH)	107.8140	0.000	1	107.8140	0.000	1	109.6752	3.850	334	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:	C(C[6a]C[6a]2)(OC[6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[6]C[5,6]C[6,6]H)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(C[6]C[5,6]C[6,6]H)(CC[6a]HH)	108.9830	0.000	1	108.9830	0.000	1	109.6752	3.850	334	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:	C(C[6a]C[6a]2)(OC[6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	109.7061	2.154	40	109.7061	4.639	40	109.6752	3.850	334	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:	C(C[6a]C[6a]2)(OC[6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[6]C[5a,6]C[6]H)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(C[6]C[5a,6]C[6]H)(CC[6a]HH)	108.2310	0.000	1	108.2310	0.000	1	109.6752	3.850	334	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:	C(C[6a]C[6a]2)(OC[6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[6]C[6,6]2H)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(C[6]C[6,6]2H)(CC[6a]HH)	109.8730	0.539	4	109.8730	0.290	4	109.6752	3.850	334	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:	C(C[6a]C[6a]2)(OC[6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[6]C[6,6]C[6]C)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,1|C<4>,1|H<1>}	O(C[6]C[6,6]C[6]C)(CC[6a]HH)	107.2680	0.000	1	108.2560	1.384	4	109.6752	3.850	334	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:	C(C[6a]C[6a]2)(OC[6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[6]C[6,6]C[6]C)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(C[6]C[6,6]C[6]C)(CC[6a]HH)	108.5853	1.194	3	108.2560	1.384	4	109.6752	3.850	334	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:	C(C[6a]C[6a]2)(OC[6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	109.6488	1.722	25	109.6488	2.964	25	109.6752	3.850	334	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:	C(C[6a]C[6a]2)(OC[6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[6]C[6,6a]C[6]H)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6]H)(CC[6a]HH)	112.7770	0.232	2	112.7770	0.054	2	109.6752	3.850	334	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:	C(C[6a]C[6a]2)(OC[6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[6]C[6]2C)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(C[6]C[6]2C)(CC[6a]HH)	108.2620	0.000	1	108.2620	0.000	1	109.6752	3.850	334	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:	C(C[6a]C[6a]2)(OC[6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[6]C[6]2H)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	109.6577	1.991	221	109.6577	3.965	221	109.6752	3.850	334	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:	C(C[6a]C[6a]2)(OC[6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[6]C[6]N[6]H)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(C[6]C[6]N[6]H)(CC[6a]HH)	112.3690	0.000	1	112.3690	0.000	1	109.6752	3.850	334	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:	C(C[6a]C[6a]2)(OC[6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[6]C[6]O[6]H)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(C[6]C[6]O[6]H)(CC[6a]HH)	110.2620	2.438	15	110.1659	5.697	16	109.6752	3.850	334	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:	C(C[6a]C[6a]2)(OC[6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(C[6]C[6]O[6]H)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|O<2>}	O(C[6]C[6]O[6]H)(CC[6a]HH)	108.7250	0.000	1	110.1659	5.697	16	109.6752	3.850	334	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	P-4:C-4:	C(C[6a]C[6a]2)(OP)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHO)	O(PC[6a]2Pd)(CC[6a]HH)	C(C[6a]C[6a]2)(OP)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHO){1|H<1>,2|C<3>}	O(PC[6a]2Pd)(CC[6a]HH)	113.1280	0.000	1	113.1280	0.000	1	113.1280	0.000	1	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	Si-4:C-4:	C(C[6a]C[6a]2)(OSi)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CHHO)	O(SiC[6a]2C)(CC[6a]HH)	C(C[6a]C[6a]2)(OSi)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CHHO){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(SiC[6a]2C)(CC[6a]HH)	110.6890	1.308	2	110.6890	1.711	2	110.5829	1.457	7	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	Si-4:C-4:	C(C[6a]C[6a]2)(OSi)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHO)	O(SiC[6a]2C)(CC[6a]HH)	C(C[6a]C[6a]2)(OSi)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHO){1|N<3>,1|O<1>}	O(SiC[6a]2C)(CC[6a]HH)	111.3970	0.000	1	111.3970	0.000	1	110.5829	1.457	7	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	Si-4:C-4:	C(C[6a]C[6a]2)(OSi)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CHHO)	O(SiC[6a]2C)(CC[6a]HH)	C(C[6a]C[6a]2)(OSi)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CHHO){1|N<2>,2|H<1>}	O(SiC[6a]2C)(CC[6a]HH)	109.1560	0.000	1	109.1560	0.000	1	110.5829	1.457	7	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	Si-4:C-4:	C(C[6a]C[6a]2)(OSi)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(SiC[6a]2C)(CC[6a]HH)	C(C[6a]C[6a]2)(OSi)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(SiC[6a]2C)(CC[6a]HH)	111.4990	0.762	2	111.4990	0.581	2	110.5829	1.457	7	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	Si-4:C-4:	C(C[6a]C[6a]2)(OSi)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(SiC[6a]CO)(CC[6a]HH)	C(C[6a]C[6a]2)(OSi)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(SiC[6a]CO)(CC[6a]HH)	109.1510	0.000	1	109.1510	0.000	1	110.5829	1.457	7	110.1592	5.170	1310	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:1:1:	3:3:4:	5:4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	Ga[5,6,6]-5:C-4:	C(C[6a]C[6a]2)(OGa[5,6,6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	O(Ga[5,6,6]N[5,6]2O[6]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OGa[5,6,6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	O(Ga[5,6,6]N[5,6]2O[6]2)(CC[6a]HH)	111.5300	0.000	1	111.5300	0.000	1	111.5300	0.000	1	111.5300	0.000	1	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:2:1:	2:3:4:	4:4:	C[6a]-3:O-2:O-2:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]N[6a])(OC)2(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHOO)	O(CC[6a]HO)(CCHH)	C(C[6a]C[6a]N[6a])(OC)2(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHOO){1|H<1>,2|C<3>}	O(CC[6a]HO)(CCHH)	107.8840	3.919	2	107.8840	15.357	2	108.6438	9.411	6	108.6438	9.411	6	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:2:1:	2:3:4:	4:4:	C[6a]-3:O-2:O-2:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]N[6a])(OC)2(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CHOO)	O(CC[6a]HO)(CH3)	C(C[6a]C[6a]N[6a])(OC)2(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CHOO){1|C<3>,1|N<2>}	O(CC[6a]HO)(CH3)	109.0238	3.160	4	109.0238	9.988	4	108.6438	9.411	6	108.6438	9.411	6	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:2:1:	3:2:4:	4:4:	C[6a]-3:O-2:O-2:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:	C(C[6a]C[6a]N[6a])(OC)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHOO)	O(CC[6a]HO)(CH3)	C(C[6a]C[6a]N[6a])(OC)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHOO){1|C<3>,2|H<1>}	O(CC[6a]HO)(CH3)	110.6070	4.138	2	110.6070	17.123	2	110.7145	7.705	4	110.7145	7.705	4	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:2:1:	3:2:4:	4:4:	C[6a]-3:O-2:O-2:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:	C(C[6a]C[6a]N[6a])(OC)2(H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(CHOO)	O(CC[6a]HO)(CH3)	C(C[6a]C[6a]N[6a])(OC)2(H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(CHOO){4|C<3>}	O(CC[6a]HO)(CH3)	110.8220	2.438	2	110.8220	5.944	2	110.7145	7.705	4	110.7145	7.705	4	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:2:1:	3:3:4:	3:4:	C[6a]-3:O-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	N[6]-3:C-4:	C(C[6a]C[6a]2)(ON[6])(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHOO)	O(N[6]C[6]2)(CC[6a]HO)	C(C[6a]C[6a]2)(ON[6])(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHOO){1|C<3>,2|H<1>}	O(N[6]C[6]2)(CC[6a]HO)	109.1940	0.000	1	109.1940	0.000	1	109.1940	0.000	1	109.1940	0.000	1	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:2:1:	3:3:4:	4:1:	C[6a]-3:C-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC)(OH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC)(OH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(CCHO){1|H<1>,1|O<2>,3|C<3>}	O(CC[6a]CH)(H)	109.7383	0.922	3	110.0127	0.868	4	109.6060	3.613	9	109.6878	4.072	11	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:2:1:	3:3:4:	4:1:	C[6a]-3:C-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC)(OH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC)(OH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(CCHO){2|O<2>,3|C<3>}	O(CC[6a]CH)(H)	110.8360	0.000	1	110.0127	0.868	4	109.6060	3.613	9	109.6878	4.072	11	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:2:1:	3:3:4:	4:1:	C[6a]-3:C-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC)(OH)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC)(OH)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CCHO){1|H<1>,2|C<3>}	O(CC[6a]CH)(H)	109.2490	0.000	1	109.2490	0.000	1	109.6060	3.613	9	109.6878	4.072	11	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:2:1:	3:3:4:	4:1:	C[6a]-3:C-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC)(OH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC)(OH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHO){1|H<1>,2|C<3>}	O(CC[6a]CH)(H)	110.3270	0.000	1	110.3270	0.000	1	109.6060	3.613	9	109.6878	4.072	11	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:2:1:	3:3:4:	4:1:	C[6a]-3:C-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	111.9780	0.000	1	111.9780	0.000	1	109.6060	3.613	9	109.6878	4.072	11	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:2:1:	3:3:4:	4:1:	C[6a]-3:C-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	105.2060	0.000	1	105.2060	0.000	1	109.6060	3.613	9	109.6878	4.072	11	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:2:1:	3:3:4:	4:1:	C[6a]-3:C-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CN)(OH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CN)(OH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	109.6430	0.000	1	109.6430	0.000	1	109.6060	3.613	9	109.6878	4.072	11	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:2:1:	3:3:4:	4:1:	C[6a]-3:O-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(OH)2(H)	C[6a](C[6a]C[6a]H)2(CHOO)	O(CC[6a]HO)(H)	C(C[6a]C[6a]2)(OH)2(H)	C[6a](C[6a]C[6a]H)2(CHOO){1|N<2>,2|H<1>}	O(CC[6a]HO)(H)	110.0560	3.390	2	110.0560	11.491	2	110.0560	11.491	2	109.6878	4.072	11	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:2:1:	3:3:4:	4:2:	C[6a]-3:O-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:	C(C[6a]C[6a]2)(OO)2(H)	C[6a](C[6a]C[6a]H)2(CHOO)	O(CC[6a]HO)(OH)	C(C[6a]C[6a]2)(OO)2(H)	C[6a](C[6a]C[6a]H)2(CHOO){1|C<3>,2|H<1>}	O(CC[6a]HO)(OH)	110.7060	4.081	2	110.7060	16.658	2	110.7060	16.658	2	110.7060	16.658	2	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:C-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CC)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CC[5]HH)	C(C[6a]C[6a]2)(CC)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CC[5]HH)	107.5060	0.000	1	107.5060	0.000	1	108.6375	2.561	2	110.2369	7.019	32	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:C-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CN)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CC[6a]3)	C(C[6a]C[6a]2)(CN)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CC[6a]3)	109.7690	0.000	1	109.7690	0.000	1	108.6375	2.561	2	110.2369	7.019	32	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O-2:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:	C(C[6a]C[6a]2)(OC[6])(CN)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(C[6]C[6]O[6]H)(CC[6a]CH)	C(C[6a]C[6a]2)(OC[6])(CN)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(C[6]C[6]O[6]H)(CC[6a]CH)	110.0330	3.107	2	110.0330	9.654	2	110.0330	9.654	2	110.2369	7.019	32	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O-2:O-2:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[5a,6a]C[6a])(OC)2(H)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CHOO)	O(CC[6a]HO)(CH3)	C(C[6a]C[5a,6a]C[6a])(OC)2(H)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CHOO){2|C<3>,2|N<2>}	O(CC[6a]HO)(CH3)	110.2200	3.438	2	110.2200	11.820	2	110.2200	11.820	2	110.2369	7.019	32	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O-2:O-2:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a,6a]2)(OC)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHOO)	O(CC[6a]HO)(CH3)	C(C[6a]C[6a,6a]2)(OC)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHOO){2|H<1>,5|C<3>}	O(CC[6a]HO)(CH3)	110.4320	4.018	2	110.4320	16.143	2	110.4320	16.143	2	110.2369	7.019	32	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)2(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHOO)	O(CC[6a]HO)(CH3)	C(C[6a]C[6a]2)(OC)2(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHOO){1|C<3>,1|H<1>,1|N<2>}	O(CC[6a]HO)(CH3)	108.9975	6.420	2	108.9975	41.214	2	110.3723	7.465	24	110.2369	7.019	32	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)2(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CHOO)	O(CC[6a]HO)(CH3)	C(C[6a]C[6a]2)(OC)2(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CHOO){2|C<3>}	O(CC[6a]HO)(CH3)	109.1750	4.062	3	109.1750	16.497	3	110.3723	7.465	24	110.2369	7.019	32	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHOO)	O(CC[6a]HO)(CH3)	C(C[6a]C[6a]2)(OC)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHOO){1|C<3>,2|H<1>}	O(CC[6a]HO)(CH3)	111.4120	2.998	2	111.4120	8.989	2	110.3723	7.465	24	110.2369	7.019	32	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHOO)	O(CC[6a]HO)(CCHH)	C(C[6a]C[6a]2)(OC)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHOO){1|Br<1>,1|C<3>,1|H<1>}	O(CC[6a]HO)(CCHH)	110.0990	3.905	2	110.0990	15.246	2	110.3723	7.465	24	110.2369	7.019	32	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHOO)	O(CC[6a]HO)(CH3)	C(C[6a]C[6a]2)(OC)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHOO){1|C<4>,2|C<3>}	O(CC[6a]HO)(CH3)	110.5310	3.647	2	110.5310	13.302	2	110.3723	7.465	24	110.2369	7.019	32	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)2(H)	C[6a](C[6a]C[6a]H)2(CHOO)	O(CC[6a]CC)(CC[6a]HO)	C(C[6a]C[6a]2)(OC)2(H)	C[6a](C[6a]C[6a]H)2(CHOO){1|C<3>,2|H<1>}	O(CC[6a]CC)(CC[6a]HO)	107.7060	0.000	1	107.7060	0.000	1	110.3723	7.465	24	110.2369	7.019	32	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)2(H)	C[6a](C[6a]C[6a]H)2(CHOO)	O(CC[6a]HO)(CCHH)	C(C[6a]C[6a]2)(OC)2(H)	C[6a](C[6a]C[6a]H)2(CHOO){1|C<3>,2|H<1>}	O(CC[6a]HO)(CCHH)	111.6313	1.934	6	111.6313	3.739	6	110.3723	7.465	24	110.2369	7.019	32	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)2(H)	C[6a](C[6a]C[6a]H)2(CHOO)	O(CC[6a]HO)(CH3)	C(C[6a]C[6a]2)(OC)2(H)	C[6a](C[6a]C[6a]H)2(CHOO){1|C<3>,2|H<1>}	O(CC[6a]HO)(CH3)	110.8150	3.050	2	110.8150	9.305	2	110.3723	7.465	24	110.2369	7.019	32	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC[6a])(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHOO)	O(CC[6a]HO)(CH3)	C(C[6a]C[6a]2)(OC[6a])(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHOO){1|C<3>,2|H<1>}	O(CC[6a]HO)(CH3)	108.8410	0.000	1	108.8410	0.000	1	110.3723	7.465	24	110.2369	7.019	32	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC[6a])(OC)(H)	C[6a](C[6a]C[6a]H)2(CHOO)	O(CC[6a]HO)(CC3)	C(C[6a]C[6a]2)(OC[6a])(OC)(H)	C[6a](C[6a]C[6a]H)2(CHOO){1|C<3>,2|H<1>}	O(CC[6a]HO)(CC3)	111.0455	0.217	2	111.0455	0.047	2	110.3723	7.465	24	110.2369	7.019	32	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(ON[6])(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHOO)	O(CC[6a]HO)(CH3)	C(C[6a]C[6a]2)(ON[6])(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHOO){1|C<3>,2|H<1>}	O(CC[6a]HO)(CH3)	109.2750	0.000	1	109.2750	0.000	1	110.3723	7.465	24	110.2369	7.019	32	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:3:1:	3:3:4:	3:4:	C[6a]-3:O-2:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	N[6]-3:C-4:	C(C[6a]C[6a]2)(ON[6])(COO)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(N[6]C[6]2)(CC[6a]CH)	C(C[6a]C[6a]2)(ON[6])(COO)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(N[6]C[6]2)(CC[6a]CH)	111.2520	0.000	1	111.2520	0.000	1	111.2520	0.000	1	111.2520	0.000	1	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:3:1:	3:3:4:	4:4:	C[6a]-3:O-2:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C-4:	C(C[6a]C[6a]2)(OC[5])(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(C[5]C[5]O[5]C)(CC[6a]CH)	C(C[6a]C[6a]2)(OC[5])(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,1|H<1>,1|O<2>}	O(C[5]C[5]O[5]C)(CC[6a]CH)	111.2340	0.000	1	111.2340	0.000	1	111.2340	0.000	1	109.3653	1.657	6	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:3:1:	3:3:4:	4:4:	C[6a]-3:O-2:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:	C(C[6a]C[6a]2)(OC[6])(COO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHO)	O(C[6]C[6]2H)(CC[6a]CH)	C(C[6a]C[6a]2)(OC[6])(COO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHO){1|H<1>,2|C<3>}	O(C[6]C[6]2H)(CC[6a]CH)	108.9916	1.012	5	108.9916	1.024	5	108.9916	1.024	5	109.3653	1.657	6	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:4:1:	3:3:4:	3:4:	C[6a]-3:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5]-3:C-4:	C(C[6a]C[6a]2)(ON[5])(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(N[5]C[5]2)(CC[6a]CH)	C(C[6a]C[6a]2)(ON[5])(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(N[5]C[5]2)(CC[6a]CH)	112.4860	0.000	1	112.4860	0.000	1	109.9838	19.189	4	111.6531	11.840	8	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:4:1:	3:3:4:	3:4:	C[6a]-3:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5]-3:C-4:	C(C[6a]C[6a]2)(ON[5])(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(N[5]B[5]P[5])(CC[6a]CH)	C(C[6a]C[6a]2)(ON[5])(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(N[5]B[5]P[5])(CC[6a]CH)	103.5340	0.000	1	103.5340	0.000	1	109.9838	19.189	4	111.6531	11.840	8	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:4:1:	3:3:4:	3:4:	C[6a]-3:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5]-3:C-4:	C(C[6a]C[6a]2)(ON[5])(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(N[5]C[5,6]C[5])(CC[6a]CH)	C(C[6a]C[6a]2)(ON[5])(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(N[5]C[5,6]C[5])(CC[6a]CH)	110.9790	0.000	1	110.9790	0.000	1	109.9838	19.189	4	111.6531	11.840	8	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:4:1:	3:3:4:	3:4:	C[6a]-3:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5]-3:C-4:	C(C[6a]C[6a]2)(ON[5])(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(N[5]C[5]2)(CC[6a]CH)	C(C[6a]C[6a]2)(ON[5])(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(N[5]C[5]2)(CC[6a]CH)	112.9360	0.000	1	112.9360	0.000	1	109.9838	19.189	4	111.6531	11.840	8	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:4:1:	3:3:4:	3:4:	C[6a]-3:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	N[6]-3:C-4:	C(C[6a]C[6a]2)(ON[6])(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(N[6]C[6]2)(CC[6a]CH)	C(C[6a]C[6a]2)(ON[6])(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(N[6]C[6]2)(CC[6a]CH)	113.3640	0.528	2	113.3640	0.278	2	113.3225	1.006	4	111.6531	11.840	8	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:4:1:	3:3:4:	3:4:	C[6a]-3:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	N[6]-3:C-4:	C(C[6a]C[6a]2)(ON[6])(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(N[6]C[6]2)(CC[6a]CH)	C(C[6a]C[6a]2)(ON[6])(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(N[6]C[6]2)(CC[6a]CH)	113.2810	1.653	2	113.2810	2.733	2	113.3225	1.006	4	111.6531	11.840	8	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:4:1:	3:3:4:	4:4:	C[6a]-3:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[3]-4:C-4:	C(C[6a]C[6a]2)(OC[3])(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(C[3]C[3]2H)(CC[6a]CH)	C(C[6a]C[6a]2)(OC[3])(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(C[3]C[3]2H)(CC[6a]CH)	108.3587	2.953	3	108.3587	8.719	3	108.3587	8.719	3	110.9479	7.478	17	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:4:1:	3:3:4:	4:4:	C[6a]-3:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[4]-4:C-4:	C(C[6a]C[6a]2)(OC[4])(CH3)(H)	C[6a](C[6a]C[6a]C)2(CCHO)	O(C[4]C[4,6]C[4]H)(CC[6a]CH)	C(C[6a]C[6a]2)(OC[4])(CH3)(H)	C[6a](C[6a]C[6a]C)2(CCHO){1|C<3>,2|H<1>}	O(C[4]C[4,6]C[4]H)(CC[6a]CH)	107.8940	0.000	1	107.8940	0.000	1	107.8940	0.000	1	110.9479	7.478	17	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:4:1:	3:3:4:	4:4:	C[6a]-3:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6,6]-4:C-4:	C(C[6a]C[6a]2)(OC[5,6,6])(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(C[5,6,6]C[5,3x6]C[6,6]O[5])(CC[6a]CH)	C(C[6a]C[6a]2)(OC[5,6,6])(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(C[5,6,6]C[5,3x6]C[6,6]O[5])(CC[6a]CH)	107.9670	0.000	1	107.9670	0.000	1	107.9670	0.000	1	110.9479	7.478	17	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:4:1:	3:3:4:	4:4:	C[6a]-3:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C-4:	C(C[6a]C[6a]2)(OC[5])(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO)	O(C[5]C[5]N[5]H)(CC[6a]CH)	C(C[6a]C[6a]2)(OC[5])(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	O(C[5]C[5]N[5]H)(CC[6a]CH)	112.3885	1.404	2	112.3885	1.970	2	112.4977	1.021	3	110.9479	7.478	17	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:4:1:	3:3:4:	4:4:	C[6a]-3:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C-4:	C(C[6a]C[6a]2)(OC[5])(CH3)(H)	C[6a](C[6a]C[6a]C)2(CCHO)	O(C[5]C[5]2H)(CC[6a]CH)	C(C[6a]C[6a]2)(OC[5])(CH3)(H)	C[6a](C[6a]C[6a]C)2(CCHO){1|C<3>,2|H<1>}	O(C[5]C[5]2H)(CC[6a]CH)	112.7160	0.000	1	112.7160	0.000	1	112.4977	1.021	3	110.9479	7.478	17	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:4:1:	3:3:4:	4:4:	C[6a]-3:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:	C(C[6a]C[6a]2)(OC[6])(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHO)	O(C[6]C[6]2H)(CC[6a]CH)	C(C[6a]C[6a]2)(OC[6])(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHO){1|C<3>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]CH)	111.2000	0.000	1	111.2000	0.000	1	112.3690	4.796	8	110.9479	7.478	17	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:4:1:	3:3:4:	4:4:	C[6a]-3:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:	C(C[6a]C[6a]2)(OC[6])(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(C[6]C[6]O[6]H)(CC[6a]CH)	C(C[6a]C[6a]2)(OC[6])(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(C[6]C[6]O[6]H)(CC[6a]CH)	111.1380	0.000	1	111.1380	0.000	1	112.3690	4.796	8	110.9479	7.478	17	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:4:1:	3:3:4:	4:4:	C[6a]-3:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:	C(C[6a]C[6a]2)(OC[6])(CH3)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHO)	O(C[6]C[6]2H)(CC[6a]CH)	C(C[6a]C[6a]2)(OC[6])(CH3)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHO){1|N<2>,1|O<2>,3|C<3>}	O(C[6]C[6]2H)(CC[6a]CH)	109.9900	0.000	1	109.9900	0.000	1	112.3690	4.796	8	110.9479	7.478	17	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:4:1:	3:3:4:	4:4:	C[6a]-3:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:	C(C[6a]C[6a]2)(OC[6])(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO)	O(C[6]C[6]2H)(CC[6a]CH)	C(C[6a]C[6a]2)(OC[6])(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]CH)	114.3330	0.211	4	114.3330	0.044	4	112.3690	4.796	8	110.9479	7.478	17	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:4:1:	3:3:4:	4:4:	C[6a]-3:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:	C(C[6a]C[6a]2)(OC[6])(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(C[6]C[6]O[6]H)(CC[6a]CH)	C(C[6a]C[6a]2)(OC[6])(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|C<4>}	O(C[6]C[6]O[6]H)(CC[6a]CH)	109.2920	0.000	1	109.2920	0.000	1	112.3690	4.796	8	110.9479	7.478	17	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:4:1:	3:3:4:	4:4:	C[6a]-3:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	P[5]-4:C-4:	C(C[6a]C[6a]2)(OP[5])(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(P[5]N[5]2Pd)(CC[6a]CH)	C(C[6a]C[6a]2)(OP[5])(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(P[5]N[5]2Pd)(CC[6a]CH)	108.7320	0.000	1	108.7320	0.000	1	108.7320	0.000	1	110.9479	7.478	17	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:4:2:	3:3:4:	4:4:	C[6a]-3:O-2:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC[6a])(CCHH)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCOO)	O(CC[6a]CO)(CCCH)	C(C[6a]C[6a]2)(OC[6a])(CCHH)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCOO){1|C<3>,1|C<4>,1|O<2>}	O(CC[6a]CO)(CCCH)	114.4700	0.427	2	114.4700	0.182	2	114.4700	0.182	2	114.4700	0.182	2	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:2:4:4:	3:3:4:	3:4:	C[6a]-3:O-2:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	N[6]-3:C-4:	C(C[6a]C[6a]2)(ON[6])(CF3)(CH3)	C[6a](C[6a]C[6a]H)2(CCCO)	O(N[6]C[6]2)(CC[6a]CC)	C(C[6a]C[6a]2)(ON[6])(CF3)(CH3)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(N[6]C[6]2)(CC[6a]CC)	109.5370	0.000	1	109.5370	0.000	1	109.5370	0.000	1	109.5370	0.000	1	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:2:4:	4:1:	C[5a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:H-1:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(OH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]HO)	O(CC[5a]C[6a]H)(H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(OH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]HO){1|C<3>,2|H<1>}	O(CC[5a]C[6a]H)(H)	109.7760	0.000	1	109.7760	0.000	1	108.4010	3.781	2	108.8385	3.701	15	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:2:4:	4:1:	C[5a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:H-1:	C(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(OH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]HO)	O(CC[5a]C[6a]H)(H)	C(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(OH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]HO){1|C<3>,2|H<1>}	O(CC[5a]C[6a]H)(H)	107.0260	0.000	1	107.0260	0.000	1	108.4010	3.781	2	108.8385	3.701	15	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:2:4:	4:1:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:H-1:	C(C[6a]C[6a]N[6a])(CNO)(OH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]N[6a])(CNO)(OH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	107.8120	0.000	1	107.8120	0.000	1	107.8120	0.000	1	108.8385	3.701	15	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:2:4:	4:1:	C[6a]-3:C[5]-3:O-2:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:H-1:	C(C[6a]C[6a]N[6a])(C[5]C[5]2)(OH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HO)	O(CC[6a]C[5]H)(H)	C(C[6a]C[6a]N[6a])(C[5]C[5]2)(OH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HO){1|C<3>,2|H<1>}	O(CC[6a]C[5]H)(H)	109.6520	0.000	1	109.6520	0.000	1	109.6520	0.000	1	108.8385	3.701	15	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:2:4:	4:1:	C[6a]-3:C[6a]-3:O-2:H-1:	C[5a,6a]-3:N[6a]-2:C-4:	C-4:H-1:	C(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(CC[6a]HO)	O(CC[6a]2H)(H)	C(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(CC[6a]HO){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	O(CC[6a]2H)(H)	110.6730	0.000	1	110.6730	0.000	1	110.6730	0.000	1	108.8385	3.701	15	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:2:4:	4:1:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a,6a]-3:N[6a]-2:C-4:	C-4:H-1:	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CC[6a]HO)	O(CC[6a]2H)(H)	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CC[6a]HO){1|H<1>,4|C<3>}	O(CC[6a]2H)(H)	109.4610	0.288	2	109.4610	0.083	2	109.4610	0.083	2	108.8385	3.701	15	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:2:4:	4:1:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:H-1:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HO)	O(CC[6a]2H)(H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HO){1|C<3>,2|H<1>}	O(CC[6a]2H)(H)	108.7399	2.580	7	108.7399	6.658	7	108.7399	6.658	7	108.8385	3.701	15	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:2:4:	4:1:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:O[6a]-2:C-4:	C-4:H-1:	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CC[6a]HO)	O(CC[6a]2H)(H)	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CC[6a]HO){1|C<3>,1|H<1>,1|O<1>}	O(CC[6a]2H)(H)	107.5380	0.000	1	107.5380	0.000	1	107.5380	0.000	1	108.8385	3.701	15	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:2:4:	4:4:	C[6a]-3:C-3:O-2:H-1:	N[6a]-3:N[6a]-2:C-4:	C-4:C-4:	C(C[6a]N[6a]2)(CCO)(OC)(H)	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a,6a])(CCHO)	O(CC[6a]CH)(CC[6a]HH)	C(C[6a]N[6a]2)(CCO)(OC)(H)	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a,6a])(CCHO){3|C<3>}	O(CC[6a]CH)(CC[6a]HH)	111.4313	0.353	4	111.4313	0.125	4	111.4313	0.125	4	111.4313	0.125	4	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	3:4:	C[6a]-3:N-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	N[6]-3:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(ON[6])(H)	C[6a](C[6a]C[6a]H)2(CHNO)	O(N[6]C[6]2)(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]C)(ON[6])(H)	C[6a](C[6a]C[6a]H)2(CHNO){1|C<3>,2|H<1>}	O(N[6]C[6]2)(CC[6a]HN)	110.3640	0.000	1	110.3640	0.000	1	110.3640	0.000	1	110.3640	0.000	1	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:1:	C[5]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[5]N[5,5]N[5])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	O(CC[6a]C[5]H)(H)	C(C[5]N[5,5]N[5])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO){1|C<3>,2|H<1>}	O(CC[6a]C[5]H)(H)	109.6733	0.315	3	109.6733	0.099	3	109.6733	0.099	3	110.4709	3.887	300	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:1:	C[5a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HO)	O(CC[5a]C[6a]H)(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HO){1|C<3>,2|H<1>}	O(CC[5a]C[6a]H)(H)	110.4270	2.330	4	110.4270	5.430	4	110.7863	3.588	6	110.4709	3.887	300	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:1:	C[5a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HO)	O(CC[5a]C[6a]H)(H)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HO){1|C<3>,2|H<1>}	O(CC[5a]C[6a]H)(H)	111.7270	0.000	1	111.7270	0.000	1	110.7863	3.588	6	110.4709	3.887	300	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:1:	C[5a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CC[5a]HO)	O(CC[5a]C[6a]H)(H)	C(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CC[5a]HO){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	O(CC[5a]C[6a]H)(H)	111.2830	0.000	1	111.2830	0.000	1	110.7863	3.588	6	110.4709	3.887	300	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CBrC)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CBrC)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	109.1570	0.000	1	109.1570	0.000	1	110.6751	3.824	204	110.4709	3.887	300	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCC)(OH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCC)(OH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CCHO){2|C<3>}	O(CC[6a]CH)(H)	106.8013	0.396	3	106.8013	0.157	3	110.6751	3.824	204	110.4709	3.887	300	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCC)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCC)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	108.5650	0.000	1	108.5650	0.000	1	110.6751	3.824	204	110.4709	3.887	300	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCC)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCC)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	109.5837	1.401	3	109.5837	1.962	3	110.6751	3.824	204	110.4709	3.887	300	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCC)(OH)(H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCC)(OH)(H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CCHO){1|C<3>,1|C<4>}	O(CC[6a]CH)(H)	108.9283	1.260	3	108.3150	1.508	5	110.6751	3.824	204	110.4709	3.887	300	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCC)(OH)(H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCC)(OH)(H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CCHO){2|C<3>}	O(CC[6a]CH)(H)	107.3950	0.185	2	108.3150	1.508	5	110.6751	3.824	204	110.4709	3.887	300	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	110.8427	0.919	4	110.8427	0.844	4	110.6751	3.824	204	110.4709	3.887	300	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCN)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCN)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	108.7890	0.000	1	108.7890	0.000	1	110.6751	3.824	204	110.4709	3.887	300	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCO)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCO)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	112.9520	0.000	1	112.9520	0.000	1	110.6751	3.824	204	110.4709	3.887	300	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	109.1590	0.000	1	109.1590	0.000	1	110.6751	3.824	204	110.4709	3.887	300	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCP)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCP)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	109.9270	3.091	2	109.9270	9.557	2	110.6751	3.824	204	110.4709	3.887	300	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCS)(OH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCS)(OH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	112.9420	0.000	1	112.9420	0.000	1	110.6751	3.824	204	110.4709	3.887	300	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCS)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCS)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	111.8420	0.000	1	111.8420	0.000	1	110.6751	3.824	204	110.4709	3.887	300	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[5a]C)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[5a]C)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCHO){1|C<3>,1|H<1>}	O(CC[6a]CH)(H)	107.4150	0.000	1	107.4150	0.000	1	110.6751	3.824	204	110.4709	3.887	300	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[5a]O)(OH)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[5a]O)(OH)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCHO){1|H<1>,2|C<3>}	O(CC[6a]CH)(H)	109.5020	0.000	1	109.5020	0.000	1	110.6751	3.824	204	110.4709	3.887	300	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6]C)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6]C)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	107.4830	0.000	1	107.4830	0.000	1	110.6751	3.824	204	110.4709	3.887	300	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]C)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]C)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	110.0845	1.225	2	110.0845	1.502	2	110.6751	3.824	204	110.4709	3.887	300	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]C)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]C)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]CH)(H)	110.1965	0.200	2	109.6920	0.784	3	110.6751	3.824	204	110.4709	3.887	300	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]C)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]C)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	108.6830	0.000	1	109.6920	0.784	3	110.6751	3.824	204	110.4709	3.887	300	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]N)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]N)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	109.6192	3.122	4	109.6192	9.746	4	110.6751	3.824	204	110.4709	3.887	300	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CNO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CNO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	112.0422	0.605	5	112.0422	0.366	5	110.6751	3.824	204	110.4709	3.887	300	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(COO)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(COO)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	109.2845	1.175	2	109.2845	1.379	2	110.6751	3.824	204	110.4709	3.887	300	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(COO)(OH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(COO)(OH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	110.4944	1.385	5	110.4944	1.919	5	110.6751	3.824	204	110.4709	3.887	300	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(COO)(OH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(COO)(OH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	113.1170	1.314	3	113.1170	1.727	3	110.6751	3.824	204	110.4709	3.887	300	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(COO)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(COO)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	112.6020	0.000	1	112.6020	0.000	1	110.6751	3.824	204	110.4709	3.887	300	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(COO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(COO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|Br<1>,1|C<3>,1|H<1>}	O(CC[6a]CH)(H)	110.9520	1.612	7	110.9564	3.472	147	110.6751	3.824	204	110.4709	3.887	300	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(COO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(COO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]CH)(H)	111.1062	1.118	6	110.9564	3.472	147	110.6751	3.824	204	110.4709	3.887	300	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(COO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(COO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,1|F<1>,1|H<1>}	O(CC[6a]CH)(H)	110.3550	0.286	2	110.9564	3.472	147	110.6751	3.824	204	110.4709	3.887	300	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(COO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(COO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,1|H<1>,1|I<1>}	O(CC[6a]CH)(H)	111.8720	1.299	3	110.9564	3.472	147	110.6751	3.824	204	110.4709	3.887	300	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(COO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(COO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]CH)(H)	112.0800	0.000	1	110.9564	3.472	147	110.6751	3.824	204	110.4709	3.887	300	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(COO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(COO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	110.9421	1.985	118	110.9564	3.472	147	110.6751	3.824	204	110.4709	3.887	300	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(COO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(COO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]CH)(H)	110.7709	1.315	10	110.9564	3.472	147	110.6751	3.824	204	110.4709	3.887	300	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CSiC)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CSiC)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	108.3990	0.620	4	108.8894	1.491	5	110.6751	3.824	204	110.4709	3.887	300	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CSiC)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CSiC)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|O<2>}	O(CC[6a]CH)(H)	110.8510	0.000	1	108.8894	1.491	5	110.6751	3.824	204	110.4709	3.887	300	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C[5]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	O(CC[6a]C[5]H)(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO){1|C<3>,2|H<1>}	O(CC[6a]C[5]H)(H)	110.3670	1.595	6	110.3670	2.543	6	110.2229	2.265	7	110.4709	3.887	300	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C[5]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2)(OH)(H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CC[5]HO)	O(CC[6a]C[5]H)(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(OH)(H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CC[5]HO){1|C<3>,1|H<1>}	O(CC[6a]C[5]H)(H)	109.3580	0.000	1	109.3580	0.000	1	110.2229	2.265	7	110.4709	3.887	300	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C[6]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(C[6]C[6]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	O(CC[6a]C[6]H)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	O(CC[6a]C[6]H)(H)	109.8532	2.408	9	109.8532	5.796	9	109.8532	5.796	9	110.4709	3.887	300	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N[5a])(CC[6a]HO)	O(CC[6a]2H)(H)	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N[5a])(CC[6a]HO){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	O(CC[6a]2H)(H)	109.3780	0.000	1	109.3780	0.000	1	109.3780	0.000	1	110.4709	3.887	300	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HO)	O(CC[6a]2H)(H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HO){1|H<1>,4|C<3>}	O(CC[6a]2H)(H)	111.5300	0.000	1	111.5300	0.000	1	111.0415	0.477	2	110.4709	3.887	300	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HO)	O(CC[6a]2H)(H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HO){2|H<1>,3|C<3>}	O(CC[6a]2H)(H)	110.5530	0.000	1	110.5530	0.000	1	111.0415	0.477	2	110.4709	3.887	300	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HO)	O(CC[6a]2H)(H)	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]2H)(H)	109.2120	0.000	1	109.2120	0.000	1	109.9010	4.721	57	110.4709	3.887	300	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	O(CC[6a]2H)(H)	C(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	O(CC[6a]2H)(H)	110.3910	0.000	1	110.3910	0.000	1	109.9010	4.721	57	110.4709	3.887	300	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	O(CC[6a]2H)(H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	O(CC[6a]2H)(H)	108.9920	0.148	2	108.9920	0.022	2	109.9010	4.721	57	110.4709	3.887	300	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	O(CC[6a]2H)(H)	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	O(CC[6a]2H)(H)	109.6510	0.095	2	109.6510	0.009	2	109.9010	4.721	57	110.4709	3.887	300	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CC[6a]HO)	O(CC[6a]2H)(H)	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CC[6a]HO){1|C<4>,2|C<3>}	O(CC[6a]2H)(H)	111.0850	0.000	1	111.0850	0.000	1	109.9010	4.721	57	110.4709	3.887	300	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CC[6a]HO)	O(CC[6a]2H)(H)	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CC[6a]HO){1|H<1>,2|C<3>}	O(CC[6a]2H)(H)	107.9400	2.275	4	107.9400	5.178	4	109.9010	4.721	57	110.4709	3.887	300	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)(CC[6a]HO)	O(CC[6a]2H)(H)	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)(CC[6a]HO){2|C<3>}	O(CC[6a]2H)(H)	109.7990	0.000	1	109.7990	0.000	1	109.9010	4.721	57	110.4709	3.887	300	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]HO)	O(CC[6a]2H)(H)	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]HO){1|N<2>,2|C<3>,2|H<1>}	O(CC[6a]2H)(H)	110.2410	0.000	1	110.2410	0.000	1	109.9010	4.721	57	110.4709	3.887	300	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HO)	O(CC[6a]2H)(H)	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]2H)(H)	109.7700	0.000	1	109.0970	9.033	3	109.9010	4.721	57	110.4709	3.887	300	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HO)	O(CC[6a]2H)(H)	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HO){1|C<3>,2|H<1>}	O(CC[6a]2H)(H)	108.7605	4.170	2	109.0970	9.033	3	109.9010	4.721	57	110.4709	3.887	300	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(CC[6a]HO)	O(CC[6a]2H)(H)	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(CC[6a]HO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]2H)(H)	112.3195	0.163	2	112.3195	0.027	2	109.9010	4.721	57	110.4709	3.887	300	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]HO)	O(CC[6a]2H)(H)	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]HO){1|C<3>,2|H<1>}	O(CC[6a]2H)(H)	110.1585	2.139	2	110.1585	4.575	2	109.9010	4.721	57	110.4709	3.887	300	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HO)	O(CC[6a]2H)(H)	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]2H)(H)	105.2200	0.024	2	106.8083	5.025	4	109.9010	4.721	57	110.4709	3.887	300	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HO)	O(CC[6a]2H)(H)	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HO){1|C<3>,2|H<1>}	O(CC[6a]2H)(H)	108.3965	2.232	2	106.8083	5.025	4	109.9010	4.721	57	110.4709	3.887	300	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HO)	O(CC[6a]2H)(H)	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HO){1|C<3>,2|H<1>}	O(CC[6a]2H)(H)	106.8220	0.000	1	106.8220	0.000	1	109.9010	4.721	57	110.4709	3.887	300	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]HO)	O(CC[6a]2H)(H)	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]HO){1|C<3>,2|H<1>}	O(CC[6a]2H)(H)	110.6410	0.013	2	110.6410	0.000	2	109.9010	4.721	57	110.4709	3.887	300	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]HO)	O(CC[6a]2H)(H)	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]HO){1|C<3>,1|H<1>}	O(CC[6a]2H)(H)	109.8080	0.000	1	109.8080	0.000	1	109.9010	4.721	57	110.4709	3.887	300	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	O(CC[6a]2H)(H)	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	O(CC[6a]2H)(H)	110.4097	2.250	18	110.4991	4.931	19	109.9010	4.721	57	110.4709	3.887	300	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	O(CC[6a]2H)(H)	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|O<2>}	O(CC[6a]2H)(H)	112.1080	0.000	1	110.4991	4.931	19	109.9010	4.721	57	110.4709	3.887	300	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]HO)	O(CC[6a]2H)(H)	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]HO){1|C<4>,1|H<1>,1|N<2>}	O(CC[6a]2H)(H)	110.4170	0.000	1	110.4170	0.000	1	109.9010	4.721	57	110.4709	3.887	300	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HO)	O(CC[6a]2H)(H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]2H)(H)	112.6940	0.000	1	112.6940	0.000	1	109.9010	4.721	57	110.4709	3.887	300	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[6a]HO)	O(CC[6a]2H)(H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[6a]HO){1|C<3>,2|H<1>}	O(CC[6a]2H)(H)	110.7600	0.000	1	110.7600	0.000	1	109.9010	4.721	57	110.4709	3.887	300	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	O(CC[6a]2H)(H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	O(CC[6a]2H)(H)	110.4140	2.050	6	110.4140	4.202	6	109.9010	4.721	57	110.4709	3.887	300	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	O(CC[6a]2H)(H)	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	O(CC[6a]2H)(H)	111.3520	0.000	1	111.3520	0.000	1	109.9010	4.721	57	110.4709	3.887	300	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC[6a]HO)	O(CC[6a]2H)(H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC[6a]HO){1|C<3>,1|H<1>,1|O<1>}	O(CC[6a]2H)(H)	110.5120	0.000	1	110.5120	0.000	1	110.5120	0.000	1	110.4709	3.887	300	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:N-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(NCC)(OH)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHNO)	O(CC[6a]HN)(H)	C(C[6a]C[6a]2)(NCC)(OH)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHNO){2|H<1>,3|C<3>}	O(CC[6a]HN)(H)	110.8283	1.040	3	110.8283	1.083	3	110.3227	0.832	10	110.4709	3.887	300	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:N-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(NCH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CHNO)	O(CC[6a]HN)(H)	C(C[6a]C[6a]2)(NCH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CHNO){1|N<2>,2|H<1>}	O(CC[6a]HN)(H)	108.4250	0.000	1	108.4250	0.000	1	110.3227	0.832	10	110.4709	3.887	300	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:N-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(NN[5a]H)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHNO)	O(CC[6a]HN)(H)	C(C[6a]C[6a]2)(NN[5a]H)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHNO){1|C<3>,2|H<1>}	O(CC[6a]HN)(H)	110.2820	0.856	2	110.2820	0.732	2	110.3227	0.832	10	110.4709	3.887	300	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:N-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(NN[5a]H)(OH)(H)	C[6a](C[6a]C[6a]H)2(CHNO)	O(CC[6a]HN)(H)	C(C[6a]C[6a]2)(NN[5a]H)(OH)(H)	C[6a](C[6a]C[6a]H)2(CHNO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]HN)(H)	110.3983	0.274	3	110.4382	0.056	4	110.3227	0.832	10	110.4709	3.887	300	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:N-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(NN[5a]H)(OH)(H)	C[6a](C[6a]C[6a]H)2(CHNO)	O(CC[6a]HN)(H)	C(C[6a]C[6a]2)(NN[5a]H)(OH)(H)	C[6a](C[6a]C[6a]H)2(CHNO){1|C<3>,2|H<1>}	O(CC[6a]HN)(H)	110.5580	0.000	1	110.4382	0.056	4	110.3227	0.832	10	110.4709	3.887	300	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[5]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]HO)	O(CC[6a]C[5]H)(CC[6a]HH)	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]HO){1|C<3>,2|H<1>}	O(CC[6a]C[5]H)(CC[6a]HH)	108.5890	0.000	1	108.5890	0.000	1	111.7768	5.820	4	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[5]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	O(CC[6a]C[5]H)(CC[6a]HH)	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO){1|C<3>,2|H<1>}	O(CC[6a]C[5]H)(CC[6a]HH)	111.2420	0.000	1	111.2420	0.000	1	111.7768	5.820	4	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[5]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	O(CC[6a]C[5]H)(CCCH)	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO){1|C<3>,2|H<1>}	O(CC[6a]C[5]H)(CCCH)	113.4330	0.000	1	113.4330	0.000	1	111.7768	5.820	4	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[5]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	O(CC[6a]C[5]H)(CH3)	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO){1|C<3>,2|H<1>}	O(CC[6a]C[5]H)(CH3)	113.8430	0.000	1	113.8430	0.000	1	111.7768	5.820	4	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[5a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HO)	O(CC[5a]C[6a]H)(CH3)	C(C[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HO){1|C<3>,2|H<1>}	O(CC[5a]C[6a]H)(CH3)	107.4150	0.000	1	107.4150	0.000	1	107.5248	0.088	5	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[5a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HO)	O(CC[5a]C[6a]H)(CH3)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HO){1|C<3>,2|H<1>}	O(CC[5a]C[6a]H)(CH3)	107.7930	0.000	1	107.7930	0.000	1	107.5248	0.088	5	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[5a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HO)	O(CC[5a]C[6a]H)(CCHH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HO){1|Br<1>,1|C<3>,1|H<1>}	O(CC[5a]C[6a]H)(CCHH)	107.8850	0.000	1	107.8850	0.000	1	107.5248	0.088	5	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[5a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5a]HO)	O(CC[5a]C[6a]H)(CCHH)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5a]HO){1|H<1>,2|C<3>}	O(CC[5a]C[6a]H)(CCHH)	107.2170	0.000	1	107.2170	0.000	1	107.5248	0.088	5	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[5a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5a]HO)	O(CC[5a]C[6a]H)(CC[3]HH)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5a]HO){1|H<1>,2|C<3>}	O(CC[5a]C[6a]H)(CC[3]HH)	107.3140	0.000	1	107.3140	0.000	1	107.5248	0.088	5	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[6]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	O(CC[6a]C[6]H)(CCHH)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	O(CC[6a]C[6]H)(CCHH)	111.4650	0.000	1	111.4650	0.000	1	111.4650	0.000	1	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:B[5]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:Si-4:	C(C[6a]C[6a]2)(B[5]N[5]2)(OSi)(H)	C[6a](C[6a]C[6a]H)2(CB[5]HO)	O(CC[6a]B[5]H)(SiC3)	C(C[6a]C[6a]2)(B[5]N[5]2)(OSi)(H)	C[6a](C[6a]C[6a]H)2(CB[5]HO){1|C<3>,2|H<1>}	O(CC[6a]B[5]H)(SiC3)	110.2030	0.000	1	110.2030	0.000	1	110.2030	0.000	1	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CCC)(OC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(CCC)(OC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHO){1|H<1>,1|O<2>,3|C<3>}	O(CC[6a]CH)(CC[6a]HH)	106.5070	0.000	2	108.0143	6.816	3	110.0216	4.784	45	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CCC)(OC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(CCC)(OC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHO){2|O<2>,3|C<3>}	O(CC[6a]CH)(CC[6a]HH)	111.0290	0.000	1	108.0143	6.816	3	110.0216	4.784	45	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CCC)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CH3)	C(C[6a]C[6a]2)(CCC)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CH3)	111.6350	0.000	1	111.6350	0.000	1	110.0216	4.784	45	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CCH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)2	C(C[6a]C[6a]2)(CCH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)2	110.5510	0.000	1	110.5510	0.000	1	110.0216	4.784	45	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CCN)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CH3)	C(C[6a]C[6a]2)(CCN)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CH3)	107.0850	0.000	1	107.0850	0.000	1	110.0216	4.784	45	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CClC)(OC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(CH3)	C(C[6a]C[6a]2)(CClC)(OC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHO){1|C<4>,1|H<1>,3|C<3>}	O(CC[6a]CH)(CH3)	109.7785	1.150	2	110.6550	3.808	6	110.0216	4.784	45	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CClC)(OC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(CH3)	C(C[6a]C[6a]2)(CClC)(OC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHO){1|H<1>,4|C<3>}	O(CC[6a]CH)(CH3)	111.0932	2.267	4	110.6550	3.808	6	110.0216	4.784	45	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CNO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CCHH)	C(C[6a]C[6a]2)(CNO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CCHH)	111.4420	0.000	1	111.4420	0.000	1	110.0216	4.784	45	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CNO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CH3)	C(C[6a]C[6a]2)(CNO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CH3)	109.2551	1.805	10	109.2551	3.258	10	110.0216	4.784	45	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CN[5]O)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CH3)	C(C[6a]C[6a]2)(CN[5]O)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CH3)	110.7040	3.121	3	110.7040	9.743	3	110.0216	4.784	45	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CN[5a]C)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CH3)	C(C[6a]C[6a]2)(CN[5a]C)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CH3)	112.6230	0.000	1	112.6230	0.000	1	110.0216	4.784	45	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CN[6]O)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CH3)	C(C[6a]C[6a]2)(CN[6]O)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CH3)	110.0340	0.000	1	110.0340	0.000	1	110.0216	4.784	45	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(COO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]2H)(CC[6a]CH)	C(C[6a]C[6a]2)(COO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]2H)(CC[6a]CH)	111.3995	5.428	2	111.3995	29.468	2	110.0216	4.784	45	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(COO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CH3)	C(C[6a]C[6a]2)(COO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CH3)	110.1992	2.105	13	110.1992	4.432	13	110.0216	4.784	45	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(COS)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CH3)	C(C[6a]C[6a]2)(COS)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CH3)	109.7890	0.076	2	109.7890	0.006	2	110.0216	4.784	45	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:	C(C[6a]C[6a]2)(COO)(OS)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(SC[6a]OO)	C(C[6a]C[6a]2)(COO)(OS)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(SC[6a]OO)	111.8245	1.511	2	111.8245	2.283	2	111.8245	2.283	2	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:Si-4:	C(C[6a]C[6a]2)(CCC)(OSi)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(CCHO)	O(CC[6a]CH)(SiC3)	C(C[6a]C[6a]2)(CCC)(OSi)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(CCHO){2|O<2>,3|C<3>}	O(CC[6a]CH)(SiC3)	109.4690	0.000	1	109.4690	0.000	1	108.6096	1.882	5	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:Si-4:	C(C[6a]C[6a]2)(CCC)(OSi)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(SiC[6a]3)	C(C[6a]C[6a]2)(CCC)(OSi)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(SiC[6a]3)	107.0220	0.000	1	107.0220	0.000	1	108.6096	1.882	5	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:Si-4:	C(C[6a]C[6a]2)(CCC)(OSi)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(SiC[6a]3)	C(C[6a]C[6a]2)(CCC)(OSi)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(SiC[6a]3)	109.0040	0.000	1	109.0040	0.000	1	108.6096	1.882	5	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:Si-4:	C(C[6a]C[6a]2)(CClC)(OSi)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(SiC3)	C(C[6a]C[6a]2)(CClC)(OSi)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(SiC3)	110.2010	0.000	1	110.2010	0.000	1	108.6096	1.882	5	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:Si-4:	C(C[6a]C[6a]2)(CNO)(OSi)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(SiC3)	C(C[6a]C[6a]2)(CNO)(OSi)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(SiC3)	107.3520	0.000	1	107.3520	0.000	1	108.6096	1.882	5	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	P[5]-4:C-4:	C(C[6a]C[6a]2)(CC[6a]O)(OP[5])(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(P[5]O[5]2O)(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]O)(OP[5])(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(P[5]O[5]2O)(CC[6a]CH)	105.8480	0.000	1	105.8480	0.000	1	105.8480	0.000	1	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	Si-4:C-4:	C(C[6a]C[6a]2)(CC[6a]O)(OSi)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(SiC[6a]2C)(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]O)(OSi)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(SiC[6a]2C)(CC[6a]CH)	110.6900	0.000	1	110.6900	0.000	1	110.6900	0.000	1	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:C[6]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	O(CC[6a]C[6]H)(CCHH)	C(C[6a]C[6a]2)(C[6]C[6]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	O(CC[6a]C[6]H)(CCHH)	112.5230	0.000	1	112.5230	0.000	1	112.5230	0.000	1	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CC[6a]HO)	O(CC[6a]2H)(CC[6a]CH)	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CC[6a]HO){1|H<1>,2|C<3>,2|C<4>}	O(CC[6a]2H)(CC[6a]CH)	114.0475	0.351	2	114.0475	0.124	2	109.4290	18.337	5	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CC[6a]HO)	O(CC[6a]2H)(CH3)	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CC[6a]HO){1|B<4>,1|H<1>,4|C<3>}	O(CC[6a]2H)(CH3)	106.6410	0.000	1	106.6410	0.000	1	109.4290	18.337	5	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CC[6a]HO)	O(CC[6a]2H)(CHHO)	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CC[6a]HO){1|B<4>,1|H<1>,4|C<3>}	O(CC[6a]2H)(CHHO)	106.2045	1.412	2	106.2045	1.994	2	109.4290	18.337	5	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a,6a]C[6a])2(OC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HO)	O(CC[6a]2H)(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])2(OC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HO){2|H<1>,3|C<3>}	O(CC[6a]2H)(CC[6a]CH)	108.9275	3.551	6	108.9275	12.610	6	108.9275	12.610	6	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:P-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OP)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CC[6a]HO)	O(CC[6a]2H)(PO3)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OP)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CC[6a]HO){1|H<1>,4|C<3>}	O(CC[6a]2H)(PO3)	108.2930	0.000	1	108.2930	0.000	1	108.2930	0.000	1	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[5]-4:C-4:	C(C[6a]C[6a,6a]C[6a])2(OC[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HO)	O(C[5]C[5,6]C[5]H)(CC[6a]2H)	C(C[6a]C[6a,6a]C[6a])2(OC[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HO){2|H<1>,3|C<3>}	O(C[5]C[5,6]C[5]H)(CC[6a]2H)	109.6890	2.561	2	109.6890	6.559	2	109.6890	6.559	2	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:	C(C[6a]C[6a,6a]C[6a])2(OC[6])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HO)	O(C[6]C[6]2H)(CC[6a]2H)	C(C[6a]C[6a,6a]C[6a])2(OC[6])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HO){2|H<1>,3|C<3>}	O(C[6]C[6]2H)(CC[6a]2H)	109.0310	4.142	2	109.0310	17.158	2	109.0310	17.158	2	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	B-4:C-4:	C(C[6a]C[6a]2)2(OB)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	O(BC[6a]2C[6])(CC[6a]2H)	C(C[6a]C[6a]2)2(OB)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	O(BC[6a]2C[6])(CC[6a]2H)	110.9310	3.681	2	110.9310	13.551	2	110.9310	13.551	2	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]Cl)2(CC[6a]HO)	O(CC[6a]2H)(CC[6a]CH)	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]Cl)2(CC[6a]HO){1|C<3>,2|H<1>}	O(CC[6a]2H)(CC[6a]CH)	103.1570	0.000	1	103.1570	0.000	1	109.3201	4.628	52	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	O(CC[6a]2H)(CC[6a]CH)	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	O(CC[6a]2H)(CC[6a]CH)	111.0320	0.000	1	111.0320	0.000	1	109.3201	4.628	52	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	O(CC[6a]2H)(CH3)	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	O(CC[6a]2H)(CH3)	112.5550	0.000	1	112.5550	0.000	1	109.3201	4.628	52	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	O(CC[6a]2H)(CHHO)	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	O(CC[6a]2H)(CHHO)	110.0985	1.473	2	110.0985	2.169	2	109.3201	4.628	52	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HO)	O(CC[6a]2H)(CCHH)	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HO){1|C<3>,2|H<1>}	O(CC[6a]2H)(CCHH)	110.0600	1.761	2	110.0600	3.100	2	109.3201	4.628	52	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HO)	O(CC[6a]2H)(CH3)	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]2H)(CH3)	107.8260	0.000	1	107.8260	0.000	1	109.3201	4.628	52	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HO)	O(CC[6a]2H)2	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HO){1|C<3>,2|H<1>}	O(CC[6a]2H)2	110.0777	1.325	3	110.0777	1.755	3	109.3201	4.628	52	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HO)	O(CC[6a]2H)(CCCH)	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HO){1|C<3>,2|C<4>}	O(CC[6a]2H)(CCCH)	109.5130	2.967	2	109.5130	8.803	2	109.3201	4.628	52	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HO)	O(CC[6a]2H)(CCHH)	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HO){1|C<3>,2|H<1>}	O(CC[6a]2H)(CCHH)	107.3630	0.000	1	107.3630	0.000	1	109.3201	4.628	52	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HO)	O(CC[6a]2H)(CH3)	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HO){1|C<3>,1|C<4>,1|O<2>}	O(CC[6a]2H)(CH3)	111.7955	0.414	2	109.7198	5.883	4	109.3201	4.628	52	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HO)	O(CC[6a]2H)(CH3)	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HO){1|C<3>,2|C<4>}	O(CC[6a]2H)(CH3)	107.6440	0.492	2	109.7198	5.883	4	109.3201	4.628	52	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	O(CC[6a]2H)(CCCH)	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	O(CC[6a]2H)(CCCH)	108.5354	2.974	8	108.5354	8.846	8	109.3201	4.628	52	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	O(CC[6a]2H)(CCHH)	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	O(CC[6a]2H)(CCHH)	109.5859	1.510	17	109.5859	2.280	17	109.3201	4.628	52	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	O(CC[6a]2H)(CH3)	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	O(CC[6a]2H)(CH3)	111.7450	0.000	1	111.7450	0.000	1	109.3201	4.628	52	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	O(CC[6a]2H)2	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	O(CC[6a]2H)2	108.9087	1.958	8	108.9087	3.832	8	109.3201	4.628	52	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:P-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OP)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	O(CC[6a]2H)(PO3)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OP)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	O(CC[6a]2H)(PO3)	108.4330	0.000	1	108.4330	0.000	1	108.4330	0.000	1	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:Si-4:	C(C[6a]C[6a]2)2(OSi)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	O(CC[6a]2H)(SiRhCC)	C(C[6a]C[6a]2)2(OSi)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	O(CC[6a]2H)(SiRhCC)	110.4720	1.718	2	110.4720	2.952	2	110.4720	2.952	2	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,5]-4:C-4:	C(C[6a]C[6a]2)2(OC[5,5])(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	O(C[5,5]C[5,5,6]2H)(CC[6a]2H)	C(C[6a]C[6a]2)2(OC[5,5])(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	O(C[5,5]C[5,5,6]2H)(CC[6a]2H)	109.1450	3.241	2	109.1450	10.507	2	109.1450	10.507	2	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C-4:	C(C[6a]C[6a]2)2(OC[5])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HO)	O(C[5]C[5,6a]N[5]H)(CC[6a]2H)	C(C[6a]C[6a]2)2(OC[5])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HO){1|C<3>,2|H<1>}	O(C[5]C[5,6a]N[5]H)(CC[6a]2H)	110.2837	1.272	3	110.2837	1.617	3	108.8170	5.510	18	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C-4:	C(C[6a]C[6a]2)2(OC[5])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HO)	O(C[5]C[5]N[5]H)(CC[6a]2H)	C(C[6a]C[6a]2)2(OC[5])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HO){1|C<3>,2|H<1>}	O(C[5]C[5]N[5]H)(CC[6a]2H)	111.6310	0.079	2	111.6310	0.006	2	108.8170	5.510	18	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C-4:	C(C[6a]C[6a]2)2(OC[5])(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	O(C[5]C[5,6]C[5]H)(CC[6a]2H)	C(C[6a]C[6a]2)2(OC[5])(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	O(C[5]C[5,6]C[5]H)(CC[6a]2H)	108.1508	3.054	6	108.1508	9.326	6	108.8170	5.510	18	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C-4:	C(C[6a]C[6a]2)2(OC[5])(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	O(C[5]C[5,6a]N[5]H)(CC[6a]2H)	C(C[6a]C[6a]2)2(OC[5])(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	O(C[5]C[5,6a]N[5]H)(CC[6a]2H)	107.5943	0.982	3	107.5943	0.964	3	108.8170	5.510	18	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C-4:	C(C[6a]C[6a]2)2(OC[5])(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	O(C[5]C[5]2H)(CC[6a]2H)	C(C[6a]C[6a]2)2(OC[5])(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	O(C[5]C[5]2H)(CC[6a]2H)	109.0935	2.753	2	109.0935	7.578	2	108.8170	5.510	18	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C-4:	C(C[6a]C[6a]2)2(OC[5])(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	O(C[5]C[5]N[5]H)(CC[6a]2H)	C(C[6a]C[6a]2)2(OC[5])(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	O(C[5]C[5]N[5]H)(CC[6a]2H)	107.3590	0.668	2	107.3590	0.446	2	108.8170	5.510	18	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:	C(C[6a]C[6a]2)2(OC[6])(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	O(C[6]C[6,6]C[6]H)(CC[6a]2H)	C(C[6a]C[6a]2)2(OC[6])(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	O(C[6]C[6,6]C[6]H)(CC[6a]2H)	109.2970	0.588	2	109.2970	0.346	2	109.4095	7.612	8	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:	C(C[6a]C[6a]2)2(OC[6])(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	O(C[6]C[6]O[6]H)(CC[6a]2H)	C(C[6a]C[6a]2)2(OC[6])(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	O(C[6]C[6]O[6]H)(CC[6a]2H)	109.4470	3.253	6	109.4470	10.580	6	109.4095	7.612	8	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:N-3:O-2:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a,6a]2)(NC[6a]H)(OC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHNO)	O(CC[6a]HN)(CCHH)	C(C[6a]C[6a,6a]2)(NC[6a]H)(OC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHNO){2|H<1>,5|C<3>}	O(CC[6a]HN)(CCHH)	112.5550	0.000	1	112.5550	0.000	1	112.5550	0.000	1	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:N-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(NCC)(OC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHNO)	O(CC[6a]HN)(CCCH)	C(C[6a]C[6a]2)(NCC)(OC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHNO){2|H<1>,3|C<3>}	O(CC[6a]HN)(CCCH)	107.8770	0.000	1	107.8770	0.000	1	109.3250	6.191	3	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:N-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(NCH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CHNO)	O(CC[6a]HN)(CCHH)	C(C[6a]C[6a]2)(NCH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CHNO){1|C<3>,2|H<1>}	O(CC[6a]HN)(CCHH)	107.9000	0.000	1	107.9000	0.000	1	109.3250	6.191	3	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:N-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(NC[6a]H)(OC)(H)	C[6a](C[6a]C[6a]H)2(CHNO)	O(CC[6a]HN)(CH3)	C(C[6a]C[6a]2)(NC[6a]H)(OC)(H)	C[6a](C[6a]C[6a]H)2(CHNO){1|C<3>,2|H<1>}	O(CC[6a]HN)(CH3)	112.1980	0.000	1	112.1980	0.000	1	109.3250	6.191	3	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:N[5a]-3:O-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:Si-4:	C(C[6a]C[6a,6a]C[6a])(N[5a]N[5a]2)(OSi)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[5a]HO)	O(CC[6a]N[5a]H)(SiC3)	C(C[6a]C[6a,6a]C[6a])(N[5a]N[5a]2)(OSi)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[5a]HO){2|H<1>,3|C<3>}	O(CC[6a]N[5a]H)(SiC3)	111.8980	0.000	1	111.8980	0.000	1	111.8980	0.000	1	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:O-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OPdC)(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHOO)	O(CC[6a]HO)(CCHH)	C(C[6a]C[6a]2)(OPdC)(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHOO){1|C<3>,2|H<1>}	O(CC[6a]HO)(CCHH)	107.8660	0.000	1	107.8660	0.000	1	107.8660	0.000	1	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	N[5a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]HO)	O(CC[6a]N[5a]H)(CCCH)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]HO){1|C<3>,2|H<1>}	O(CC[6a]N[5a]H)(CCCH)	107.1890	0.000	1	107.1890	0.000	1	107.7495	0.965	6	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	N[5a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN[5a]HO)	O(CC[6a]N[5a]H)(CCCH)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN[5a]HO){1|C<3>,2|H<1>}	O(CC[6a]N[5a]H)(CCCH)	107.0610	0.000	1	107.0610	0.000	1	107.7495	0.965	6	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	N[5a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]HO)	O(CC[6a]N[5a]H)(CCCH)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]HO){1|C<3>,2|H<1>}	O(CC[6a]N[5a]H)(CCCH)	107.5725	0.790	2	108.0617	1.215	4	107.7495	0.965	6	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	4:4:	N[5a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]HO)	O(CC[6a]N[5a]H)(CCCH)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]HO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]N[5a]H)(CCCH)	108.5510	1.437	2	108.0617	1.215	4	107.7495	0.965	6	109.4666	5.497	179	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:1:	3:3:4:	5:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	B[5]-5:C-4:	C(C[6a]C[6a]2)2(OB[5])(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	O(B[5]O[5]2MgO)(CC[6a]2H)	C(C[6a]C[6a]2)2(OB[5])(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	O(B[5]O[5]2MgO)(CC[6a]2H)	109.8625	2.371	2	109.8625	5.621	2	109.8625	5.621	2	109.8625	5.621	2	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:2:	2:3:4:	4:1:	C[6a]-3:C-3:O-2:O-2:	N[6a]-2:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]N[6a])(COO)(OH)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CCOO)	O(CC[6a]CO)(H)	C(C[6a]C[6a]N[6a])(COO)(OH)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CCOO){1|H<1>,2|C<3>}	O(CC[6a]CO)(H)	109.2065	6.177	2	109.2065	38.150	2	109.2065	38.150	2	109.2065	38.150	2	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:2:	3:3:4:	4:1:	C[6a]-3:C-3:C-2:O-2:	C[5,6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[5,6a]C[6a])(CCO)(CC)(OH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[5,6a]C[6a])(CCO)(CC)(OH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCCO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	O(CC[6a]CC)(H)	111.4070	0.000	1	111.4070	0.000	1	111.4070	0.000	1	108.8250	3.473	101	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:2:	3:3:4:	4:1:	C[6a]-3:C-3:C-2:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]O)(CC)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]O)(CC)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	107.9810	0.963	2	107.9810	0.928	2	107.9810	0.928	2	108.8250	3.473	101	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C-2:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)2(CC)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CO)	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CC)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CO){1|C<3>,2|H<1>}	O(CC[6a]2C)(H)	109.0573	2.564	6	109.0573	6.575	6	108.8086	3.199	96	108.8250	3.473	101	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C-2:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)2(CC)(OH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]CO)	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CC)(OH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]CO){1|C<3>,2|H<1>}	O(CC[6a]2C)(H)	108.6515	2.136	2	108.6515	4.563	2	108.8086	3.199	96	108.8250	3.473	101	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C-2:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)2(CC)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CC)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	O(CC[6a]2C)(H)	108.7747	1.748	87	108.7747	3.057	87	108.8086	3.199	96	108.8250	3.473	101	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C-2:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)2(CC)(OH)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CC[6a]CO)	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CC)(OH)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CC[6a]CO){1|C<3>,2|C<4>,2|H<1>}	O(CC[6a]2C)(H)	110.5760	0.000	1	110.5760	0.000	1	108.8086	3.199	96	108.8250	3.473	101	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:O-2:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)2(OH)2	C[6a](C[6a]C[6a]H)2(CC[6a]OO)	O(CC[6a]2O)(H)	C(C[6a]C[6a]2)2(OH)2	C[6a](C[6a]C[6a]H)2(CC[6a]OO){1|N<2>,2|H<1>}	O(CC[6a]2O)(H)	109.1650	5.842	2	109.1650	34.130	2	109.1650	34.130	2	108.8250	3.473	101	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C-2:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)2(CC)(OC)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	O(CC[6a]2C)(CC[6a]CH)	C(C[6a]C[6a]2)2(CC)(OC)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	O(CC[6a]2C)(CC[6a]CH)	106.9205	1.549	2	106.9205	2.400	2	107.3115	2.774	4	108.2924	6.828	12	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C-2:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)2(CC)(OC)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	O(CC[6a]2C)(CH3)	C(C[6a]C[6a]2)2(CC)(OC)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	O(CC[6a]2C)(CH3)	107.7025	2.304	2	107.7025	5.311	2	107.3115	2.774	4	108.2924	6.828	12	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:O-2:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)2(OC)2	C[6a](C[6a]C[6a]H)2(CC[6a]OO)	O(CC[6a]2O)(CCHH)	C(C[6a]C[6a]2)2(OC)2	C[6a](C[6a]C[6a]H)2(CC[6a]OO){1|C<3>,2|H<1>}	O(CC[6a]2O)(CCHH)	108.7290	2.842	4	108.7290	8.076	4	108.7829	8.715	8	108.2924	6.828	12	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:2:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:O-2:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)2(OC)2	C[6a](C[6a]C[6a]H)2(CC[6a]OO)	O(CC[6a]2O)(CC[5]HH)	C(C[6a]C[6a]2)2(OC)2	C[6a](C[6a]C[6a]H)2(CC[6a]OO){1|C<3>,2|H<1>}	O(CC[6a]2O)(CC[5]HH)	108.8367	3.500	4	108.8367	12.252	4	108.7829	8.715	8	108.2924	6.828	12	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	2:3:4:	4:1:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	N[6a]-2:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)2(OH)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]2O)	O(CC[6a]3)(H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)2(OH)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]2O){1|H<1>,2|C<3>}	O(CC[6a]3)(H)	107.7820	0.000	1	107.7820	0.000	1	107.7820	0.000	1	107.7820	0.000	1	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:2:4:	4:1:	C[6a]-3:C[6]-3:C[6]-3:O-2:	C[6a]-3:N[6a]-2:C-4:	C-4:H-1:	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]2O)	O(CC[6a]C[6]2)(H)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]2O){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]C[6]2)(H)	107.3593	0.683	4	108.0667	2.291	8	108.0667	2.291	8	108.3491	1.130	37	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:2:4:	4:1:	C[6a]-3:C[6]-3:C[6]-3:O-2:	C[6a]-3:N[6a]-2:C-4:	C-4:H-1:	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]2O)	O(CC[6a]C[6]2)(H)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]2O){1|C<3>,2|H<1>}	O(CC[6a]C[6]2)(H)	108.7742	1.882	4	108.0667	2.291	8	108.0667	2.291	8	108.3491	1.130	37	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:2:4:	4:1:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:C-4:	C-4:H-1:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)2(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2O)	O(CC[6a]3)(H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)2(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2O){1|C<3>,2|H<1>}	O(CC[6a]3)(H)	107.8890	0.000	1	107.8890	0.000	1	108.4269	0.851	29	108.3491	1.130	37	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:2:4:	4:1:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:C-4:	C-4:H-1:	C(C[6a]C[6a]N[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2O)	O(CC[6a]3)(H)	C(C[6a]C[6a]N[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2O){1|C<3>,2|H<1>}	O(CC[6a]3)(H)	108.4500	0.975	22	108.4500	0.951	22	108.4269	0.851	29	108.3491	1.130	37	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:2:4:	4:1:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:C-4:	C-4:H-1:	C(C[6a]C[6a]N[6a])3(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2O)	O(CC[6a]3)(H)	C(C[6a]C[6a]N[6a])3(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2O){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]3)(H)	107.9050	0.000	1	108.4322	0.710	6	108.4269	0.851	29	108.3491	1.130	37	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:2:4:	4:1:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:C-4:	C-4:H-1:	C(C[6a]C[6a]N[6a])3(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2O)	O(CC[6a]3)(H)	C(C[6a]C[6a]N[6a])3(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2O){1|C<3>,2|H<1>}	O(CC[6a]3)(H)	108.7170	0.133	3	108.4322	0.710	6	108.4269	0.851	29	108.3491	1.130	37	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:2:4:	4:1:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:C-4:	C-4:H-1:	C(C[6a]C[6a]N[6a])3(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2O)	O(CC[6a]3)(H)	C(C[6a]C[6a]N[6a])3(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2O){1|H<1>,2|C<3>}	O(CC[6a]3)(H)	108.2685	1.715	2	108.4322	0.710	6	108.4269	0.851	29	108.3491	1.130	37	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:2:4:	4:4:	C[6a]-3:C[5]-3:C[5]-3:O-2:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:	C(C[6a]C[6a]N[6a])(C[5]N[5]2)2(OC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]2O)	O(CC[6a]C[5]2)(CH3)	C(C[6a]C[6a]N[6a])(C[5]N[5]2)2(OC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]2O){1|C<3>,2|H<1>}	O(CC[6a]C[5]2)(CH3)	108.0000	0.793	2	108.0000	0.629	2	108.0000	0.629	2	108.7470	1.989	3	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:2:4:	4:4:	C[6a]-3:C[6]-3:C[6]-3:O-2:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(OC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]2O)	O(CC[6a]C[6]2)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(OC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]2O){1|C<3>,2|H<1>}	O(CC[6a]C[6]2)(CC[6a]HH)	110.2410	0.000	1	110.2410	0.000	1	110.2410	0.000	1	108.7470	1.989	3	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:3:4:	4:1:	C[5a]-3:C[5a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[5a]C[5a]S[5a])2(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]H)2(CC[5a]2O)	O(CC[5a]2C[6a])(H)	C(C[5a]C[5a]S[5a])2(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]H)2(CC[5a]2O){1|C<3>,2|H<1>}	O(CC[5a]2C[6a])(H)	109.8268	2.361	4	109.8268	5.573	4	109.8268	5.573	4	108.0979	5.323	375	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:3:4:	4:1:	C[5a]-3:C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CNO)(OH)	C[6a](C[6a]C[6a]H)2(CC[5a]CO)	O(CC[5a]C[6a]C)(H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CNO)(OH)	C[6a](C[6a]C[6a]H)2(CC[5a]CO){1|C<3>,2|H<1>}	O(CC[5a]C[6a]C)(H)	106.6850	0.000	1	106.6850	0.000	1	108.4135	5.975	2	108.0979	5.323	375	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:3:4:	4:1:	C[5a]-3:C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHN)(OH)	C[6a](C[6a]C[6a]H)2(CC[5a]CO)	O(CC[5a]C[6a]C)(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHN)(OH)	C[6a](C[6a]C[6a]H)2(CC[5a]CO){1|C<3>,2|H<1>}	O(CC[5a]C[6a]C)(H)	110.1420	0.000	1	110.1420	0.000	1	108.4135	5.975	2	108.0979	5.323	375	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:3:4:	4:1:	C[6a]-3:C-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCH)(CNN)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCH)(CNN)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	111.3060	0.000	1	111.3060	0.000	1	110.6977	1.930	4	108.0979	5.323	375	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:3:4:	4:1:	C[6a]-3:C-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCO)(COO)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCO)(COO)(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(CCCO){2|C<3>}	O(CC[6a]CC)(H)	109.8150	0.000	1	109.8150	0.000	1	110.6977	1.930	4	108.0979	5.323	375	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:3:4:	4:1:	C[6a]-3:C-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CNO)(COO)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CNO)(COO)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	109.3180	0.000	1	109.3180	0.000	1	110.6977	1.930	4	108.0979	5.323	375	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:3:4:	4:1:	C[6a]-3:C-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CNP)(COO)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CNP)(COO)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]CC)(H)	112.3520	0.000	1	112.3520	0.000	1	110.6977	1.930	4	108.0979	5.323	375	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:3:4:	4:1:	C[6a]-3:C[5]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2)(COO)(OH)	C[6a](C[6a]C[6a]H)2(CC[5]CO)	O(CC[6a]C[5]C)(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(COO)(OH)	C[6a](C[6a]C[6a]H)2(CC[5]CO){1|C<3>,2|H<1>}	O(CC[6a]C[5]C)(H)	108.7590	0.000	1	108.7590	0.000	1	108.7590	0.000	1	108.0979	5.323	375	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:3:4:	4:1:	C[6a]-3:C[5]-3:C[5]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(C[5]N[5]2)2(OH)	C[6a](C[6a]C[6a]H)2(CC[5]2O)	O(CC[6a]C[5]2)(H)	C(C[6a]C[6a]2)(C[5]N[5]2)2(OH)	C[6a](C[6a]C[6a]H)2(CC[5]2O){1|C<3>,2|H<1>}	O(CC[6a]C[5]2)(H)	107.9905	0.728	2	107.9905	0.529	2	107.9905	0.529	2	108.0979	5.323	375	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:3:4:	4:1:	C[6a]-3:C[6]-3:C[6]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(C[6]C[6]2)2(OH)	C[6a](C[6a]C[6a]H)2(CC[6]2O)	O(CC[6a]C[6]2)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)2(OH)	C[6a](C[6a]C[6a]H)2(CC[6]2O){1|C<3>,2|H<1>}	O(CC[6a]C[6]2)(H)	108.5850	0.000	1	108.5850	0.000	1	108.5850	0.000	1	108.0979	5.323	375	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)2(CCC)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CCC)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	O(CC[6a]2C)(H)	108.5105	0.853	2	108.5105	0.728	2	108.6190	3.636	86	108.0979	5.323	375	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)2(CCH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CCH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	O(CC[6a]2C)(H)	107.8598	1.728	4	107.8598	2.987	4	108.6190	3.636	86	108.0979	5.323	375	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)2(CC[3]Se)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CC[3]Se)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	O(CC[6a]2C)(H)	107.1730	3.613	2	107.1730	13.056	2	108.6190	3.636	86	108.0979	5.323	375	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)2(CC[6a]N)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CC[6a]N)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	O(CC[6a]2C)(H)	107.7558	2.467	4	107.7558	6.086	4	108.6190	3.636	86	108.0979	5.323	375	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)2(CCuC)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CCuC)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	O(CC[6a]2C)(H)	107.0070	2.223	4	107.0070	4.940	4	108.6190	3.636	86	108.0979	5.323	375	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)2(CNO)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CNO)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	O(CC[6a]2C)(H)	109.6769	1.177	10	109.6769	1.384	10	108.6190	3.636	86	108.0979	5.323	375	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)2(COO)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(COO)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	O(CC[6a]2C)(H)	108.7101	1.883	60	108.7101	3.546	60	108.6190	3.636	86	108.0979	5.323	375	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5,6a]-3:C-4:	C-4:H-1:	C(C[6a]C[5,6a]2)3(OH)	C[6a](C[5,6a]C[5,6a]S[5])2(CC[6a]2O)	O(CC[6a]3)(H)	C(C[6a]C[5,6a]2)3(OH)	C[6a](C[5,6a]C[5,6a]S[5])2(CC[6a]2O){1|C<3>,2|C<4>,2|S<2>}	O(CC[6a]3)(H)	104.8967	3.367	3	104.8967	11.335	3	104.8967	11.335	3	108.0979	5.323	375	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CC[6a]2O)	O(CC[6a]3)(H)	C(C[6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CC[6a]2O){1|H<1>,4|C<3>}	O(CC[6a]3)(H)	105.0228	0.660	4	105.0228	0.435	4	105.0228	0.435	4	108.0979	5.323	375	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a,6a]2)(C[6a]C[6a]2)2(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[6a]2O)	O(CC[6a]3)(H)	C(C[6a]C[6a,6a]2)(C[6a]C[6a]2)2(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[6a]2O){2|H<1>,5|C<3>}	O(CC[6a]3)(H)	109.1200	0.253	2	109.1200	0.064	2	109.1200	0.064	2	108.0979	5.323	375	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]2O)	O(CC[6a]3)(H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]2O){2|H<1>,3|C<3>}	O(CC[6a]3)(H)	107.2510	3.871	2	107.2510	14.982	2	106.9177	7.825	3	108.0979	5.323	375	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(CC[6a]2O)	O(CC[6a]3)(H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(CC[6a]2O){1|H<1>,3|C<3>}	O(CC[6a]3)(H)	106.2510	0.000	1	106.2510	0.000	1	106.9177	7.825	3	108.0979	5.323	375	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C)2(CC[6a]2O)	O(CC[6a]3)(H)	C(C[6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C)2(CC[6a]2O){1|C<3>,2|H<1>}	O(CC[6a]3)(H)	108.2165	0.108	2	108.2165	0.012	2	107.9447	5.606	263	108.0979	5.323	375	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a,6a]2)(C[6a]C[6a]2)2(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2O)	O(CC[6a]3)(H)	C(C[6a]C[6a,6a]2)(C[6a]C[6a]2)2(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2O){1|C<3>,2|H<1>}	O(CC[6a]3)(H)	109.1225	1.021	4	109.1225	1.043	4	107.9447	5.606	263	108.0979	5.323	375	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CC[6a]2O)	O(CC[6a]3)(H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CC[6a]2O){1|H<1>,2|C<3>}	O(CC[6a]3)(H)	110.8890	0.000	1	110.8890	0.000	1	107.9447	5.606	263	108.0979	5.323	375	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2O)	O(CC[6a]3)(H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2O){1|C<3>,2|H<1>}	O(CC[6a]3)(H)	106.0210	0.000	1	106.0210	0.000	1	107.9447	5.606	263	108.0979	5.323	375	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	O(CC[6a]3)(H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,2|H<1>}	O(CC[6a]3)(H)	107.4137	2.833	4	107.4137	8.025	4	107.9447	5.606	263	108.0979	5.323	375	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]2O)	O(CC[6a]3)(H)	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]2O){1|H<1>,4|C<3>}	O(CC[6a]3)(H)	110.4048	2.590	4	110.4048	6.707	4	107.9447	5.606	263	108.0979	5.323	375	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CC[6a]2O)	O(CC[6a]3)(H)	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CC[6a]2O){1|H<1>,2|C<3>}	O(CC[6a]3)(H)	109.4250	0.000	1	109.4250	0.000	1	107.9447	5.606	263	108.0979	5.323	375	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CC[6a]2O)	O(CC[6a]3)(H)	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CC[6a]2O){1|H<1>,2|C<3>}	O(CC[6a]3)(H)	108.6268	4.639	4	108.6268	21.522	4	107.9447	5.606	263	108.0979	5.323	375	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]2O)	O(CC[6a]3)(H)	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]2O){1|H<1>,1|O<2>,3|C<3>}	O(CC[6a]3)(H)	106.6993	4.538	3	109.0591	6.566	14	107.9447	5.606	263	108.0979	5.323	375	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]2O)	O(CC[6a]3)(H)	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]2O){2|H<1>,3|C<3>}	O(CC[6a]3)(H)	109.7026	1.514	11	109.0591	6.566	14	107.9447	5.606	263	108.0979	5.323	375	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC[6a]2O)	O(CC[6a]3)(H)	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC[6a]2O){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	O(CC[6a]3)(H)	109.7590	0.597	2	109.7590	0.356	2	107.9447	5.606	263	108.0979	5.323	375	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]2O)	O(CC[6a]3)(H)	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]2O){1|C<3>,2|H<1>}	O(CC[6a]3)(H)	109.6390	0.158	2	109.6390	0.025	2	107.9447	5.606	263	108.0979	5.323	375	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6a]2O)	O(CC[6a]3)(H)	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6a]2O){1|C<3>,2|H<1>}	O(CC[6a]3)(H)	108.5630	0.000	1	108.5630	0.000	1	107.9447	5.606	263	108.0979	5.323	375	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2O)	O(CC[6a]3)(H)	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2O){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]3)(H)	110.0060	0.611	3	109.5838	5.140	5	107.9447	5.606	263	108.0979	5.323	375	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2O)	O(CC[6a]3)(H)	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2O){1|C<3>,2|H<1>}	O(CC[6a]3)(H)	108.9505	4.299	2	109.5838	5.140	5	107.9447	5.606	263	108.0979	5.323	375	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2O)	O(CC[6a]3)(H)	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2O){1|C<3>,2|C<4>}	O(CC[6a]3)(H)	107.2353	2.511	3	107.1679	3.920	7	107.9447	5.606	263	108.0979	5.323	375	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2O)	O(CC[6a]3)(H)	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2O){1|C<3>,2|H<1>}	O(CC[6a]3)(H)	104.4140	0.000	1	107.1679	3.920	7	107.9447	5.606	263	108.0979	5.323	375	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2O)	O(CC[6a]3)(H)	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2O){1|C<4>,2|C<3>}	O(CC[6a]3)(H)	108.4400	0.269	2	107.1679	3.920	7	107.9447	5.606	263	108.0979	5.323	375	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2O)	O(CC[6a]3)(H)	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2O){1|H<1>,2|C<3>}	O(CC[6a]3)(H)	107.1750	0.000	1	107.1679	3.920	7	107.9447	5.606	263	108.0979	5.323	375	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]2O)	O(CC[6a]3)(H)	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]2O){1|C<3>,2|H<1>}	O(CC[6a]3)(H)	108.4685	0.784	2	108.4685	0.615	2	107.9447	5.606	263	108.0979	5.323	375	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	O(CC[6a]3)(H)	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,1|H<1>,1|N<2>}	O(CC[6a]3)(H)	107.1550	0.000	1	107.7831	5.625	188	107.9447	5.606	263	108.0979	5.323	375	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	O(CC[6a]3)(H)	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,2|C<4>}	O(CC[6a]3)(H)	107.0105	3.015	4	107.7831	5.625	188	107.9447	5.606	263	108.0979	5.323	375	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	O(CC[6a]3)(H)	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,2|H<1>}	O(CC[6a]3)(H)	107.8149	2.369	179	107.7831	5.625	188	107.9447	5.606	263	108.0979	5.323	375	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	O(CC[6a]3)(H)	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|H<1>,2|C<3>}	O(CC[6a]3)(H)	107.7767	3.066	3	107.7831	5.625	188	107.9447	5.606	263	108.0979	5.323	375	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	O(CC[6a]3)(H)	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|N<2>,2|H<1>}	O(CC[6a]3)(H)	105.8410	0.000	1	107.7831	5.625	188	107.9447	5.606	263	108.0979	5.323	375	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CC[6a]2O)	O(CC[6a]3)(H)	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CC[6a]2O){1|C<4>,2|C<3>,2|H<1>}	O(CC[6a]3)(H)	108.4460	0.000	1	108.4460	0.000	1	107.9447	5.606	263	108.0979	5.323	375	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CC[6a]2O)	O(CC[6a]3)(H)	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CC[6a]2O){2|H<1>,3|C<3>}	O(CC[6a]3)(H)	108.0320	0.000	1	108.0320	0.000	1	107.9447	5.606	263	108.0979	5.323	375	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]2O)	O(CC[6a]3)(H)	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]2O){1|C<4>,1|H<1>,1|N<2>}	O(CC[6a]3)(H)	106.4320	5.585	2	106.4320	31.189	2	107.9447	5.606	263	108.0979	5.323	375	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]N[6a]H)2(CC[6a]2O)	O(CC[6a]3)(H)	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]N[6a]H)2(CC[6a]2O){1|C<3>}	O(CC[6a]3)(H)	105.2280	0.512	2	105.2280	0.262	2	107.9447	5.606	263	108.0979	5.323	375	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)2(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	O(CC[6a]3)(H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)2(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,2|H<1>}	O(CC[6a]3)(H)	107.8670	1.843	4	107.8670	3.397	4	107.9447	5.606	263	108.0979	5.323	375	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]N[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	O(CC[6a]3)(H)	C(C[6a]C[6a]N[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]3)(H)	107.4070	0.870	8	107.3380	0.869	11	107.9447	5.606	263	108.0979	5.323	375	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]N[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	O(CC[6a]3)(H)	C(C[6a]C[6a]N[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,2|H<1>}	O(CC[6a]3)(H)	107.1540	1.274	3	107.3380	0.869	11	107.9447	5.606	263	108.0979	5.323	375	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:	C(C[6a]C[6a]2)2(COO)(OO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	O(CC[6a]2C)(OC)	C(C[6a]C[6a]2)2(COO)(OO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	O(CC[6a]2C)(OC)	110.2290	0.649	2	110.2290	0.421	2	110.2290	0.421	2	108.1784	29.740	5	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:	C(C[6a]C[6a]2)3(OO)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	O(CC[6a]3)(OC)	C(C[6a]C[6a]2)3(OO)	C[6a](C[6a]C[6a]H)2(CC[6a]2O){3|C<3>}	O(CC[6a]3)(OC)	106.8113	7.229	3	106.8113	52.260	3	106.8113	52.260	3	108.1784	29.740	5	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:N-3:	C(C[6a]C[6a]2)3(ON)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	O(CC[6a]3)(NHH)	C(C[6a]C[6a]2)3(ON)	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,2|H<1>}	O(CC[6a]3)(NHH)	107.3983	3.135	6	107.3983	9.828	6	107.3983	9.828	6	107.3983	9.828	6	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:3:4:	4:4:	C[5]-3:C[5]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[5]N[5]S[5])2(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]Bi)(C[6a]C[6a]H)(CC[5]2O)	O(CC[6a]C[5]2)(CH3)	C(C[5]N[5]S[5])2(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]Bi)(C[6a]C[6a]H)(CC[5]2O){1|C<3>,2|H<1>}	O(CC[6a]C[5]2)(CH3)	113.6663	0.316	3	113.6663	0.100	3	113.6663	0.100	3	107.9883	6.966	133	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:3:4:	4:4:	C[5a]-3:C[5a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[5a]N[5a]2)2(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]2O)	O(CC[5a]2C[6a])(CH3)	C(C[5a]N[5a]2)2(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]2O){1|C<3>,2|H<1>}	O(CC[5a]2C[6a])(CH3)	103.7950	0.000	1	103.7950	0.000	1	108.4735	43.777	2	107.9883	6.966	133	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:3:4:	4:4:	C[5a]-3:C[5a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[5a]N[5a]S[5a])2(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5a]2O)	O(CC[5a]2C[6a])(CH3)	C(C[5a]N[5a]S[5a])2(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5a]2O){1|C<3>,2|H<1>}	O(CC[5a]2C[6a])(CH3)	113.1520	0.000	1	113.1520	0.000	1	108.4735	43.777	2	107.9883	6.966	133	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:3:4:	4:4:	C[6]-3:C[6]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6]C[6]N[6])2(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]H)2(CC[6]2O)	O(CC[6a]C[6]2)(CH3)	C(C[6]C[6]N[6])2(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]H)2(CC[6]2O){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]C[6]2)(CH3)	104.6390	0.000	1	104.6390	0.000	1	104.6390	0.000	1	107.9883	6.966	133	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:3:4:	4:4:	C[6a]-3:C[5]-3:C[5]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(C[5]N[5]2)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]2O)	O(CC[6a]C[5]2)(CH3)	C(C[6a]C[6a]2)(C[5]N[5]2)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]2O){1|C<3>,2|H<1>}	O(CC[6a]C[5]2)(CH3)	108.5970	0.426	3	108.5970	0.181	3	107.7042	0.513	11	107.9883	6.966	133	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:3:4:	4:4:	C[6a]-3:C[5]-3:C[5]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(C[5]N[5]2)2(OC)	C[6a](C[6a]C[6a]H)2(CC[5]2O)	O(CC[6a]C[5]2)(CH3)	C(C[6a]C[6a]2)(C[5]N[5]2)2(OC)	C[6a](C[6a]C[6a]H)2(CC[5]2O){1|C<3>,2|H<1>}	O(CC[6a]C[5]2)(CH3)	107.3694	0.459	8	107.3694	0.211	8	107.7042	0.513	11	107.9883	6.966	133	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)2(COO)(OC)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	O(CC[6a]2C)(CCHH)	C(C[6a]C[6a]2)2(COO)(OC)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	O(CC[6a]2C)(CCHH)	107.5895	2.856	2	107.5895	8.157	2	107.5895	8.157	2	107.9883	6.966	133	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]2O)	O(CC[6a]3)2	C(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]2O){1|C<4>,1|H<1>,3|C<3>}	O(CC[6a]3)2	109.9590	0.000	1	110.7693	1.581	3	107.8936	6.786	111	107.9883	6.966	133	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]2O)	O(CC[6a]3)2	C(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]2O){2|H<1>,3|C<3>}	O(CC[6a]3)2	111.1745	1.476	2	110.7693	1.581	3	107.8936	6.786	111	107.9883	6.966	133	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2O)	O(CC[6a]3)(CH3)	C(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2O){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]3)(CH3)	109.5140	0.717	2	109.5140	0.514	2	107.8936	6.786	111	107.9883	6.966	133	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	O(CC[4]HH)(CC[6a]3)	C(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,2|H<1>}	O(CC[4]HH)(CC[6a]3)	107.9901	2.623	18	107.9901	6.882	18	107.8936	6.786	111	107.9883	6.966	133	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	O(CC[5]HH)(CC[6a]3)	C(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,2|H<1>}	O(CC[5]HH)(CC[6a]3)	107.6857	2.422	27	107.6857	5.868	27	107.8936	6.786	111	107.9883	6.966	133	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	O(CC[6]HH)(CC[6a]3)	C(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,2|H<1>}	O(CC[6]HH)(CC[6a]3)	107.6526	2.851	15	107.6526	8.128	15	107.8936	6.786	111	107.9883	6.966	133	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	O(CC[6a]3)(CCHH)	C(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,2|H<1>}	O(CC[6a]3)(CCHH)	107.9642	2.535	24	107.9642	6.428	24	107.8936	6.786	111	107.9883	6.966	133	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	O(CC[6a]3)(CH3)	C(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,2|H<1>}	O(CC[6a]3)(CH3)	107.8290	2.379	13	107.8290	5.659	13	107.8936	6.786	111	107.9883	6.966	133	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	O(CC[6a]3)2	C(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,2|H<1>}	O(CC[6a]3)2	107.1960	4.299	6	107.1960	18.485	6	107.8936	6.786	111	107.9883	6.966	133	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	O(CC[6a]CH)(CC[6a]3)	C(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,2|H<1>}	O(CC[6a]CH)(CC[6a]3)	107.5433	2.784	3	107.5433	7.752	3	107.8936	6.786	111	107.9883	6.966	133	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:Si-4:	C(C[6a]C[6a]2)3(OSi)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	O(CC[6a]3)(SiC3)	C(C[6a]C[6a]2)3(OSi)	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,2|H<1>}	O(CC[6a]3)(SiC3)	107.9173	1.604	3	107.9173	2.571	3	107.9173	2.571	3	107.9883	6.966	133	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	4:3:2:	4:1:	C[5,6]-3:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:N[6a]-2:	C-4:H-1:	C(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(OH)	C[6a](CC[5,6]C[6a]O)(C[6a]C[6a]H)(N[6a]C[6a])	O(CC[5,6]C[6a]2)(H)	C(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(OH)	C[6a](CC[5,6]C[6a]O)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	O(CC[5,6]C[6a]2)(H)	108.9480	0.000	1	108.9480	0.000	1	108.9480	0.000	1	108.9480	0.000	1	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	4:3:3:	4:1:	C[5,6]-3:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:H-1:	C(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(OH)	C[6a](CC[5,6]C[6a]O)(C[6a]C[6a]H)2	O(CC[5,6]C[6a]2)(H)	C(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(OH)	C[6a](CC[5,6]C[6a]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	O(CC[5,6]C[6a]2)(H)	107.7340	0.000	1	107.7340	0.000	1	107.7340	0.000	1	108.3272	5.016	79	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	4:3:3:	4:1:	C[5]-3:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:H-1:	C(C[5]N[5]O[5])(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	O(CC[6a]2C[5])(H)	C(C[5]N[5]O[5])(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	O(CC[6a]2C[5])(H)	109.8240	1.196	2	109.8240	1.431	2	109.8240	1.431	2	108.3272	5.016	79	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	4:3:3:	4:1:	C[5a]-3:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:H-1:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(OH)	C[6a](CC[5a]C[6a]O)(C[6a]C[6a]H)2	O(CC[5a]C[6a]2)(H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(OH)	C[6a](CC[5a]C[6a]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	O(CC[5a]C[6a]2)(H)	108.5190	1.024	2	108.5190	1.048	2	107.9452	8.120	16	108.3272	5.016	79	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	4:3:3:	4:1:	C[5a]-3:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:H-1:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(OH)	C[6a](CC[5a]C[6a]O)(C[6a]C[6a]H)2	O(CC[5a]C[6a]2)(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(OH)	C[6a](CC[5a]C[6a]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	O(CC[5a]C[6a]2)(H)	107.6251	3.137	8	107.6251	9.843	8	107.9452	8.120	16	108.3272	5.016	79	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	4:3:3:	4:1:	C[5a]-3:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:H-1:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)2(OH)	C[6a](CC[5a]C[6a]O)(C[6a]C[6a]H)2	O(CC[5a]C[6a]2)(H)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)2(OH)	C[6a](CC[5a]C[6a]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	O(CC[5a]C[6a]2)(H)	108.3825	5.085	2	108.3825	25.855	2	107.9452	8.120	16	108.3272	5.016	79	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	4:3:3:	4:1:	C[5a]-3:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:H-1:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2(OH)	C[6a](CC[5a]C[6a]O)(C[6a]C[6a]H)2	O(CC[5a]C[6a]2)(H)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2(OH)	C[6a](CC[5a]C[6a]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	O(CC[5a]C[6a]2)(H)	108.0798	2.832	4	108.0798	8.020	4	107.9452	8.120	16	108.3272	5.016	79	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	4:3:3:	4:1:	C[6,6]-3:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:H-1:	C(C[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)2(OH)	C[6a](CC[6,6]C[6a]O)(C[6a]C[6a]H)2	O(CC[6,6]C[6a]2)(H)	C(C[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)2(OH)	C[6a](CC[6,6]C[6a]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	O(CC[6,6]C[6a]2)(H)	106.6846	2.026	8	106.6846	4.106	8	106.6846	4.106	8	108.3272	5.016	79	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	4:3:3:	4:1:	C[6]-3:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:H-1:	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2	O(CC[6a]2C[6])(H)	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	O(CC[6a]2C[6])(H)	107.9398	1.488	4	107.9398	2.214	4	107.9398	2.214	4	108.3272	5.016	79	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	4:3:3:	4:1:	C[6a]-3:C[6a]-3:C[5]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:H-1:	C(C[6a]C[6a]2)2(C[5]C[5]2)(OH)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	O(CC[6a]2C[5])(H)	C(C[6a]C[6a]2)2(C[5]C[5]2)(OH)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	O(CC[6a]2C[5])(H)	110.4155	0.301	2	110.4155	0.090	2	110.4155	0.090	2	108.3272	5.016	79	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	4:3:3:	4:1:	C[6a]-3:C[6a]-3:C[6]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:H-1:	C(C[6a]C[6a]2)2(C[6]C[6]2)(OH)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2	O(CC[6a]2C[6])(H)	C(C[6a]C[6a]2)2(C[6]C[6]2)(OH)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	O(CC[6a]2C[6])(H)	108.6365	2.055	46	108.6365	4.224	46	108.6365	4.224	46	108.3272	5.016	79	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	4:3:3:	4:4:	C[6]-3:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C-4:	C(C[6]C[6]O[6])(C[6a]C[6a]2)2(OC)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2	O(CC[6a]2C[6])(CCHH)	C(C[6]C[6]O[6])(C[6a]C[6a]2)2(OC)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	O(CC[6a]2C[6])(CCHH)	106.8235	4.386	2	106.8235	19.239	2	106.8235	19.239	2	107.8795	8.675	4	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:3:2:	4:3:3:	4:4:	C[6a]-3:C[6a]-3:C[6]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C-4:	C(C[6a]C[6a]2)2(C[6]C[6]2)(OC)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2	O(CC[6a]2C[6])(CC[6]HH)	C(C[6a]C[6a]2)2(C[6]C[6]2)(OC)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	O(CC[6a]2C[6])(CC[6]HH)	108.9355	1.525	2	108.9355	2.326	2	108.9355	2.326	2	107.8795	8.675	4	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:4:2:	3:2:4:	4:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)(OC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CO)	O(CC[6a]2C)(CCHH)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)(OC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CO){1|C<3>,2|H<1>}	O(CC[6a]2C)(CCHH)	104.5900	0.000	1	104.5900	0.000	1	106.8760	6.625	3	106.8760	6.625	3	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:4:2:	3:2:4:	4:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:	C(C[6a]C[6a]N[6a])2(CCHH)(OC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CO)	O(CC[6a]2C)(CH3)	C(C[6a]C[6a]N[6a])2(CCHH)(OC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CO){1|H<1>,2|C<3>}	O(CC[6a]2C)(CH3)	108.0190	2.326	2	108.0190	5.412	2	106.8760	6.625	3	106.8760	6.625	3	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:4:2:	3:3:4:	4:1:	C[5]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CF3)(OH)	C[6a](C[6a]C[6a]H)2(CC[5]CO)	O(CC[6a]C[5]C)(H)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CF3)(OH)	C[6a](C[6a]C[6a]H)2(CC[5]CO){1|C<3>,2|H<1>}	O(CC[6a]C[5]C)(H)	107.5050	0.000	1	107.5050	0.000	1	107.5050	0.000	1	108.4247	4.426	257	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:4:2:	3:3:4:	4:1:	C[5a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CF3)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CC[5a]CO)	O(CC[5a]C[6a]C)(H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CF3)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CC[5a]CO){2|C<3>}	O(CC[5a]C[6a]C)(H)	111.6330	0.000	1	111.6330	0.000	1	108.7975	5.930	4	108.4247	4.426	257	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:4:2:	3:3:4:	4:1:	C[5a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CBrHH)(OH)	C[6a](C[6a]C[6a]H)2(CC[5a]CO)	O(CC[5a]C[6a]C)(H)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CBrHH)(OH)	C[6a](C[6a]C[6a]H)2(CC[5a]CO){1|C<3>,2|H<1>}	O(CC[5a]C[6a]C)(H)	106.5150	0.000	1	106.5150	0.000	1	108.7975	5.930	4	108.4247	4.426	257	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:4:2:	3:3:4:	4:1:	C[5a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CCHH)(OH)	C[6a](C[6a]C[6a]H)2(CC[5a]CO)	O(CC[5a]C[6a]C)(H)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CCHH)(OH)	C[6a](C[6a]C[6a]H)2(CC[5a]CO){1|C<3>,2|H<1>}	O(CC[5a]C[6a]C)(H)	108.5210	2.094	2	108.5210	4.387	2	108.7975	5.930	4	108.4247	4.426	257	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:4:2:	3:3:4:	4:1:	C[6a]-3:C-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[5a]O)(CF3)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[5a]O)(CF3)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	109.4110	0.000	1	109.4110	0.000	1	109.1755	0.111	2	108.4247	4.426	257	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:4:2:	3:3:4:	4:1:	C[6a]-3:C-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]O)(CHHN)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]O)(CHHN)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	108.9400	0.000	1	108.9400	0.000	1	109.1755	0.111	2	108.4247	4.426	257	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:4:2:	3:3:4:	4:1:	C[6a]-3:C[5a]-3:C-4:O-2:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6,6]HH)(OH)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CC[5a]CO)	O(CC[5a]C[6a]C)(H)	C(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6,6]HH)(OH)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CC[5a]CO){2|H<1>,3|C<3>}	O(CC[5a]C[6a]C)(H)	105.8260	0.000	1	105.8260	0.000	1	105.8260	0.000	1	108.4247	4.426	257	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:4:2:	3:3:4:	4:1:	C[6a]-3:C[6]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(C[6]C[6]2)(CC[6a]HH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6]CO)	O(CC[6a]C[6]C)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(CC[6a]HH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6]CO){1|C<3>,2|H<1>}	O(CC[6a]C[6]C)(H)	107.4730	0.107	2	107.4730	0.012	2	107.4730	0.012	2	108.4247	4.426	257	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:4:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]2O)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]CO)	O(CC[6a]2C)(H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]2O)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]CO){2|H<1>,3|C<3>}	O(CC[6a]2C)(H)	105.9075	0.081	2	105.9075	0.007	2	105.9075	0.007	2	108.4247	4.426	257	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:4:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]2O)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	O(CC[6a]2C)(H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]2O)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	O(CC[6a]2C)(H)	110.4075	0.614	2	110.4075	0.378	2	108.4320	4.450	238	108.4247	4.426	257	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:4:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)2(CAs[5,5]HH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CAs[5,5]HH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	O(CC[6a]2C)(H)	108.0095	2.412	2	108.0095	5.817	2	108.4320	4.450	238	108.4247	4.426	257	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:4:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)2(CCCH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CCCH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	O(CC[6a]2C)(H)	108.2090	3.931	4	108.2090	15.451	4	108.4320	4.450	238	108.4247	4.426	257	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:4:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)2(CCFH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CCFH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	O(CC[6a]2C)(H)	109.2300	2.635	2	109.2300	6.942	2	108.4320	4.450	238	108.4247	4.426	257	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:4:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)2(CCHH)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CO)	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CCHH)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CO){1|C<3>,2|H<1>}	O(CC[6a]2C)(H)	108.6659	1.909	16	108.6659	3.645	16	108.4320	4.450	238	108.4247	4.426	257	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:4:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)2(CCHH)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC[6a]CO)	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CCHH)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC[6a]CO){1|C<3>,2|H<1>}	O(CC[6a]2C)(H)	106.4455	0.046	2	106.4455	0.002	2	108.4320	4.450	238	108.4247	4.426	257	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:4:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)2(CCHH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CCHH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	O(CC[6a]2C)(H)	108.3686	2.367	22	108.3686	5.604	22	108.4320	4.450	238	108.4247	4.426	257	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:4:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)2(CCHN)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CCHN)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]2C)(H)	109.7535	1.715	4	108.8921	5.126	26	108.4320	4.450	238	108.4247	4.426	257	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:4:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)2(CCHN)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CCHN)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	O(CC[6a]2C)(H)	108.7355	2.348	22	108.8921	5.126	26	108.4320	4.450	238	108.4247	4.426	257	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:4:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)2(CCHO)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CCHO)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	O(CC[6a]2C)(H)	108.2983	2.748	12	108.2983	7.550	12	108.4320	4.450	238	108.4247	4.426	257	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:4:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)2(CC[5]HH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CC[5]HH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	O(CC[6a]2C)(H)	107.7605	3.453	2	107.7605	11.922	2	108.4320	4.450	238	108.4247	4.426	257	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:4:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)2(CC[6]HO)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CC[6]HO)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	O(CC[6a]2C)(H)	108.1215	0.934	2	108.1215	0.873	2	108.4320	4.450	238	108.4247	4.426	257	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:4:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)2(CC[6a]2O)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CO)	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CC[6a]2O)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CO){1|C<3>,2|H<1>}	O(CC[6a]2C)(H)	111.0750	0.000	1	111.0750	0.000	1	108.4320	4.450	238	108.4247	4.426	257	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:4:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)2(CC[6a]2O)(OH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]CO)	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CC[6a]2O)(OH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]CO){1|C<3>,2|H<1>}	O(CC[6a]2C)(H)	109.8500	0.000	1	109.8500	0.000	1	108.4320	4.450	238	108.4247	4.426	257	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:4:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)2(CC[6a]2O)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CC[6a]2O)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]2C)(H)	110.9190	0.000	1	109.6121	1.388	14	108.4320	4.450	238	108.4247	4.426	257	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:4:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)2(CC[6a]2O)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CC[6a]2O)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	O(CC[6a]2C)(H)	109.5115	1.162	13	109.6121	1.388	14	108.4320	4.450	238	108.4247	4.426	257	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:4:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)2(CC[6a]CC)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CC[6a]CC)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]2C)(H)	106.6690	0.689	2	108.1705	1.613	6	108.4320	4.450	238	108.4247	4.426	257	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:4:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)2(CC[6a]CC)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CC[6a]CC)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	O(CC[6a]2C)(H)	108.9213	0.525	4	108.1705	1.613	6	108.4320	4.450	238	108.4247	4.426	257	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:4:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)2(CC[6a]CH)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CO)	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CC[6a]CH)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CO){1|C<3>,2|H<1>}	O(CC[6a]2C)(H)	108.6000	0.178	3	108.6000	0.032	3	108.4320	4.450	238	108.4247	4.426	257	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:4:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)2(CC[6a]CH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CC[6a]CH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]2C)(H)	109.4580	0.396	2	107.8400	1.773	45	108.4320	4.450	238	108.4247	4.426	257	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:4:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)2(CC[6a]CH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CC[6a]CH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	O(CC[6a]2C)(H)	107.7206	1.329	41	107.8400	1.773	45	108.4320	4.450	238	108.4247	4.426	257	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:4:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)2(CC[6a]CH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CC[6a]CH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|N<2>,2|H<1>}	O(CC[6a]2C)(H)	108.6690	0.170	2	107.8400	1.773	45	108.4320	4.450	238	108.4247	4.426	257	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:4:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)2(CC[6a]HH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CC[6a]HH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	O(CC[6a]2C)(H)	108.0608	1.670	13	107.9979	2.629	14	108.4320	4.450	238	108.4247	4.426	257	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:4:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)2(CC[6a]HH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CC[6a]HH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|N<2>,2|H<1>}	O(CC[6a]2C)(H)	107.1800	0.000	1	107.9979	2.629	14	108.4320	4.450	238	108.4247	4.426	257	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:4:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)2(CC[6a]HO)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CC[6a]HO)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	O(CC[6a]2C)(H)	108.0123	1.320	6	108.0123	1.742	6	108.4320	4.450	238	108.4247	4.426	257	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:4:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)2(CC[6a]HS)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CC[6a]HS)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	O(CC[6a]2C)(H)	108.1360	3.260	2	108.1360	10.626	2	108.4320	4.450	238	108.4247	4.426	257	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:4:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)2(CCo2C)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CO)	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CCo2C)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CO){1|C<3>,2|H<1>}	O(CC[6a]2C)(H)	108.1476	1.765	10	108.1476	3.115	10	108.4320	4.450	238	108.4247	4.426	257	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:4:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)2(CF3)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[6a]CO)	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CF3)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[6a]CO){1|C<3>,2|H<1>}	O(CC[6a]2C)(H)	111.4505	4.859	4	111.4505	23.612	4	108.4320	4.450	238	108.4247	4.426	257	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:4:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)2(CH3)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CC[6a]CO)	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CH3)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CC[6a]CO){2|C<3>}	O(CC[6a]2C)(H)	109.2010	0.000	1	109.2010	0.000	1	108.4320	4.450	238	108.4247	4.426	257	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:4:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)2(CH3)(OH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CC[6a]CO)	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CH3)(OH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CC[6a]CO){1|H<1>,2|C<3>}	O(CC[6a]2C)(H)	110.6670	0.000	1	110.6670	0.000	1	108.4320	4.450	238	108.4247	4.426	257	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:4:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)2(CH3)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CO)	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CH3)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CO){1|C<3>,2|H<1>}	O(CC[6a]2C)(H)	109.3370	0.391	3	109.3370	0.153	3	108.4320	4.450	238	108.4247	4.426	257	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:4:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)2(CH3)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[6a]CO)	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CH3)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[6a]CO){1|C<3>,2|H<1>}	O(CC[6a]2C)(H)	108.4860	0.000	1	108.4860	0.000	1	108.4320	4.450	238	108.4247	4.426	257	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:4:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)2(CH3)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]CO)	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CH3)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]CO){1|C<3>,2|H<1>}	O(CC[6a]2C)(H)	104.8185	0.391	2	104.8185	0.153	2	108.4320	4.450	238	108.4247	4.426	257	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:4:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)2(CH3)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CH3)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	O(CC[6a]2C)(H)	110.3167	2.499	4	110.3167	6.243	4	108.4320	4.450	238	108.4247	4.426	257	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:4:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)2(CHHN)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CHHN)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	O(CC[6a]2C)(H)	108.2171	2.819	8	108.2171	7.949	8	108.4320	4.450	238	108.4247	4.426	257	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:4:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)2(CHHP)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CHHP)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	O(CC[6a]2C)(H)	108.0740	2.973	8	108.0740	8.840	8	108.4320	4.450	238	108.4247	4.426	257	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:4:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)2(CN[5a]2H)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CN[5a]2H)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	O(CC[6a]2C)(H)	108.7775	2.337	2	108.7775	5.462	2	108.4320	4.450	238	108.4247	4.426	257	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:4:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)2(CN[5a]HH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CN[5a]HH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	O(CC[6a]2C)(H)	108.4950	1.701	2	108.4950	2.894	2	108.4320	4.450	238	108.4247	4.426	257	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:4:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)2(CP[5,5]HH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CP[5,5]HH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	O(CC[6a]2C)(H)	107.3380	2.324	4	107.3380	5.402	4	108.4320	4.450	238	108.4247	4.426	257	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:4:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)2(CPtCH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CPtCH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	O(CC[6a]2C)(H)	108.4465	0.958	2	108.4465	0.918	2	108.4320	4.450	238	108.4247	4.426	257	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:4:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)2(CRuCC)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CRuCC)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	O(CC[6a]2C)(H)	107.6940	3.589	2	107.6940	12.883	2	108.4320	4.450	238	108.4247	4.426	257	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:4:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C[5]-4:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a,6a]C[6a])2(C[5]C[5]O[5]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CC[6a]C[5]O)	O(CC[6a]2C[5])(H)	C(C[6a]C[6a,6a]C[6a])2(C[5]C[5]O[5]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CC[6a]C[5]O){1|H<1>,4|C<3>}	O(CC[6a]2C[5])(H)	107.4728	0.931	4	107.4728	0.868	4	107.4728	0.868	4	108.4247	4.426	257	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:4:2:	3:3:4:	4:1:	C[6a]-3:N[5]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(N[5]C[5]2)(CF3)(OH)	C[6a](C[6a]C[6a]H)2(CN[5]CO)	O(CC[6a]N[5]C)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(CF3)(OH)	C[6a](C[6a]C[6a]H)2(CN[5]CO){1|C<3>,2|H<1>}	O(CC[6a]N[5]C)(H)	111.6037	0.367	3	111.6037	0.135	3	111.6037	0.135	3	108.4247	4.426	257	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:4:2:	3:3:4:	4:4:	C[6]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)(OC)	C[6a](C[6a]C[6a]H)2(CC[6]CO)	O(CC[6a]C[6]C)(CCHH)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)(OC)	C[6a](C[6a]C[6a]H)2(CC[6]CO){1|C<3>,2|H<1>}	O(CC[6a]C[6]C)(CCHH)	109.2085	0.404	2	109.2085	0.163	2	109.2085	0.163	2	108.2333	3.701	18	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:4:2:	3:3:4:	4:4:	C[6a]-3:C-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CN[4]O)(CF3)(OC)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(CH3)	C(C[6a]C[6a]2)(CN[4]O)(CF3)(OC)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(CH3)	106.7855	1.153	2	106.7855	1.330	2	107.5888	1.011	5	108.2333	3.701	18	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:4:2:	3:3:4:	4:4:	C[6a]-3:C-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CN[5a]O)(CF3)(OC)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(CH3)	C(C[6a]C[6a]2)(CN[5a]O)(CF3)(OC)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(CH3)	107.8610	0.000	1	107.8610	0.000	1	107.5888	1.011	5	108.2333	3.701	18	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:4:2:	3:3:4:	4:4:	C[6a]-3:C-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CN[6]O)(CF3)(OC)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(CH3)	C(C[6a]C[6a]2)(CN[6]O)(CF3)(OC)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(CH3)	108.2560	0.679	2	108.2560	0.461	2	107.5888	1.011	5	108.2333	3.701	18	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:4:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)2(CCHN)(OC)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	O(CC[6a]2C)(CHHO)	C(C[6a]C[6a]2)2(CCHN)(OC)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	O(CC[6a]2C)(CHHO)	107.8275	3.655	2	107.8275	13.359	2	108.6900	7.189	5	108.2333	3.701	18	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:4:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)2(CHHS)(OC)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	O(CC[6a]2C)(CH3)	C(C[6a]C[6a]2)2(CHHS)(OC)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	O(CC[6a]2C)(CH3)	108.8195	3.425	2	108.8195	11.727	2	108.6900	7.189	5	108.2333	3.701	18	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:4:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)(OC)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	O(CC[6a]2C)(CCHH)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)(OC)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	O(CC[6a]2C)(CCHH)	110.1560	0.000	1	110.1560	0.000	1	108.6900	7.189	5	108.2333	3.701	18	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:4:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:Ga-4:	C(C[6a]C[6a]2)2(CH3)(OGa)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	O(CC[6a]2C)(GaC[6]CC)	C(C[6a]C[6a]2)2(CH3)(OGa)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	O(CC[6a]2C)(GaC[6]CC)	108.8945	0.791	2	108.8945	0.626	2	108.8945	0.626	2	108.2333	3.701	18	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:4:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:In-4:	C(C[6a]C[6a]2)2(CH3)(OIn)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	O(CC[6a]2C)(InC[6]CC)	C(C[6a]C[6a]2)2(CH3)(OIn)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	O(CC[6a]2C)(InC[6]CC)	109.3905	0.525	2	109.3905	0.276	2	109.3905	0.276	2	108.2333	3.701	18	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:4:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:P-4:	C(C[6a]C[6a]2)2(CC[6a]CH)(OP)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	O(CC[6a]2C)(PO3)	C(C[6a]C[6a]2)2(CC[6a]CH)(OP)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	O(CC[6a]2C)(PO3)	108.1080	0.000	1	105.9095	9.667	2	105.9095	9.667	2	108.2333	3.701	18	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:4:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:P-4:	C(C[6a]C[6a]2)2(CC[6a]CH)(OP)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	O(CC[6a]2C)(PO3)	C(C[6a]C[6a]2)2(CC[6a]CH)(OP)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|N<2>,2|H<1>}	O(CC[6a]2C)(PO3)	103.7110	0.000	1	105.9095	9.667	2	105.9095	9.667	2	108.2333	3.701	18	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:4:2:	4:3:3:	4:1:	C[6a]-3:C[6a]-3:C[3]-4:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:H-1:	C(C[6a]C[6a]2)2(C[3]C[3]2H)(OH)	C[6a](CC[6a]C[3]O)(C[6a]C[6a]H)2	O(CC[6a]2C[3])(H)	C(C[6a]C[6a]2)2(C[3]C[3]2H)(OH)	C[6a](CC[6a]C[3]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	O(CC[6a]2C[3])(H)	107.5638	0.581	6	107.5638	0.338	6	107.5638	0.338	6	107.8445	2.565	10	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:4:2:	4:3:3:	4:1:	C[6a]-3:C[6a]-3:C[5]-4:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:H-1:	C(C[6a]C[6a]2)2(C[5]C[5]2H)(OH)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	O(CC[6a]2C[5])(H)	C(C[6a]C[6a]2)2(C[5]C[5]2H)(OH)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	O(CC[6a]2C[5])(H)	108.6835	3.000	2	108.6835	9.002	2	108.6835	9.002	2	107.8445	2.565	10	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:3:4:2:	4:3:3:	4:1:	C[6a]-3:C[6a]-3:C[6]-4:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:H-1:	C(C[6a]C[6a]2)2(C[6]C[6]2H)(OH)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2	O(CC[6a]2C[6])(H)	C(C[6a]C[6a]2)2(C[6]C[6]2H)(OH)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	O(CC[6a]2C[6])(H)	107.8475	3.242	2	107.8475	10.511	2	107.8475	10.511	2	107.8445	2.565	10	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	2:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	N[6a]-2:N[6a]-3:C-4:	C-4:H-1:	C(C[6a]N[6a]2)(CH3)(OH)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]N[6a]2)(CH3)(OH)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHO){1|O<1>,2|C<3>}	O(CC[6a]CH)(H)	109.8600	1.345	2	109.8600	1.809	2	109.8600	1.809	2	109.8600	1.809	2	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	2:3:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	N[6a]-2:N[6a]-3:C-4:	C-4:Si-4:	C(C[6a]N[6a]2)(CCCH)(OSi)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHO)	O(CC[6a]CH)(SiC3)	C(C[6a]N[6a]2)(CCCH)(OSi)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHO){1|O<1>,2|C<3>}	O(CC[6a]CH)(SiC3)	109.6723	1.310	3	109.6723	1.716	3	108.3253	8.402	4	108.3253	8.402	4	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	2:3:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	N[6a]-2:N[6a]-3:C-4:	C-4:Si-4:	C(C[6a]N[6a]2)(CH3)(OSi)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHO)	O(CC[6a]CH)(SiC3)	C(C[6a]N[6a]2)(CH3)(OSi)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHO){1|O<1>,2|C<3>}	O(CC[6a]CH)(SiC3)	104.2840	0.000	1	104.2840	0.000	1	108.3253	8.402	4	108.3253	8.402	4	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:2:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:H-1:	C(C[6a]C[6a]N[6a])(CC[6a]HO)(OH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]N[6a])(CC[6a]HO)(OH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	108.7580	0.000	1	108.7580	0.000	1	108.7580	0.000	1	109.5838	1.849	5	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:2:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	N[6a]-3:N[6a]-2:C-4:	C-4:H-1:	C(C[6a]N[6a]2)(CC3)(OH)(H)	C[6a](N[6a]C[6a]N[3])(N[6a]C[6a,6a])(CCHO)	O(CC[6a]CH)(H)	C(C[6a]N[6a]2)(CC3)(OH)(H)	C[6a](N[6a]C[6a]N[3])(N[6a]C[6a,6a])(CCHO){1|O<1>,2|C<3>,2|C<4>}	O(CC[6a]CH)(H)	109.8960	0.000	1	109.8960	0.000	1	109.1960	0.980	2	109.5838	1.849	5	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:2:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	N[6a]-3:N[6a]-2:C-4:	C-4:H-1:	C(C[6a]N[6a]2)(CCCH)(OH)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a,6a])(CCHO)	O(CC[6a]CH)(H)	C(C[6a]N[6a]2)(CCCH)(OH)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a,6a])(CCHO){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	O(CC[6a]CH)(H)	108.4960	0.000	1	108.4960	0.000	1	109.1960	0.980	2	109.5838	1.849	5	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:2:4:	4:1:	C[6a]-3:C[5]-4:O-2:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:H-1:	C(C[6a]C[6a]N[6a])(C[5]C[5]2Fe)(OH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HO)	O(CC[6a]C[5]H)(H)	C(C[6a]C[6a]N[6a])(C[5]C[5]2Fe)(OH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HO){1|C<3>,2|H<1>}	O(CC[6a]C[5]H)(H)	111.8250	0.000	1	111.8250	0.000	1	111.8250	0.000	1	109.5838	1.849	5	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:2:4:	4:1:	C[6a]-3:Si-4:O-2:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:H-1:	C(C[6a]C[6a]N[6a])(SiC3)(OH)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CSiHO)	O(CC[6a]SiH)(H)	C(C[6a]C[6a]N[6a])(SiC3)(OH)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CSiHO){1|C<3>,2|O<2>}	O(CC[6a]SiH)(H)	108.9440	0.000	1	108.9440	0.000	1	108.9440	0.000	1	109.5838	1.849	5	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:2:4:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:N-3:	C(C[6a]C[6a]N[6a])(CH3)(ON)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHO)	O(CC[6a]CH)(NCC)	C(C[6a]C[6a]N[6a])(CH3)(ON)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(NCC)	112.5130	0.000	1	112.5130	0.000	1	111.0785	4.116	2	111.0785	4.116	2	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:2:4:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:N-3:	C(C[6a]C[6a]N[6a])(CHHO)(ON)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHO)	O(CC[6a]CH)(NCC)	C(C[6a]C[6a]N[6a])(CHHO)(ON)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(NCC)	109.6440	0.000	1	109.6440	0.000	1	111.0785	4.116	2	111.0785	4.116	2	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:2:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:Si-4:	C(C[6a]C[6a]N[6a])(CCHH)(OSi)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHO)	O(CC[6a]CH)(SiC3)	C(C[6a]C[6a]N[6a])(CCHH)(OSi)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(SiC3)	108.8110	0.000	1	108.8110	0.000	1	108.8110	0.000	1	109.8595	2.199	2	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:2:4:	4:4:	C[6a]-3:C[5]-4:O-2:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:	C(C[6a]C[6a]N[6a])(C[5]C[5]2Fe)(OC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HO)	O(CC[6a]C[5]H)(CH3)	C(C[6a]C[6a]N[6a])(C[5]C[5]2Fe)(OC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HO){1|C<3>,2|H<1>}	O(CC[6a]C[5]H)(CH3)	110.9080	0.000	1	110.9080	0.000	1	110.9080	0.000	1	109.8595	2.199	2	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	3:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	N[6]-3:C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(ON[6])(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(N[6]C[6]2)(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HN)(ON[6])(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(N[6]C[6]2)(CC[6a]CH)	113.3500	0.000	1	113.3500	0.000	1	113.3500	0.000	1	112.0740	3.256	2	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	3:4:	C[6a]-3:C[5]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5a]-3:C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(ON[5a])(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	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[6a](C[6a]C[6a]H)2(CC[5]HO){1|C<3>,1|H<1>,1|N<3>}	O(N[5a]C[5a,6a]N[5a])(CC[6a]C[5]H)	110.7980	0.000	1	110.7980	0.000	1	110.7980	0.000	1	112.0740	3.256	2	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[5,6a]C[6a])(CCHH)(OH)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[5,6a]C[6a])(CCHH)(OH)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHO){1|O<2>,2|N<3>,3|C<3>}	O(CC[6a]CH)(H)	107.5760	0.000	1	107.5760	0.000	1	109.7957	6.826	3	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[5,6a]C[6a])(CC[6a]2H)(OH)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[5,6a]C[6a])(CC[6a]2H)(OH)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHO){2|O<2>,4|C<3>}	O(CC[6a]CH)(H)	109.1360	0.000	1	109.1360	0.000	1	109.7957	6.826	3	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[5,6a]C[6a])(CHHN)(OH)(H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[5,6a]C[6a])(CHHN)(OH)(H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CCHO){1|Cl<1>,1|C<4>,3|C<3>}	O(CC[6a]CH)(H)	112.6750	0.000	1	112.6750	0.000	1	109.7957	6.826	3	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a,6a]2)(CC[6a]HH)(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a,6a]2)(CC[6a]HH)(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHO){2|H<1>,5|C<3>}	O(CC[6a]CH)(H)	114.2420	0.000	1	114.2420	0.000	1	114.2420	0.000	1	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a,6a]C[6a])(CCCH)(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a,6a]C[6a])(CCCH)(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHO){2|H<1>,3|C<3>}	O(CC[6a]CH)(H)	115.1870	0.000	1	115.1870	0.000	1	111.5002	3.710	9	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a,6a]C[6a])(CCCH)(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a,6a]C[6a])(CCCH)(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(CCHO){2|H<1>,3|C<3>}	O(CC[6a]CH)(H)	110.0400	0.000	1	110.0400	0.000	1	111.5002	3.710	9	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a,6a]C[6a])(CCCH)(OH)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a,6a]C[6a])(CCCH)(OH)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CCHO){1|H<1>,1|N<2>,2|C<3>}	O(CC[6a]CH)(H)	109.8470	0.000	1	109.8470	0.000	1	111.5002	3.710	9	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a,6a]C[6a])(CCHH)(OH)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a,6a]C[6a])(CCHH)(OH)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CCHO){1|H<1>,3|C<3>}	O(CC[6a]CH)(H)	112.8540	0.000	1	112.8540	0.000	1	111.5002	3.710	9	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHO){2|H<1>,3|C<3>}	O(CC[6a]CH)(H)	111.0640	0.000	1	111.0640	0.000	1	111.5002	3.710	9	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a,6a]C[6a])(CH3)(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a,6a]C[6a])(CH3)(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(CCHO){2|H<1>,3|C<3>}	O(CC[6a]CH)(H)	110.2890	0.000	1	110.2890	0.000	1	111.5002	3.710	9	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a,6a]C[6a])(CH3)(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a,6a]C[6a])(CH3)(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(CCHO){1|H<1>,3|C<3>}	O(CC[6a]CH)(H)	109.3120	0.000	1	109.3120	0.000	1	111.5002	3.710	9	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a,6a]C[6a])(CH3)(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]H)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a,6a]C[6a])(CH3)(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]H)(CCHO){1|O<2>,3|C<3>}	O(CC[6a]CH)(H)	112.4545	1.061	2	112.4545	1.127	2	111.5002	3.710	9	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CB[5,5]BrH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CB[5,5]BrH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	112.9530	0.000	1	112.9530	0.000	1	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CB[5,5]HI)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CB[5,5]HI)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]CH)(H)	111.3470	0.000	1	111.3470	0.000	1	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CBrCH)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CBrCH)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	107.8430	0.672	3	107.8430	0.452	3	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CBrCH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CBrCH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	112.2765	0.936	4	112.2765	0.877	4	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC3)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC3)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	111.8550	0.000	1	111.8550	0.000	1	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC3)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC3)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	110.1610	0.727	2	110.1610	0.528	2	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC3)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC3)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	110.9154	1.623	9	110.9154	2.633	9	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CCHO){2|C<3>}	O(CC[6a]CH)(H)	110.5975	0.302	2	110.5975	0.091	2	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	109.6320	0.000	1	109.6320	0.000	1	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C[6a](C[6a]C[6a]C)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C[6a](C[6a]C[6a]C)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	112.5080	0.000	1	112.5080	0.000	1	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	108.4070	0.107	2	108.4070	0.012	2	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C[6a](C[6a]C[6a]Cl)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C[6a](C[6a]C[6a]Cl)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	112.1110	1.481	3	112.1110	2.192	3	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]CH)(H)	108.4750	0.000	1	108.4750	0.000	1	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHO){1|C<3>,1|N<3>,1|O<2>}	O(CC[6a]CH)(H)	111.9100	0.000	1	111.9100	0.000	1	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]CH)(H)	111.7700	0.000	1	111.3168	3.130	50	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]CH)(H)	113.6770	0.000	1	111.3168	3.130	50	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	111.2582	1.771	48	111.3168	3.130	50	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCCN)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCCN)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	108.5255	0.301	2	108.5255	0.090	2	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCCO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCCO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	111.6770	1.296	5	111.6770	1.679	5	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCCS)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCCS)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	112.0220	0.000	1	112.0220	0.000	1	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCFF)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCFF)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	111.1420	2.927	2	111.1420	8.570	2	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCHO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]CH)(H)	111.9830	0.000	1	111.9830	0.000	1	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CCHO){1|H<1>,2|C<3>}	O(CC[6a]CH)(H)	111.8577	0.380	3	111.8577	0.145	3	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CCHO){1|C<4>,2|C<3>}	O(CC[6a]CH)(H)	112.9860	0.518	2	112.9860	0.268	2	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHO){1|H<1>,2|C<3>}	O(CC[6a]CH)(H)	108.6710	0.000	1	108.6710	0.000	1	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]N)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]N)(CCHO){1|H<1>,2|C<3>}	O(CC[6a]CH)(H)	108.0970	0.000	1	108.0970	0.000	1	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	110.9108	2.238	4	110.9108	5.010	4	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	105.8660	0.000	1	105.8660	0.000	1	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]CH)(H)	111.5760	0.475	2	111.5760	0.226	2	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	112.0962	0.203	4	112.0962	0.041	4	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[6a]Cl)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[6a]Cl)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	109.8613	2.468	3	109.8613	6.091	3	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	111.1798	0.374	5	111.1798	0.140	5	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	110.6840	0.000	1	110.6840	0.000	1	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|Br<1>,1|C<3>,1|H<1>}	O(CC[6a]CH)(H)	109.5820	0.000	1	111.4219	3.846	41	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]CH)(H)	112.8653	0.874	4	111.4219	3.846	41	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,1|F<1>,1|H<1>}	O(CC[6a]CH)(H)	108.6385	1.850	2	111.4219	3.846	41	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]CH)(H)	107.4430	0.000	1	111.4219	3.846	41	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	111.6230	1.867	30	111.4219	3.846	41	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|O<2>}	O(CC[6a]CH)(H)	111.7880	0.000	1	111.4219	3.846	41	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]CH)(H)	109.9300	0.000	1	111.4219	3.846	41	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){2|Cl<1>,1|C<3>}	O(CC[6a]CH)(H)	112.1250	0.000	1	111.4219	3.846	41	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCHI)(OH)(H)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHI)(OH)(H)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CCHO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]CH)(H)	112.4020	0.000	1	112.4020	0.000	1	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHO){1|H<1>,2|C<3>}	O(CC[6a]CH)(H)	110.2230	0.000	1	110.2230	0.000	1	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	112.3782	1.099	4	112.3782	1.209	4	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	108.9440	0.000	1	108.9440	0.000	1	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCHO){1|C<3>,1|H<1>}	O(CC[6a]CH)(H)	110.5970	0.000	1	110.5970	0.000	1	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]CH)(H)	110.0940	0.000	1	112.2902	1.886	125	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	112.3079	1.364	124	112.2902	1.886	125	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHO){2|H<1>,3|C<3>}	O(CC[6a]CH)(H)	109.1240	0.000	1	109.1240	0.000	1	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHO){1|C<3>,2|O<2>}	O(CC[6a]CH)(H)	111.1375	0.128	2	111.1375	0.016	2	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]CH)(H)	109.0668	1.965	5	110.7815	3.538	26	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	111.5995	1.568	17	110.7815	3.538	26	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|O<2>}	O(CC[6a]CH)(H)	109.4488	0.400	4	110.7815	3.538	26	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCHP)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHP)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	112.0115	0.824	4	112.0115	0.678	4	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCHS)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHS)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	110.5187	2.021	10	110.5187	4.084	10	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[3]HH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[3]HH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	112.1825	0.172	2	112.1825	0.030	2	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[3x6]HH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[3x6]HH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]CH)(H)	111.4470	0.000	1	111.4470	0.000	1	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[5,5]HH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[5,5]HH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	112.5360	0.000	1	112.5360	0.000	1	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[5]CH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[5]CH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	108.9810	0.000	1	108.9810	0.000	1	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[5]HH)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[5]HH)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	110.1560	0.000	1	110.1560	0.000	1	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[5]HH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[5]HH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	110.6697	2.278	3	110.6697	5.189	3	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[5a]HH)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[5a]HH)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	107.8100	0.000	1	107.8100	0.000	1	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[5a]HH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[5a]HH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	111.2010	0.000	1	111.2010	0.000	1	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6]HH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6]HH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	110.1255	2.194	4	110.1255	4.812	4	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6]N[6]H)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6]N[6]H)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	110.5820	0.000	1	110.5820	0.000	1	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]2O)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]2O)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	109.2413	0.723	3	109.2413	0.523	3	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]BH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]BH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	106.9460	0.000	1	106.9460	0.000	1	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CC)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]CC)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	109.4807	3.135	3	109.4807	9.827	3	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]CH)(H)	108.6370	0.000	1	108.6370	0.000	1	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	C[6a](C[6a]C[6a]C)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	C[6a](C[6a]C[6a]C)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	112.0067	0.685	3	112.0067	0.469	3	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	C[6a](C[6a]C[6a]Cl)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	C[6a](C[6a]C[6a]Cl)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	111.8150	0.433	2	111.8150	0.187	2	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	C[6a](C[6a]C[6a]F)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	C[6a](C[6a]C[6a]F)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	111.9790	0.000	1	111.9790	0.000	1	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	110.2182	2.017	11	110.4212	4.192	12	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|O<2>}	O(CC[6a]CH)(H)	112.6540	0.000	1	110.4212	4.192	12	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CN)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]CN)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	108.9010	0.000	1	108.9010	0.000	1	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CO)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]CO)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	108.0320	0.000	1	108.0320	0.000	1	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]CO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	109.3927	1.773	3	109.3927	3.143	3	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HH)(OH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]HH)(OH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CCHO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]CH)(H)	111.4340	0.000	1	111.4340	0.000	1	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HH)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]HH)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]CH)(H)	112.3460	0.000	1	112.3460	0.000	1	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HH)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]HH)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHO){1|C<3>,1|H<1>,1|N<2>}	O(CC[6a]CH)(H)	111.6380	0.000	1	111.6380	0.000	1	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]HH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	111.5245	2.265	4	111.4102	3.407	6	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]HH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|O<2>}	O(CC[6a]CH)(H)	110.3200	0.000	1	111.4102	3.407	6	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]HH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|N<2>,2|H<1>}	O(CC[6a]CH)(H)	112.0430	0.000	1	111.4102	3.407	6	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCHO){1|Br<1>,1|H<1>,1|O<2>,2|C<3>}	O(CC[6a]CH)(H)	111.7230	0.000	1	111.5525	0.058	2	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCHO){1|O<2>,2|C<3>,2|H<1>}	O(CC[6a]CH)(H)	111.3820	0.000	1	111.5525	0.058	2	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	112.1070	1.794	62	112.1070	3.218	62	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HO)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHO){1|C<3>,2|O<2>}	O(CC[6a]CH)(H)	112.5830	0.000	1	112.5830	0.000	1	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	111.5992	1.299	8	111.5618	1.490	9	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|N<2>,2|H<1>}	O(CC[6a]CH)(H)	111.2620	0.000	1	111.5618	1.490	9	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HS)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]HS)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	110.6740	3.260	3	110.6740	10.627	3	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCl2C)(OH)(H)	C[6a](C[6a]C[6a]F)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCl2C)(OH)(H)	C[6a](C[6a]C[6a]F)2(CCHO){1|C<3>,2|F<1>}	O(CC[6a]CH)(H)	111.5515	2.194	4	111.5515	4.814	4	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCl2C)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCl2C)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	108.5652	1.263	5	108.5652	1.596	5	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CClHP)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CClHP)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	111.0457	0.320	3	111.0457	0.103	3	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CF3)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CF3)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	111.1720	0.000	1	111.1720	0.000	1	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CFFI)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CFFI)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	110.2650	0.000	1	110.2650	0.000	1	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CFFS)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CFFS)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	113.8840	0.000	1	113.8840	0.000	1	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CH3)(OH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CH3)(OH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CCHO){1|Si<4>,1|C<3>,1|H<1>}	O(CC[6a]CH)(H)	110.8600	2.886	2	110.8600	8.331	2	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CH3)(OH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CH3)(OH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCHO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]CH)(H)	111.3540	0.000	1	111.3540	0.000	1	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CH3)(OH)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CH3)(OH)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CCHO){1|C<4>,2|C<3>}	O(CC[6a]CH)(H)	112.1820	0.000	1	109.3950	15.535	2	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CH3)(OH)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CH3)(OH)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CCHO){1|H<1>,2|C<3>}	O(CC[6a]CH)(H)	106.6080	0.000	1	109.3950	15.535	2	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CH3)(OH)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CH3)(OH)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHO){2|H<1>,3|C<3>}	O(CC[6a]CH)(H)	110.4048	1.227	12	110.4048	1.505	12	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CH3)(OH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CH3)(OH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	110.9010	0.474	4	110.9010	0.224	4	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CH3)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CH3)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	108.4330	0.000	1	108.4330	0.000	1	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CH3)(OH)(H)	C[6a](C[6a]C[6a]C)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CH3)(OH)(H)	C[6a](C[6a]C[6a]C)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	113.3760	0.543	4	113.3760	0.295	4	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CH3)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CH3)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	109.8990	1.896	19	110.0862	3.587	21	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CH3)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CH3)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){2|Cl<1>,1|C<3>}	O(CC[6a]CH)(H)	111.8650	0.209	2	110.0862	3.587	21	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CHHI)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CHHI)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	113.0500	0.007	2	113.0500	0.000	2	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CHHN)(OH)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CHHN)(OH)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCHO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]CH)(H)	113.8230	0.000	1	113.8230	0.000	1	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CHHN)(OH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CHHN)(OH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	110.4436	2.076	7	110.4436	4.311	7	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CHHN)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CHHN)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]CH)(H)	111.0060	0.000	1	112.2797	3.164	39	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CHHN)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CHHN)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]CH)(H)	113.0330	0.000	1	112.2797	3.164	39	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CHHN)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CHHN)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	112.7041	1.463	27	112.2797	3.164	39	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CHHN)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CHHN)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|O<2>}	O(CC[6a]CH)(H)	110.4955	1.848	8	112.2797	3.164	39	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CHHN)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CHHN)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){2|Cl<1>,1|C<3>}	O(CC[6a]CH)(H)	113.9485	1.600	2	112.2797	3.164	39	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CHHO)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CHHO)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]CH)(H)	111.3520	0.000	1	111.3520	0.000	1	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CHHP)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CHHP)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	108.2470	0.000	1	108.2470	0.000	1	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CHHS)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CHHS)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	113.4520	0.000	1	113.4520	0.000	1	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CHOP)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CHOP)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	113.6820	0.000	1	113.6355	0.004	2	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CHOP)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CHOP)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|N<2>,2|H<1>}	O(CC[6a]CH)(H)	113.5890	0.000	1	113.6355	0.004	2	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CHSS)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CHSS)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	107.5535	0.320	2	107.5535	0.103	2	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CN[5]CH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CN[5]CH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	109.0000	1.160	2	109.0000	1.345	2	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CN[5]HH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CN[5]HH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	113.1500	0.000	1	113.1500	0.000	1	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CN[5a]2H)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CN[5a]2H)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	109.1950	0.000	2	109.1950	0.000	2	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CN[5a]CH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CN[5a]CH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	111.4950	0.255	2	111.4950	0.065	2	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CN[5a]HH)(OH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CN[5a]HH)(OH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	110.6300	0.433	2	110.6300	0.187	2	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CN[5a]HH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CN[5a]HH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	110.3483	0.559	3	110.3483	0.313	3	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CN[6]HH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CN[6]HH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	110.3810	0.000	1	110.3810	0.000	1	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CSeCH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CSeCH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	109.4580	0.000	1	109.4580	0.000	1	111.3979	3.503	602	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C[3]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(C[3]C[3]2C)(OH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(CC[3]HO)	O(CC[6a]C[3]H)(H)	C(C[6a]C[6a]2)(C[3]C[3]2C)(OH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(CC[3]HO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]C[3]H)(H)	111.0260	0.000	1	111.0260	0.000	1	110.2130	4.180	3	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C[3]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(C[3]C[3]2H)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[3]HO)	O(CC[6a]C[3]H)(H)	C(C[6a]C[6a]2)(C[3]C[3]2H)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[3]HO){1|C<3>,2|H<1>}	O(CC[6a]C[3]H)(H)	109.8065	2.715	2	109.8065	7.369	2	110.2130	4.180	3	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C[4]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(C[4]C[4]2C)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[4]HO)	O(CC[6a]C[4]H)(H)	C(C[6a]C[6a]2)(C[4]C[4]2C)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[4]HO){1|C<3>,2|H<1>}	O(CC[6a]C[4]H)(H)	111.5190	0.000	1	111.5190	0.000	1	110.1913	1.922	3	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C[4]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(C[4]C[4]2H)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[4]HO)	O(CC[6a]C[4]H)(H)	C(C[6a]C[6a]2)(C[4]C[4]2H)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[4]HO){1|C<3>,2|H<1>}	O(CC[6a]C[4]H)(H)	109.5275	1.095	2	109.5275	1.200	2	110.1913	1.922	3	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C[5]-4:O-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5]C)(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5]HO)	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[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5]HO){2|H<1>,3|C<3>}	O(CC[6a]C[5]H)(H)	106.5060	0.000	1	106.5060	0.000	1	109.5285	18.271	2	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C[5]-4:O-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5]HO)	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[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5]HO){1|H<1>,1|N<2>,3|C<3>}	O(CC[6a]C[5]H)(H)	112.5510	0.000	1	112.5510	0.000	1	109.5285	18.271	2	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C[5]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2C)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	O(CC[6a]C[5]H)(H)	C(C[6a]C[6a]2)(C[5]C[5]2C)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO){1|C<3>,2|H<1>}	O(CC[6a]C[5]H)(H)	109.2949	3.160	7	109.2949	9.985	7	109.7420	5.095	25	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C[5]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[5]HO)	O(CC[6a]C[5]H)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[5]HO){1|C<3>,2|H<1>}	O(CC[6a]C[5]H)(H)	109.1150	1.342	2	109.1150	1.801	2	109.7420	5.095	25	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C[5]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]HO)	O(CC[6a]C[5]H)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]HO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]C[5]H)(H)	111.9080	0.000	1	111.9080	0.000	1	109.7420	5.095	25	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C[5]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	O(CC[6a]C[5]H)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]C[5]H)(H)	108.1240	0.000	1	109.7882	4.000	13	109.7420	5.095	25	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C[5]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	O(CC[6a]C[5]H)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO){1|C<3>,2|H<1>}	O(CC[6a]C[5]H)(H)	109.9269	2.022	12	109.7882	4.000	13	109.7420	5.095	25	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C[5]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2O)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	O(CC[6a]C[5]H)(H)	C(C[6a]C[6a]2)(C[5]C[5]2O)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO){1|C<3>,2|H<1>}	O(CC[6a]C[5]H)(H)	110.5510	2.086	2	110.5510	4.351	2	109.7420	5.095	25	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C[6]-4:O-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6]HO)	O(CC[6a]C[6]H)(H)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6]HO){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	O(CC[6a]C[6]H)(H)	111.6125	1.437	13	111.6125	2.064	13	111.6125	2.064	13	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C[6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(C[6]C[6]2C)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	O(CC[6a]C[6]H)(H)	C(C[6a]C[6a]2)(C[6]C[6]2C)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	O(CC[6a]C[6]H)(H)	109.5890	0.000	1	109.5890	0.000	1	110.3970	5.033	27	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C[6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6]HO)	O(CC[6a]C[6]H)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6]HO){1|H<1>,2|C<3>}	O(CC[6a]C[6]H)(H)	110.2110	0.000	1	110.2110	0.000	1	110.3970	5.033	27	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C[6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]HO)	O(CC[6a]C[6]H)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]HO){1|C<3>,2|H<1>}	O(CC[6a]C[6]H)(H)	111.9930	0.000	1	111.9930	0.000	1	110.3970	5.033	27	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C[6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6]HO)	O(CC[6a]C[6]H)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6]HO){1|C<3>,2|H<1>}	O(CC[6a]C[6]H)(H)	106.3170	0.000	1	106.3170	0.000	1	110.3970	5.033	27	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C[6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	O(CC[6a]C[6]H)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	O(CC[6a]C[6]H)(H)	110.5482	2.241	23	110.5482	5.021	23	110.3970	5.033	27	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:P-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(PC3)(OH)(H)	C[6a](C[6a]C[6a]H)2(CHOP)	O(CC[6a]HP)(H)	C(C[6a]C[6a]2)(PC3)(OH)(H)	C[6a](C[6a]C[6a]H)2(CHOP){1|C<3>,2|H<1>}	O(CC[6a]HP)(H)	108.1260	0.000	1	108.1260	0.000	1	112.5596	3.075	27	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:P-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(PC[6a]2B)(OH)(H)	C[6a](C[6a]C[6a]H)2(CHOP)	O(CC[6a]HP)(H)	C(C[6a]C[6a]2)(PC[6a]2B)(OH)(H)	C[6a](C[6a]C[6a]H)2(CHOP){1|C<3>,2|H<1>}	O(CC[6a]HP)(H)	111.9885	2.282	2	111.9885	5.207	2	112.5596	3.075	27	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:P-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(PC[6a]2O)(OH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHOP)	O(CC[6a]HP)(H)	C(C[6a]C[6a]2)(PC[6a]2O)(OH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHOP){1|C<3>,2|H<1>}	O(CC[6a]HP)(H)	113.1090	0.079	2	113.1090	0.006	2	112.5596	3.075	27	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:P-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(PC[6a]2O)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHOP)	O(CC[6a]HP)(H)	C(C[6a]C[6a]2)(PC[6a]2O)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHOP){1|C<3>,2|H<1>}	O(CC[6a]HP)(H)	110.4680	0.000	1	110.4680	0.000	1	112.5596	3.075	27	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:P-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(PC[6a]2O)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHOP)	O(CC[6a]HP)(H)	C(C[6a]C[6a]2)(PC[6a]2O)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHOP){1|C<3>,2|H<1>}	O(CC[6a]HP)(H)	115.4250	0.000	1	115.4250	0.000	1	112.5596	3.075	27	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:P-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(PC[6a]2O)(OH)(H)	C[6a](C[6a]C[6a]H)2(CHOP)	O(CC[6a]HP)(H)	C(C[6a]C[6a]2)(PC[6a]2O)(OH)(H)	C[6a](C[6a]C[6a]H)2(CHOP){1|C<3>,2|H<1>}	O(CC[6a]HP)(H)	113.5945	0.209	2	113.5945	0.044	2	112.5596	3.075	27	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:P-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(PC[6a]CO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CHOP)	O(CC[6a]HP)(H)	C(C[6a]C[6a]2)(PC[6a]CO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CHOP){1|C<3>,2|H<1>}	O(CC[6a]HP)(H)	113.1195	0.876	2	113.1195	0.768	2	112.5596	3.075	27	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:P-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(PHOO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CHOP)	O(CC[6a]HP)(H)	C(C[6a]C[6a]2)(PHOO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CHOP){1|C<3>,1|H<1>,1|N<3>}	O(CC[6a]HP)(H)	110.0330	0.000	1	110.0330	0.000	1	112.5596	3.075	27	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:P-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(PO3)(OH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHOP)	O(CC[6a]HP)(H)	C(C[6a]C[6a]2)(PO3)(OH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHOP){1|C<3>,2|H<1>}	O(CC[6a]HP)(H)	112.3220	0.000	1	112.3220	0.000	1	112.5596	3.075	27	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:P-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(PO3)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHOP)	O(CC[6a]HP)(H)	C(C[6a]C[6a]2)(PO3)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHOP){1|C<3>,2|H<1>}	O(CC[6a]HP)(H)	110.3120	0.203	3	110.3120	0.041	3	112.5596	3.075	27	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:P-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(PO3)(OH)(H)	C[6a](C[6a]C[6a]H)2(CHOP)	O(CC[6a]HP)(H)	C(C[6a]C[6a]2)(PO3)(OH)(H)	C[6a](C[6a]C[6a]H)2(CHOP){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]HP)(H)	111.6440	0.000	1	113.4705	0.685	11	112.5596	3.075	27	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:P-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(PO3)(OH)(H)	C[6a](C[6a]C[6a]H)2(CHOP)	O(CC[6a]HP)(H)	C(C[6a]C[6a]2)(PO3)(OH)(H)	C[6a](C[6a]C[6a]H)2(CHOP){1|C<3>,2|H<1>}	O(CC[6a]HP)(H)	113.7180	0.653	8	113.4705	0.685	11	112.5596	3.075	27	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:P-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(PO3)(OH)(H)	C[6a](C[6a]C[6a]H)2(CHOP)	O(CC[6a]HP)(H)	C(C[6a]C[6a]2)(PO3)(OH)(H)	C[6a](C[6a]C[6a]H)2(CHOP){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]HP)(H)	113.3935	0.161	2	113.4705	0.685	11	112.5596	3.075	27	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:P[6]-4:O-2:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a,6a]2)(P[6]O[6]2O)(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CP[6]HO)	O(CC[6a]P[6]H)(H)	C(C[6a]C[6a,6a]2)(P[6]O[6]2O)(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CP[6]HO){2|H<1>,5|C<3>}	O(CC[6a]P[6]H)(H)	115.8880	0.000	1	115.8880	0.000	1	115.8880	0.000	1	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:P[6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(P[6]O[6]2O)(OH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CP[6]HO)	O(CC[6a]P[6]H)(H)	C(C[6a]C[6a]2)(P[6]O[6]2O)(OH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CP[6]HO){1|C<3>,2|H<1>}	O(CC[6a]P[6]H)(H)	110.0760	0.000	1	110.0760	0.000	1	112.1270	3.157	3	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:P[6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(P[6]O[6]2O)(OH)(H)	C[6a](C[6a]C[6a]H)2(CP[6]HO)	O(CC[6a]P[6]H)(H)	C(C[6a]C[6a]2)(P[6]O[6]2O)(OH)(H)	C[6a](C[6a]C[6a]H)2(CP[6]HO){1|C<3>,2|H<1>}	O(CC[6a]P[6]H)(H)	113.1525	0.062	2	113.1525	0.004	2	112.1270	3.157	3	111.3429	3.798	719	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:2:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:	C(C[6a]C[6a]2)(CCHH)(OO)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(OC)	C(C[6a]C[6a]2)(CCHH)(OO)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(OC)	112.2200	0.740	2	112.2200	0.547	2	110.0060	14.979	3	110.0060	14.979	3	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:2:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:	C(C[6a]C[6a]2)(CHHS)(OO)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(OH)	C(C[6a]C[6a]2)(CHHS)(OO)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(OH)	105.5780	0.000	1	105.5780	0.000	1	110.0060	14.979	3	110.0060	14.979	3	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-3:	C(C[6a]C[6a]2)(CCHH)(ON)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(NCH)	C(C[6a]C[6a]2)(CCHH)(ON)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(NCH)	110.6450	0.000	1	110.6450	0.000	1	107.9227	18.716	16	107.9227	18.716	16	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-3:	C(C[6a]C[6a]2)(CCHH)(ON)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(NC[6a]C)	C(C[6a]C[6a]2)(CCHH)(ON)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(NC[6a]C)	106.5840	0.000	1	106.5840	0.000	1	107.9227	18.716	16	107.9227	18.716	16	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-3:	C(C[6a]C[6a]2)(CH3)(ON)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(NCC)	C(C[6a]C[6a]2)(CH3)(ON)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(NCC)	105.8408	3.692	6	106.8131	17.978	7	107.9227	18.716	16	107.9227	18.716	16	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-3:	C(C[6a]C[6a]2)(CH3)(ON)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(NCC)	C(C[6a]C[6a]2)(CH3)(ON)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|N<2>,2|H<1>}	O(CC[6a]CH)(NCC)	112.6470	0.000	1	106.8131	17.978	7	107.9227	18.716	16	107.9227	18.716	16	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-3:	C(C[6a]C[6a]2)(CHHN)(ON)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(NCC)	C(C[6a]C[6a]2)(CHHN)(ON)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|N<2>,2|H<1>}	O(CC[6a]CH)(NCC)	107.1625	5.669	2	107.1625	32.136	2	107.9227	18.716	16	107.9227	18.716	16	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-3:	C(C[6a]C[6a]2)(CHHO)(ON)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(NCC)	C(C[6a]C[6a]2)(CHHO)(ON)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(NCC)	108.1450	4.911	4	108.1450	24.119	4	107.9227	18.716	16	107.9227	18.716	16	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-3:	C(C[6a]C[6a]2)(CHHO)(ON)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(NC[3x6]2)	C(C[6a]C[6a]2)(CHHO)(ON)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(NC[3x6]2)	114.9370	0.000	1	114.9370	0.000	1	107.9227	18.716	16	107.9227	18.716	16	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[5,6a]C[6a])(CC3)(OC)(H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(CHHO)	C(C[6a]C[5,6a]C[6a])(CC3)(OC)(H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CCHO){1|B<4>,1|H<1>,4|C<3>}	O(CC[6a]CH)(CHHO)	107.4380	0.000	1	107.4380	0.000	1	107.4380	0.000	1	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	Si-4:C-4:	C(C[6a]C[6a,6a]C[6a])(CH3)(OSi)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCHO)	O(SiC[6a]CC)(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CH3)(OSi)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCHO){2|H<1>,3|C<3>}	O(SiC[6a]CC)(CC[6a]CH)	110.1230	0.000	1	110.1230	0.000	1	110.1230	0.000	1	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CBrCC)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CCCH)	C(C[6a]C[6a]2)(CBrCC)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CCCH)	108.2640	0.421	2	108.2640	0.178	2	111.4232	3.746	118	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CBrCH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CCHH)	C(C[6a]C[6a]2)(CBrCH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CCHH)	111.8005	0.213	2	111.8005	0.045	2	111.4232	3.746	118	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CBrCH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CH3)	C(C[6a]C[6a]2)(CBrCH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|Br<1>,1|C<3>,1|C<4>}	O(CC[6a]CH)(CH3)	112.8740	0.000	1	112.4280	0.398	2	111.4232	3.746	118	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CBrCH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CH3)	C(C[6a]C[6a]2)(CBrCH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CH3)	111.9820	0.000	1	112.4280	0.398	2	111.4232	3.746	118	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CC3)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CH3)	C(C[6a]C[6a]2)(CC3)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CH3)	111.1960	0.000	1	111.1960	0.000	1	111.4232	3.746	118	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[5a]CH)(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[5a]CH)(CC[6a]CH)	107.3100	0.000	1	107.3100	0.000	1	111.4232	3.746	118	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[5a]HH)(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[5a]HH)(CC[6a]CH)	107.9990	0.000	1	107.9990	0.000	1	111.4232	3.746	118	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CC[6a]HH)	110.2040	0.000	1	110.2040	0.000	1	111.4232	3.746	118	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CH3)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CH3)	111.3197	1.021	6	111.3197	1.042	6	111.4232	3.746	118	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CCHH)(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(CH3)	C(C[6a]C[6a]2)(CCHH)(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CH3)	110.0635	0.769	2	110.0635	0.591	2	111.4232	3.746	118	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CCHH)(OC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(CHHO)	C(C[6a]C[6a]2)(CCHH)(OC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]CH)(CHHO)	108.3110	0.000	1	108.3110	0.000	1	111.4232	3.746	118	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CCHH)(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHO)	O(CC[6a]CH)(CCHH)	C(C[6a]C[6a]2)(CCHH)(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CCHH)	111.2105	0.206	2	111.2105	0.042	2	111.4232	3.746	118	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CCHH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CH3)	C(C[6a]C[6a]2)(CCHH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CH3)	112.0510	0.000	1	112.0510	0.000	1	111.4232	3.746	118	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CCHN)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(CCHN)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CC[6a]HH)	110.1127	0.483	6	110.1127	0.233	6	111.4232	3.746	118	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CCHN)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CH3)	C(C[6a]C[6a]2)(CCHN)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CH3)	111.8300	0.696	4	111.8300	0.485	4	111.4232	3.746	118	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CCHO)(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(CH3)	C(C[6a]C[6a]2)(CCHO)(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CH3)	112.0470	0.112	2	112.0470	0.012	2	111.4232	3.746	118	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CCHO)(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHO)	O(CC[6a]CH)2	C(C[6a]C[6a]2)(CCHO)(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]CH)2	110.1135	0.261	2	110.1135	0.068	2	111.4232	3.746	118	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CCHO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CCCH)	C(C[6a]C[6a]2)(CCHO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]CH)(CCCH)	113.3320	0.000	1	113.3320	0.000	1	111.4232	3.746	118	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CCHO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(CCHO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CC[6a]HH)	106.6865	0.238	2	106.6865	0.057	2	111.4232	3.746	118	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CC[5]HH)(OC)(H)	C[6a](C[6a]C[6a]Cl)2(CCHO)	O(CC[6a]2H)(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]HH)(OC)(H)	C[6a](C[6a]C[6a]Cl)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]2H)(CC[6a]CH)	111.0410	0.000	1	111.0410	0.000	1	111.4232	3.746	118	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CC[5]HH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]2H)(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]HH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]2H)(CC[6a]CH)	109.9910	0.000	1	109.9910	0.000	1	111.4232	3.746	118	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CC[6]2O)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CH3)	C(C[6a]C[6a]2)(CC[6]2O)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CH3)	112.2630	0.000	1	112.2630	0.000	1	111.4232	3.746	118	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CC[6]HI)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CH3)	C(C[6a]C[6a]2)(CC[6]HI)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CH3)	114.6460	0.000	1	114.6460	0.000	1	111.4232	3.746	118	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CC[6]HO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CH3)	C(C[6a]C[6a]2)(CC[6]HO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CH3)	112.3550	0.000	1	112.3550	0.000	1	111.4232	3.746	118	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CC[6]HO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CHHO)	C(C[6a]C[6a]2)(CC[6]HO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CHHO)	110.3580	0.000	1	110.3580	0.000	1	111.4232	3.746	118	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CH3)	C(C[6a]C[6a]2)(CC[6a]CH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CH3)	111.9450	0.766	3	111.9450	0.586	3	111.4232	3.746	118	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CC[6a]CO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CCCH)	C(C[6a]C[6a]2)(CC[6a]CO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CCCH)	113.7050	0.000	1	113.7050	0.000	1	111.4232	3.746	118	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CC[6a]CO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CCHH)	C(C[6a]C[6a]2)(CC[6a]CO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CCHH)	112.6700	0.000	1	112.6700	0.000	1	111.4232	3.746	118	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CC[6a]CO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CH3)	C(C[6a]C[6a]2)(CC[6a]CO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CH3)	111.2430	1.580	4	111.2430	2.496	4	111.4232	3.746	118	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)2	C(C[6a]C[6a]2)(CC[6a]HH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|O<2>}	O(CC[6a]CH)2	113.7280	0.624	2	113.7280	0.389	2	111.4232	3.746	118	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCHO)	O(CC[6a]CH)(CH3)	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCHO){1|C<3>,1|F<1>,1|H<1>}	O(CC[6a]CH)(CH3)	110.3813	2.556	6	110.3813	6.533	6	111.4232	3.746	118	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CCCH)	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CCCH)	106.7260	0.000	1	106.7260	0.000	1	111.4232	3.746	118	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CCHH)	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CCHH)	109.8976	2.396	7	110.2599	5.971	8	111.4232	3.746	118	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CCHH)	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){2|Br<1>,1|N<2>}	O(CC[6a]CH)(CCHH)	112.7960	0.000	1	110.2599	5.971	8	111.4232	3.746	118	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CC[3]HH)	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CC[3]HH)	109.2620	0.000	1	109.2620	0.000	1	111.4232	3.746	118	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CH3)	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CH3)	112.8040	0.553	2	112.8040	0.306	2	111.4232	3.746	118	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(CH3)	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CH3)	112.2200	0.110	2	112.2200	0.012	2	111.4232	3.746	118	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CF3)(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHO)	O(CC[6a]CH)(CCHH)	C(C[6a]C[6a]2)(CF3)(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CCHH)	112.1410	0.040	2	112.1410	0.002	2	111.4232	3.746	118	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CF3)(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHO)	O(CC[6a]CH)(CC[3]HH)	C(C[6a]C[6a]2)(CF3)(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CC[3]HH)	110.8750	0.000	1	110.8750	0.000	1	111.4232	3.746	118	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CH3)(OC)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(CH3)(OC)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCHO){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	O(CC[6a]CH)(CC[6a]HH)	111.6410	0.000	1	111.6410	0.000	1	111.4232	3.746	118	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CH3)(OC)(H)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(CCHO)	O(CC[6a]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(CH3)(OC)(H)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(CCHO){1|H<1>,6|C<3>}	O(CC[6a]CH)(CC[6a]HH)	113.9150	0.000	1	113.9150	0.000	1	111.4232	3.746	118	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CH3)(OC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(CH3)(OC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CC[6a]HH)	111.5890	0.000	1	111.5890	0.000	1	111.4232	3.746	118	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CH3)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]2H)(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]2H)(CC[6a]CH)	111.5050	0.000	1	111.5050	0.000	1	111.4232	3.746	118	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CH3)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)2	C(C[6a]C[6a]2)(CH3)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)2	111.3470	0.000	1	111.3470	0.000	1	111.4232	3.746	118	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CHHN)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]2C)(CC[6a]CH)	C(C[6a]C[6a]2)(CHHN)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]2C)(CC[6a]CH)	112.1760	0.000	1	112.1760	0.000	1	111.4232	3.746	118	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CHHN)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CCHH)	C(C[6a]C[6a]2)(CHHN)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CCHH)	114.3830	0.000	1	114.3830	0.000	1	111.4232	3.746	118	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CHHN)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(CHHN)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CC[6a]HH)	106.7880	0.000	1	106.7880	0.000	1	111.4232	3.746	118	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CHHN)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)2	C(C[6a]C[6a]2)(CHHN)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)2	113.4690	0.000	1	113.4690	0.000	1	111.4232	3.746	118	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CHHS)(OC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(CH3)	C(C[6a]C[6a]2)(CHHS)(OC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHO){2|O<2>,3|C<3>}	O(CC[6a]CH)(CH3)	111.5440	0.000	1	111.5440	0.000	1	111.4232	3.746	118	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CN[5]CH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CH3)	C(C[6a]C[6a]2)(CN[5]CH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CH3)	112.3420	0.000	1	112.3420	0.000	1	111.4232	3.746	118	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CN[5]HH)(OC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHO)	O(CC[5a]HH)(CC[6a]CH)	C(C[6a]C[6a]2)(CN[5]HH)(OC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	O(CC[5a]HH)(CC[6a]CH)	109.9760	0.000	1	109.9760	0.000	1	111.4232	3.746	118	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CN[5]HH)(OC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(CN[5]HH)(OC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CC[6a]HH)	112.1450	1.169	4	112.1450	1.367	4	111.4232	3.746	118	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CN[5a]HH)(OC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHO)	O(CC[5a]HH)(CC[6a]CH)	C(C[6a]C[6a]2)(CN[5a]HH)(OC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	O(CC[5a]HH)(CC[6a]CH)	112.9610	0.000	1	112.9610	0.000	1	111.4232	3.746	118	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CN[5a]HH)(OC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(CCHH)	C(C[6a]C[6a]2)(CN[5a]HH)(OC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CCHH)	117.4990	0.000	1	117.4990	0.000	1	111.4232	3.746	118	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CN[5a]HH)(OC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(CN[5a]HH)(OC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CC[6a]HH)	112.3443	0.304	8	112.3443	0.093	8	111.4232	3.746	118	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CN[5a]HH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(CN[5a]HH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CC[6a]HH)	112.8518	0.781	13	112.8518	0.610	13	111.4232	3.746	118	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:Ge-4:	C(C[6a]C[6a]2)(CHHN)(OGe)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(GeO3)	C(C[6a]C[6a]2)(CHHN)(OGe)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(GeO3)	110.7360	0.000	1	110.7360	0.000	1	110.7360	0.000	1	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:P-4:	C(C[6a]C[6a]2)(CCCO)(OP)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(PO3)	C(C[6a]C[6a]2)(CCCO)(OP)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(PO3)	109.2140	0.000	1	109.2140	0.000	1	107.9836	1.031	7	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:P-4:	C(C[6a]C[6a]2)(CCHH)(OP)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(PO3)	C(C[6a]C[6a]2)(CCHH)(OP)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(PO3)	107.8090	1.048	5	107.8090	1.098	5	107.9836	1.031	7	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:P-4:	C(C[6a]C[6a]2)(CH3)(OP)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(PC[6a]SS)	C(C[6a]C[6a]2)(CH3)(OP)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHO){1|H<1>,2|C<3>}	O(CC[6a]CH)(PC[6a]SS)	107.6260	0.000	1	107.6260	0.000	1	107.9836	1.031	7	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:	C(C[6a]C[6a]2)(CCl3)(OS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHO)	O(CC[6a]CH)(SC[6a]OO)	C(C[6a]C[6a]2)(CCl3)(OS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]CH)(SC[6a]OO)	111.1550	0.000	1	111.1550	0.000	1	111.1550	0.000	1	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:Si-4:	C(C[6a]C[6a]2)(CC3)(OSi)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(SiC3)	C(C[6a]C[6a]2)(CC3)(OSi)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(SiC3)	107.1203	0.184	3	107.1203	0.034	3	109.4503	4.697	14	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:Si-4:	C(C[6a]C[6a]2)(CCCH)(OSi)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(CCHO)	O(CC[6a]CH)(SiC3)	C(C[6a]C[6a]2)(CCCH)(OSi)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(CCHO){2|O<2>,3|C<3>}	O(CC[6a]CH)(SiC3)	107.8670	0.000	1	107.8670	0.000	1	109.4503	4.697	14	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:Si-4:	C(C[6a]C[6a]2)(CCCH)(OSi)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(SiC3)	C(C[6a]C[6a]2)(CCCH)(OSi)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(SiC3)	110.8020	0.000	1	110.8020	0.000	1	109.4503	4.697	14	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:Si-4:	C(C[6a]C[6a]2)(CCCH)(OSi)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(SiC3)	C(C[6a]C[6a]2)(CCCH)(OSi)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(SiC3)	111.4620	0.000	1	111.4620	0.000	1	109.4503	4.697	14	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:Si-4:	C(C[6a]C[6a]2)(CCCH)(OSi)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(SiCCO)	C(C[6a]C[6a]2)(CCCH)(OSi)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(SiCCO)	108.2030	0.358	3	108.2030	0.128	3	109.4503	4.697	14	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:Si-4:	C(C[6a]C[6a]2)(CCFH)(OSi)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(SiSi3)	C(C[6a]C[6a]2)(CCFH)(OSi)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(SiSi3)	112.1750	0.000	1	112.1750	0.000	1	109.4503	4.697	14	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:Si-4:	C(C[6a]C[6a]2)(CCHN)(OSi)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(SiC3)	C(C[6a]C[6a]2)(CCHN)(OSi)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(SiC3)	111.9303	1.425	3	111.9303	2.030	3	109.4503	4.697	14	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:Si-4:	C(C[6a]C[6a]2)(CCHO)(OSi)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO)	O(CC[6a]CH)(SiC3)	C(C[6a]C[6a]2)(CCHO)(OSi)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]CH)(SiC3)	108.2370	0.000	1	108.2370	0.000	1	109.4503	4.697	14	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:	C(C[6a]C[6a]2)(CC[6]HH)(OC[6])(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(C[6]C[6,6a]O[6]H)(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]HH)(OC[6])(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(C[6]C[6,6a]O[6]H)(CC[6a]CH)	111.1855	0.257	2	111.1855	0.066	2	110.3083	2.341	3	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(OC[6])(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(C[6]C[6]O[6]C)(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HO)(OC[6])(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(C[6]C[6]O[6]C)(CC[6a]CH)	108.5540	0.000	1	108.5540	0.000	1	110.3083	2.341	3	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	P-4:C-4:	C(C[6a]C[6a]2)(CCHN)(OP)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(PC[6a]2Ru)(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(OP)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(PC[6a]2Ru)(CC[6a]CH)	105.4660	0.000	1	105.4660	0.000	1	106.3557	0.662	3	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	P-4:C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(OP)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(PC[6a]2Ru)(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HO)(OP)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(PC[6a]2Ru)(CC[6a]CH)	106.8005	0.370	2	106.8005	0.137	2	106.3557	0.662	3	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	Si-4:C-4:	C(C[6a]C[6a]2)(CC[6a]CO)(OSi)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(SiC[6a]CC)(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]CO)(OSi)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(SiC[6a]CC)(CC[6a]CH)	111.8800	0.000	1	111.8800	0.000	1	111.8800	0.000	1	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C[3]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(C[3]C[3]2H)(OC)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]2)(CC[3]HO)	O(CC[6a]C[3]H)2	C(C[6a]C[6a]2)(C[3]C[3]2H)(OC)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]2)(CC[3]HO){1|H<1>,1|O<2>,3|C<3>}	O(CC[6a]C[3]H)2	112.2160	0.000	1	112.2160	0.000	1	112.2160	0.000	1	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C[6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	O(CC[6a]C[6]H)(CCCH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	O(CC[6a]C[6]H)(CCCH)	111.8490	0.593	2	111.8490	0.351	2	111.8994	0.610	5	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C[6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	O(CC[6a]C[6]H)(CCHH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	O(CC[6a]C[6]H)(CCHH)	111.5230	0.000	1	111.5230	0.000	1	111.8994	0.610	5	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C[6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	O(CC[6a]C[6]H)(CH3)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	O(CC[6a]C[6]H)(CH3)	112.1380	1.352	2	112.1380	1.828	2	111.8994	0.610	5	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C[6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:Si-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(OSi)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	O(CC[6a]C[6]H)(SiCCN)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OSi)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	O(CC[6a]C[6]H)(SiCCN)	109.2270	0.000	1	109.2270	0.000	1	108.9330	0.173	2	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C[6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:Si-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(OSi)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	O(CC[6a]C[6]H)(SiSi3)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OSi)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	O(CC[6a]C[6]H)(SiSi3)	108.6390	0.000	1	108.6390	0.000	1	108.9330	0.173	2	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:P-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:B-4:	C(C[6a]C[6a]2)(PC[6a]2C)(OB)(H)	C[6a](C[6a]C[6a]H)2(CHOP)	O(CC[6a]HP)(BC[6a]3)	C(C[6a]C[6a]2)(PC[6a]2C)(OB)(H)	C[6a](C[6a]C[6a]H)2(CHOP){1|C<3>,2|H<1>}	O(CC[6a]HP)(BC[6a]3)	114.0400	0.000	1	114.0400	0.000	1	114.0400	0.000	1	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:P-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(PCCH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CHOP)	O(CC[6a]HH)(CC[6a]HP)	C(C[6a]C[6a]2)(PCCH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CHOP){1|C<3>,2|H<1>}	O(CC[6a]HH)(CC[6a]HP)	114.1300	0.000	1	114.1300	0.000	1	114.1300	0.000	1	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:P-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:P-4:	C(C[6a]C[6a]2)(PCCS)(OP)(H)	C[6a](C[6a]C[6a]H)2(CHOP)	O(CC[6a]HP)(PCCS)	C(C[6a]C[6a]2)(PCCS)(OP)(H)	C[6a](C[6a]C[6a]H)2(CHOP){1|C<3>,2|H<1>}	O(CC[6a]HP)(PCCS)	112.2600	0.000	1	112.2600	0.000	1	112.2600	0.000	1	110.9780	4.673	161	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:2:	3:2:4:	4:1:	C[6a]-3:C-4:C-2:O-2:	C[6a]-3:N[6a]-2:C-4:	C-4:H-1:	C(C[6a]C[6a]N[6a])(CCHH)(CC)(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]N[6a])(CCHH)(CC)(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	109.3390	0.000	1	109.3390	0.000	1	108.2355	2.435	2	109.3185	4.889	4	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:2:	3:2:4:	4:1:	C[6a]-3:C-4:C-2:O-2:	C[6a]-3:N[6a]-2:C-4:	C-4:H-1:	C(C[6a]C[6a]N[6a])(CH3)(CC)(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]N[6a])(CH3)(CC)(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	107.1320	0.000	1	107.1320	0.000	1	108.2355	2.435	2	109.3185	4.889	4	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:2:	3:2:4:	4:1:	C[6a]-3:C-4:O-2:O-2:	C[6a]-3:N[6a]-2:C-4:	C-4:H-1:	C(C[6a]C[6a]N[6a])(CF3)(OH)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCOO)	O(CC[6a]CO)(H)	C(C[6a]C[6a]N[6a])(CF3)(OH)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCOO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]CO)(H)	110.4015	2.746	2	110.4015	7.539	2	110.4015	7.539	2	109.3185	4.889	4	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:2:	3:3:4:	2:4:	C[6a]-3:C-4:O-2:O-2:	C[6a]-3:C[6a]-3:C-4:	O-2:C-4:	C(C[6a]C[6a]2)(CH3)(OH)(OO)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCOO)	O(OC[5,5,6])(CC[6a]CO)	C(C[6a]C[6a]2)(CH3)(OH)(OO)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCOO){1|C<4>,2|C<3>,2|H<1>}	O(OC[5,5,6])(CC[6a]CO)	113.6510	0.000	1	113.6510	0.000	1	113.6510	0.000	1	113.6510	0.000	1	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-2:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCHN)(CC)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCHN)(CC)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	109.2360	0.000	1	109.2360	0.000	1	109.0034	2.558	10	108.8681	2.503	11	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-2:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HH)(CC)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]HH)(CC)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	109.2597	1.305	3	109.2597	1.703	3	109.0034	2.558	10	108.8681	2.503	11	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-2:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HO)(CC)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CC)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	107.6060	0.000	1	107.6060	0.000	1	109.0034	2.558	10	108.8681	2.503	11	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-2:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CF3)(CC)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CF3)(CC)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCCO){1|H<1>,2|C<3>}	O(CC[6a]CC)(H)	110.7640	2.102	2	110.7640	4.416	2	109.0034	2.558	10	108.8681	2.503	11	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-2:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CF3)(CC)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CF3)(CC)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]CC)(H)	109.3330	0.000	1	109.3330	0.000	1	109.0034	2.558	10	108.8681	2.503	11	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-2:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CH3)(CC)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CH3)(CC)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	107.2760	0.847	2	107.2760	0.718	2	109.0034	2.558	10	108.8681	2.503	11	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:2:	3:3:4:	4:1:	C[6a]-3:C-4:O-2:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CH3)(OH)(OO)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCOO)	O(CC[6a]CO)(H)	C(C[6a]C[6a]2)(CH3)(OH)(OO)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCOO){1|C<4>,2|C<3>,2|H<1>}	O(CC[6a]CO)(H)	107.5150	0.000	1	107.5150	0.000	1	107.5150	0.000	1	108.8681	2.503	11	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:2:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:C-2:	C[6a]-3:C[6a]-3:C-4:	Si[5]-4:C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(OSi[5])(CC)	C[6a](C[6a]C[6a]H)2(CCCO)	O(Si[5]C[5,6a]C[5]C)(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HH)(OSi[5])(CC)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(Si[5]C[5,6a]C[5]C)(CC[6a]CC)	111.4400	0.055	2	111.4400	0.003	2	111.4400	0.003	2	110.2581	4.274	9	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:2:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CBrHH)(OC)2	C[6a](C[6a]C[6a]H)2(CCOO)	O(CC[6a]CO)(CH3)	C(C[6a]C[6a]2)(CBrHH)(OC)2	C[6a](C[6a]C[6a]H)2(CCOO){1|C<3>,2|H<1>}	O(CC[6a]CO)(CH3)	108.9280	3.391	2	108.9280	11.501	2	110.5873	14.011	3	110.2581	4.274	9	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:2:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(OC)2	C[6a](C[6a]C[6a]H)2(CCOO)	O(CC[6a]CO)(CH3)	C(C[6a]C[6a]2)(CC[6a]HN)(OC)2	C[6a](C[6a]C[6a]H)2(CCOO){1|C<3>,2|H<1>}	O(CC[6a]CO)(CH3)	113.9060	0.000	1	113.9060	0.000	1	110.5873	14.011	3	110.2581	4.274	9	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:2:2:	3:3:4:	4:4:	C[6a]-3:C-4:O-2:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:Si-4:	C(C[6a]C[6a]2)(CCCH)(OSi)2	C[6a](C[6a]C[6a]H)2(CCOO)	O(CC[6a]CO)(SiC3)	C(C[6a]C[6a]2)(CCCH)(OSi)2	C[6a](C[6a]C[6a]H)2(CCOO){1|C<3>,2|H<1>}	O(CC[6a]CO)(SiC3)	109.4203	0.285	4	109.4203	0.081	4	109.4203	0.081	4	110.2581	4.274	9	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:3:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-3:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a,6a]C[6a])(CF3)(CNO)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a,6a]C[6a])(CF3)(CNO)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCCO){2|H<1>,3|C<3>}	O(CC[6a]CC)(H)	110.8190	0.000	1	110.8190	0.000	1	110.8190	0.000	1	109.5769	3.388	43	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:3:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(CCH)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCHH)(CCH)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	111.3390	0.000	1	111.3390	0.000	1	109.5382	3.465	39	109.5769	3.388	43	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:3:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(CCO)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCHH)(CCO)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	111.9530	0.000	1	111.9530	0.000	1	109.5382	3.465	39	109.5769	3.388	43	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:3:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(CHO)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCHH)(CHO)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	109.1330	0.000	1	109.1330	0.000	1	109.5382	3.465	39	109.5769	3.388	43	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:3:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(COO)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCHH)(COO)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	107.2920	0.000	1	107.2920	0.000	1	109.5382	3.465	39	109.5769	3.388	43	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:3:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(COO)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCHH)(COO)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	110.1750	1.689	3	110.1750	2.853	3	109.5382	3.465	39	109.5769	3.388	43	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:3:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCHO)(CNO)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCHO)(CNO)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]CC)(H)	108.4320	0.000	1	108.4320	0.000	1	109.5382	3.465	39	109.5769	3.388	43	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:3:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCHO)(COO)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCHO)(COO)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]CC)(H)	111.1095	0.323	2	111.2813	0.141	3	109.5382	3.465	39	109.5769	3.388	43	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:3:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCHO)(COO)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCHO)(COO)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	111.6250	0.000	1	111.2813	0.141	3	109.5382	3.465	39	109.5769	3.388	43	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:3:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[5a]HH)(COO)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[5a]HH)(COO)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]CC)(H)	111.7150	0.000	1	111.7150	0.000	1	109.5382	3.465	39	109.5769	3.388	43	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:3:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6]HH)(COO)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6]HH)(COO)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	108.6710	2.957	4	108.6710	8.741	4	109.5382	3.465	39	109.5769	3.388	43	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:3:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6]HN)(COO)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6]HN)(COO)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	111.7950	0.000	1	111.7950	0.000	1	109.5382	3.465	39	109.5769	3.388	43	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:3:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCCO){1|H<1>,2|C<3>}	O(CC[6a]CC)(H)	110.8700	0.000	1	110.8700	0.000	1	109.5382	3.465	39	109.5769	3.388	43	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:3:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	109.5030	1.096	5	109.5030	1.202	5	109.5382	3.465	39	109.5769	3.388	43	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:3:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HH)(CNO)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]HH)(CNO)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	107.5630	0.928	2	107.5630	0.861	2	109.5382	3.465	39	109.5769	3.388	43	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:3:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HO)(CCC)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CCC)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	109.8870	0.000	1	109.8870	0.000	1	109.5382	3.465	39	109.5769	3.388	43	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:3:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HO)(CNO)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CNO)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]CC)(H)	106.2220	0.000	1	106.2220	0.000	1	109.5382	3.465	39	109.5769	3.388	43	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:3:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CF3)(COO)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CF3)(COO)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	109.9160	0.000	1	109.9160	0.000	1	109.5382	3.465	39	109.5769	3.388	43	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:3:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CH3)(CCH)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CH3)(CCH)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	111.3640	0.000	1	109.5950	6.259	2	109.5382	3.465	39	109.5769	3.388	43	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:3:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CH3)(CCH)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CH3)(CCH)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|N<2>,2|H<1>}	O(CC[6a]CC)(H)	107.8260	0.000	1	109.5950	6.259	2	109.5382	3.465	39	109.5769	3.388	43	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:3:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CH3)(CCO)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CH3)(CCO)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	109.6940	0.000	1	109.6940	0.000	1	109.5382	3.465	39	109.5769	3.388	43	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:3:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CH3)(CNN)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CH3)(CNN)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	107.0050	0.000	1	107.0050	0.000	1	109.5382	3.465	39	109.5769	3.388	43	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:3:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CH3)(CNO)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CH3)(CNO)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	107.0860	0.000	1	107.0860	0.000	1	109.5382	3.465	39	109.5769	3.388	43	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:3:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CHHN)(COO)(OH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CHHN)(COO)(OH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	108.3100	0.000	1	108.3100	0.000	1	109.5382	3.465	39	109.5769	3.388	43	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:3:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CHHN)(COO)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CHHN)(COO)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	110.5760	1.305	2	110.5760	1.704	2	109.5382	3.465	39	109.5769	3.388	43	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:3:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CHHO)(COO)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CHHO)(COO)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]CC)(H)	108.4775	0.135	2	108.4775	0.018	2	109.5382	3.465	39	109.5769	3.388	43	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:3:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CN[6a]HH)(CHO)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CN[6a]HH)(CHO)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	112.3490	0.000	1	112.3490	0.000	1	109.5382	3.465	39	109.5769	3.388	43	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:3:2:	3:3:4:	4:1:	C[6a]-3:C[5]-4:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2H)(COO)(OH)	C[6a](C[6a]C[6a]H)2(CC[5]CO)	O(CC[6a]C[5]C)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(COO)(OH)	C[6a](C[6a]C[6a]H)2(CC[5]CO){1|C<3>,2|H<1>}	O(CC[6a]C[5]C)(H)	109.6663	2.122	3	109.6663	4.504	3	109.6663	4.504	3	109.5769	3.388	43	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:3:2:	3:3:4:	4:4:	C[6a]-3:C-4:C-3:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a,6a]C[6a])(CH3)(CNO)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCCO)	O(CC[6a]CC)(CH3)	C(C[6a]C[6a,6a]C[6a])(CH3)(CNO)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCCO){2|H<1>,3|C<3>}	O(CC[6a]CC)(CH3)	112.1900	0.000	1	112.1900	0.000	1	111.6193	0.538	6	110.1754	8.226	52	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:3:2:	3:3:4:	4:4:	C[6a]-3:C-4:C-3:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a,6a]C[6a])(CH3)(COO)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CCCO)	O(CC[6a]CC)(CH3)	C(C[6a]C[6a,6a]C[6a])(CH3)(COO)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CCCO){1|H<1>,4|C<3>}	O(CC[6a]CC)(CH3)	111.1920	0.000	1	111.1920	0.000	1	111.6193	0.538	6	110.1754	8.226	52	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:3:2:	3:3:4:	4:4:	C[6a]-3:C-4:C-3:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a,6a]C[6a])(CH3)(COO)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCCO)	O(CC[6a]CC)(CH3)	C(C[6a]C[6a,6a]C[6a])(CH3)(COO)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCCO){2|H<1>,3|C<3>}	O(CC[6a]CC)(CH3)	111.5835	0.852	4	111.5835	0.726	4	111.6193	0.538	6	110.1754	8.226	52	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:3:2:	3:3:4:	4:4:	C[6a]-3:C-4:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CCCO)(COO)(OC)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(CC[6a]HH)	C(C[6a]C[6a]2)(CCCO)(COO)(OC)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(CC[6a]HH)	112.1680	0.000	1	112.1680	0.000	1	110.0756	9.095	42	110.1754	8.226	52	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:3:2:	3:3:4:	4:4:	C[6a]-3:C-4:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CCHH)(COO)(OC)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(CC[6a]HH)	C(C[6a]C[6a]2)(CCHH)(COO)(OC)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(CC[6a]HH)	107.0000	0.000	1	107.0000	0.000	1	110.0756	9.095	42	110.1754	8.226	52	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:3:2:	3:3:4:	4:4:	C[6a]-3:C-4:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CCHO)(COO)(OC)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(CC[6a]HH)	C(C[6a]C[6a]2)(CCHO)(COO)(OC)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(CC[6a]HH)	107.4970	0.000	1	107.4970	0.000	1	110.0756	9.095	42	110.1754	8.226	52	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:3:2:	3:3:4:	4:4:	C[6a]-3:C-4:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(OC)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(CC[6a]HH)	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(OC)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(CC[6a]HH)	110.8230	1.164	2	110.8230	1.355	2	110.0756	9.095	42	110.1754	8.226	52	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:3:2:	3:3:4:	4:4:	C[6a]-3:C-4:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(OC)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(CC[6a]HO)	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(OC)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(CC[6a]HO)	107.4800	0.000	1	107.4800	0.000	1	110.0756	9.095	42	110.1754	8.226	52	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:3:2:	3:3:4:	4:4:	C[6a]-3:C-4:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(COO)(OC)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(CCHO)	C(C[6a]C[6a]2)(CC[6a]HN)(COO)(OC)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(CCHO)	104.2130	0.000	1	104.2130	0.000	1	110.0756	9.095	42	110.1754	8.226	52	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:3:2:	3:3:4:	4:4:	C[6a]-3:C-4:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(COO)(OC)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(CC[6a]HH)	C(C[6a]C[6a]2)(CC[6a]HN)(COO)(OC)	C[6a](C[6a]C[6a]H)2(CCCO){1|Br<1>,1|C<3>,1|H<1>}	O(CC[6a]CC)(CC[6a]HH)	110.8170	0.000	1	111.6740	1.469	2	110.0756	9.095	42	110.1754	8.226	52	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:3:2:	3:3:4:	4:4:	C[6a]-3:C-4:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(COO)(OC)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(CC[6a]HH)	C(C[6a]C[6a]2)(CC[6a]HN)(COO)(OC)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(CC[6a]HH)	112.5310	0.000	1	111.6740	1.469	2	110.0756	9.095	42	110.1754	8.226	52	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:3:2:	3:3:4:	4:4:	C[6a]-3:C-4:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(COO)(OC)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(CC[6a]HH)	C(C[6a]C[6a]2)(CC[6a]HO)(COO)(OC)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(CC[6a]HH)	111.1950	0.000	1	111.1950	0.000	1	110.0756	9.095	42	110.1754	8.226	52	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:3:2:	3:3:4:	4:4:	C[6a]-3:C-4:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CF3)(CNO)(OC)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(CH3)	C(C[6a]C[6a]2)(CF3)(CNO)(OC)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(CH3)	109.5140	3.546	4	109.5140	12.574	4	110.0756	9.095	42	110.1754	8.226	52	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:3:2:	3:3:4:	4:4:	C[6a]-3:C-4:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CF3)(COO)(OC)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(CH3)	C(C[6a]C[6a]2)(CF3)(COO)(OC)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(CH3)	110.1656	3.512	21	110.1656	12.337	21	110.0756	9.095	42	110.1754	8.226	52	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:3:2:	3:3:4:	4:4:	C[6a]-3:C-4:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CH3)(CNO)(OC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCCO)	O(CC[6a]CC)(CH3)	C(C[6a]C[6a]2)(CH3)(CNO)(OC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(CH3)	109.7010	0.000	1	109.7010	0.000	1	110.0756	9.095	42	110.1754	8.226	52	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:3:2:	3:3:4:	4:4:	C[6a]-3:C-4:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CH3)(CNO)(OC)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(CH3)	C(C[6a]C[6a]2)(CH3)(CNO)(OC)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(CH3)	110.9470	0.000	1	110.9470	0.000	1	110.0756	9.095	42	110.1754	8.226	52	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:3:2:	3:3:4:	4:4:	C[6a]-3:C-4:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CHHN)(COO)(OC)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(CC[6a]HH)	C(C[6a]C[6a]2)(CHHN)(COO)(OC)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(CC[6a]HH)	109.7580	0.000	1	109.7580	0.000	1	110.0756	9.095	42	110.1754	8.226	52	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:3:2:	3:3:4:	4:4:	C[6a]-3:C-4:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CHHN)(COO)(OC)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(CH3)	C(C[6a]C[6a]2)(CHHN)(COO)(OC)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(CH3)	109.9780	0.000	1	109.9780	0.000	1	110.0756	9.095	42	110.1754	8.226	52	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:3:2:	3:3:4:	4:4:	C[6a]-3:C-4:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CHOO)(COO)(OC)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(CH3)	C(C[6a]C[6a]2)(CHOO)(COO)(OC)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(CH3)	112.2370	0.213	3	112.2370	0.045	3	110.0756	9.095	42	110.1754	8.226	52	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:3:2:	3:3:4:	4:4:	C[6a]-3:C-4:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:P-4:	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(OP)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(PO3)	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(OP)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(PO3)	106.9010	0.000	1	106.9010	0.000	1	106.5270	0.280	2	110.1754	8.226	52	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:3:2:	3:3:4:	4:4:	C[6a]-3:C-4:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:P-4:	C(C[6a]C[6a]2)(CC[6a]HN)(COO)(OP)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(PO3)	C(C[6a]C[6a]2)(CC[6a]HN)(COO)(OP)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]CC)(PO3)	106.1530	0.000	1	106.1530	0.000	1	106.5270	0.280	2	110.1754	8.226	52	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:3:2:	3:3:4:	4:4:	C[6a]-3:C-4:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:Si-4:	C(C[6a]C[6a]2)(CF3)(CCH)(OSi)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(SiC3)	C(C[6a]C[6a]2)(CF3)(CCH)(OSi)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(SiC3)	111.3750	0.000	1	111.3750	0.000	1	111.3750	0.000	1	110.1754	8.226	52	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:3:2:	3:3:4:	4:4:	C[6a]-3:C[5]-4:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(C[5]C[5]2N)(COO)(OC)	C[6a](C[6a]C[6a]H)2(CC[5]CO)	O(CC[6a]C[5]C)(CC[6a]HH)	C(C[6a]C[6a]2)(C[5]C[5]2N)(COO)(OC)	C[6a](C[6a]C[6a]H)2(CC[5]CO){1|C<3>,2|H<1>}	O(CC[6a]C[5]C)(CC[6a]HH)	111.7980	0.000	1	111.7980	0.000	1	111.7980	0.000	1	110.1754	8.226	52	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:2:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:N[6a]-2:C-4:	C-4:H-1:	C(C[6a]C[6a]N[6a])(CCHH)(CH3)(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]N[6a])(CCHH)(CH3)(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	109.1313	1.647	12	109.1313	2.713	12	109.1039	2.224	17	109.0199	2.221	18	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:2:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:N[6a]-2:C-4:	C-4:H-1:	C(C[6a]C[6a]N[6a])(CCHH)2(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]N[6a])(CCHH)2(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	109.8207	0.717	3	109.8207	0.515	3	109.1039	2.224	17	109.0199	2.221	18	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:2:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:N[6a]-2:C-4:	C-4:H-1:	C(C[6a]C[6a]N[6a])(CH3)2(OH)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]N[6a])(CH3)2(OH)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(CCCO){1|O<2>,4|C<3>}	O(CC[6a]CC)(H)	108.0800	0.000	1	108.0800	0.000	1	109.1039	2.224	17	109.0199	2.221	18	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:2:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:N[6a]-2:C-4:	C-4:H-1:	C(C[6a]C[6a]N[6a])(CHHN)(CH3)(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]N[6a])(CHHN)(CH3)(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	107.6480	0.000	1	107.6480	0.000	1	109.1039	2.224	17	109.0199	2.221	18	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:2:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:O[6a]-2:C-4:	C-4:H-1:	C(C[6a]C[6a]O[6a])(CH3)2(OH)	C[6a](C[6a]C[6a,6a]C[6a])(O[6a]C[6a])(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]O[6a])(CH3)2(OH)	C[6a](C[6a]C[6a,6a]C[6a])(O[6a]C[6a])(CCCO){1|O<1>,4|C<3>}	O(CC[6a]CC)(H)	107.5920	0.000	1	107.5920	0.000	1	107.5920	0.000	1	109.0199	2.221	18	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[4,6a]-3:C[5,6a]-3:C-4:	C-4:H-1:	C(C[6a]C[4,6a]C[5,6a])(CH3)2(OH)	C[6a](C[4,6a]C[4,6,6]C[4,6a])(C[5,6a]C[5,6a]C[5])(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[4,6a]C[5,6a])(CH3)2(OH)	C[6a](C[4,6a]C[4,6,6]C[4,6a])(C[5,6a]C[5,6a]C[5])(CCCO){1|C<3>,1|O<1>,2|O<2>,3|C<4>}	O(CC[6a]CC)(H)	111.4700	0.000	1	111.4700	0.000	1	111.4700	0.000	1	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a,6a]C[6a])(CC[6a]2H)(CCHH)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a,6a]C[6a])(CC[6a]2H)(CCHH)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCCO){2|H<1>,3|C<3>}	O(CC[6a]CC)(H)	108.6605	1.275	8	108.6605	1.627	8	108.6605	1.627	8	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CBrFF)(CHHN)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CBrFF)(CHHN)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	112.5110	0.000	1	112.5110	0.000	1	109.3397	4.235	166	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CBrHH)(CHHO)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CBrHH)(CHHO)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|C<4>}	O(CC[6a]CC)(H)	112.8463	0.300	3	111.5805	6.469	4	109.3397	4.235	166	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CBrHH)(CHHO)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CBrHH)(CHHO)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	107.7830	0.000	1	111.5805	6.469	4	109.3397	4.235	166	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC3)(CH3)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC3)(CH3)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	108.5745	0.635	4	108.5745	0.404	4	109.3397	4.235	166	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCCH)(CF3)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCCH)(CF3)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	109.8990	0.330	2	109.8990	0.109	2	109.3397	4.235	166	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCCH)(CH3)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCCH)(CH3)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	110.4220	0.000	1	110.4220	0.000	1	109.3397	4.235	166	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCCH)(CHHO)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCCH)(CHHO)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	107.3520	0.119	2	107.3520	0.014	2	109.3397	4.235	166	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCCH)2(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCCH)2(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCCO){2|H<1>,3|C<3>}	O(CC[6a]CC)(H)	109.9175	0.306	2	109.9175	0.094	2	109.3397	4.235	166	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCFF)(CCHH)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCFF)(CCHH)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	109.0543	2.559	3	109.0543	6.551	3	109.3397	4.235	166	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCFF)(CF3)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCFF)(CF3)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	108.4550	0.000	1	108.4550	0.000	1	109.3397	4.235	166	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCFF)(CH3)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCFF)(CH3)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	111.4490	0.000	1	111.4490	0.000	1	109.3397	4.235	166	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCFH)(CH3)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCFH)(CH3)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	108.7170	4.381	2	108.7170	19.195	2	109.3397	4.235	166	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(CC3)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCHH)(CC3)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	109.3505	0.404	2	109.3505	0.163	2	109.3397	4.235	166	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(CCl3)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCHH)(CCl3)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCCO){1|H<1>,2|C<3>}	O(CC[6a]CC)(H)	107.9065	0.315	2	107.9065	0.099	2	109.3397	4.235	166	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(CF3)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCHH)(CF3)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	109.7869	2.266	7	109.7869	5.134	7	109.3397	4.235	166	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(CFHH)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCHH)(CFHH)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	107.6655	0.459	2	107.6655	0.211	2	109.3397	4.235	166	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(CH3)(OH)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCHH)(CH3)(OH)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CCCO){1|H<1>,2|C<3>}	O(CC[6a]CC)(H)	112.3280	0.000	1	112.3280	0.000	1	109.3397	4.235	166	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(CH3)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCHH)(CH3)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	108.8937	1.116	8	108.8937	1.245	8	109.3397	4.235	166	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(CHHN)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCHH)(CHHN)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	112.7240	0.000	1	112.7240	0.000	1	109.3397	4.235	166	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCHH)2(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCHH)2(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	107.3105	0.545	2	107.3105	0.297	2	109.3397	4.235	166	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCHN)(CF3)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCHN)(CF3)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|Br<1>,1|C<3>,1|H<1>}	O(CC[6a]CC)(H)	109.2770	0.000	1	108.7935	0.468	2	109.3397	4.235	166	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCHN)(CF3)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCHN)(CF3)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	108.3100	0.000	1	108.7935	0.468	2	109.3397	4.235	166	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCHN)(CH3)(OH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCHN)(CH3)(OH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	109.2800	0.332	2	109.2800	0.110	2	109.3397	4.235	166	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCHO)(CH3)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCHO)(CH3)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	110.3723	0.071	3	110.3723	0.005	3	109.3397	4.235	166	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[5]CC)(CH3)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[5]CC)(CH3)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	109.7980	0.000	1	109.7980	0.000	1	109.3397	4.235	166	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]2H)(CCCH)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]2H)(CCCH)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	109.5930	0.000	1	109.4950	0.019	2	109.3397	4.235	166	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]2H)(CCCH)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]2H)(CCCH)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCO){1|Cl<1>,1|C<3>,1|H<1>}	O(CC[6a]CC)(H)	109.3970	0.000	1	109.4950	0.019	2	109.3397	4.235	166	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CC)(CH3)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]CC)(CH3)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	106.5660	2.879	2	106.5660	8.291	2	109.3397	4.235	166	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CF)(CCHH)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]CF)(CCHH)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	107.9105	0.477	2	107.9105	0.228	2	109.3397	4.235	166	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(CBrHH)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CBrHH)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	111.7850	0.000	1	111.7850	0.000	1	109.3397	4.235	166	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(CCCH)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCCH)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	109.7210	0.000	1	109.7210	0.000	1	109.3397	4.235	166	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(CCFF)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCFF)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	108.9455	0.643	2	108.9455	0.413	2	109.3397	4.235	166	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]HH)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]HH)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	107.8240	0.000	1	107.8240	0.000	1	109.3397	4.235	166	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]HO)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]HO)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	107.0843	0.699	3	107.0843	0.489	3	109.3397	4.235	166	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	108.9030	2.213	3	108.9030	4.898	3	109.3397	4.235	166	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(CHHO)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CHHO)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	111.6890	0.000	1	111.6890	0.000	1	109.3397	4.235	166	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(CN[5a]HH)(OH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CN[5a]HH)(OH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	106.3740	0.000	1	106.3740	0.000	1	109.3397	4.235	166	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CO)(CCHH)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]CO)(CCHH)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	107.8450	2.184	2	107.8450	4.768	2	109.3397	4.235	166	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CO)(CH3)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]CO)(CH3)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|N<2>,2|H<1>}	O(CC[6a]CC)(H)	107.0360	0.000	1	107.0360	0.000	1	109.3397	4.235	166	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	110.6080	0.000	2	110.6080	0.000	2	109.3397	4.235	166	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HO)(CC3)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CC3)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	107.1440	0.000	1	107.1440	0.000	1	109.3397	4.235	166	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HO)(CCCH)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CCCH)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	107.3220	1.020	2	107.3220	1.040	2	109.3397	4.235	166	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HO)(CHHN)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CHHN)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	111.0800	0.000	1	111.0800	0.000	1	109.3397	4.235	166	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCl2H)(CCHH)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCl2H)(CCHH)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	110.4650	0.000	1	110.4650	0.000	1	109.3397	4.235	166	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CF3)2(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CF3)2(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CCCO){1|H<1>,2|C<3>}	O(CC[6a]CC)(H)	113.7470	0.000	1	113.7470	0.000	1	109.3397	4.235	166	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CF3)2(OH)	C[6a](C[6a]C[6a]Ge[5])(C[6a]C[6a]H)(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CF3)2(OH)	C[6a](C[6a]C[6a]Ge[5])(C[6a]C[6a]H)(CCCO){1|Ge<4>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(CC[6a]CC)(H)	109.9445	0.868	2	109.9445	0.753	2	109.3397	4.235	166	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CF3)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CF3)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CCCO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]CC)(H)	111.3695	4.791	2	111.3695	22.950	2	109.3397	4.235	166	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CF3)2(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CF3)2(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]CC)(H)	111.8427	2.697	4	110.8288	6.841	6	109.3397	4.235	166	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CF3)2(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CF3)2(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	108.8010	0.223	2	110.8288	6.841	6	109.3397	4.235	166	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CF3)2(OH)	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CF3)2(OH)	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(CCCO){1|Si<4>,1|O<2>,2|C<3>,2|H<1>}	O(CC[6a]CC)(H)	107.4380	1.067	4	107.4380	1.139	4	109.3397	4.235	166	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CFFS)(CH3)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CFFS)(CH3)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	105.9200	0.000	1	105.9200	0.000	1	109.3397	4.235	166	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CH3)2(OH)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]H)(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CH3)2(OH)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]H)(CCCO){1|H<1>,2|C<3>}	O(CC[6a]CC)(H)	109.2720	0.000	1	109.2720	0.000	1	109.3397	4.235	166	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CH3)2(OH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CH3)2(OH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCCO){1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]CC)(H)	106.2975	0.214	2	106.2975	0.046	2	109.3397	4.235	166	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CH3)2(OH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CH3)2(OH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CCCO){1|H<1>,2|C<3>}	O(CC[6a]CC)(H)	112.2955	0.261	2	112.2955	0.068	2	109.3397	4.235	166	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CH3)2(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CH3)2(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCCO){2|H<1>,3|C<3>}	O(CC[6a]CC)(H)	109.8167	1.223	3	109.8167	1.495	3	109.3397	4.235	166	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CH3)2(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CH3)2(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCO){1|Br<1>,1|C<3>,1|H<1>}	O(CC[6a]CC)(H)	108.6773	0.276	4	108.7074	1.030	8	109.3397	4.235	166	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CH3)2(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CH3)2(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	108.7375	1.524	4	108.7074	1.030	8	109.3397	4.235	166	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CH3)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CH3)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	107.6273	2.012	6	107.6273	4.047	6	109.3397	4.235	166	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CH3)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CH3)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	109.1413	0.186	3	109.1413	0.035	3	109.3397	4.235	166	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CH3)2(OH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CH3)2(OH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CCCO){2|H<1>,3|C<3>}	O(CC[6a]CC)(H)	109.3900	0.000	1	109.3900	0.000	1	109.3397	4.235	166	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CHHN)(CF3)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CHHN)(CF3)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	111.2303	2.131	3	111.2303	4.539	3	109.3397	4.235	166	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CHHN)(CH3)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CHHN)(CH3)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	108.1300	0.000	1	108.1300	0.000	1	109.3397	4.235	166	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CHHN)2(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CHHN)2(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	107.8630	0.000	1	107.8630	0.000	1	109.3397	4.235	166	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CHHO)(CF3)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CHHO)(CF3)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	108.4270	0.000	1	108.4270	0.000	1	109.3397	4.235	166	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CHHS)(CH3)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CHHS)(CH3)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	111.6235	0.910	2	111.6235	0.828	2	109.3397	4.235	166	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CHSS)(CH3)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CHSS)(CH3)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	111.5430	0.000	1	111.5430	0.000	1	109.3397	4.235	166	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CN[5]CH)(CH3)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CN[5]CH)(CH3)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	112.3030	0.000	1	112.3030	0.000	1	109.3397	4.235	166	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CN[5]HH)(CH3)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CN[5]HH)(CH3)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	107.5715	0.173	2	107.5715	0.030	2	109.3397	4.235	166	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CN[5]HH)2(OH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CN[5]HH)2(OH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	106.9535	0.568	2	106.9535	0.322	2	109.3397	4.235	166	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CN[5]HH)2(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CN[5]HH)2(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	107.6600	0.000	1	107.6600	0.000	1	109.3397	4.235	166	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CN[5a]CH)(CH3)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CN[5a]CH)(CH3)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	111.6075	0.066	2	111.6075	0.004	2	109.3397	4.235	166	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CN[5a]HH)(CCHH)(OH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CN[5a]HH)(CCHH)(OH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	105.7100	0.000	1	105.7100	0.000	1	109.3397	4.235	166	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CN[5a]HH)(CC[3]CH)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CN[5a]HH)(CC[3]CH)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	111.3565	1.076	2	111.3565	1.157	2	109.3397	4.235	166	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CN[5a]HH)(CHHN)(OH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CN[5a]HH)(CHHN)(OH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	110.0120	0.000	1	110.0120	0.000	1	109.3397	4.235	166	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CN[5a]HH)(CN[5]HH)(OH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CN[5a]HH)(CN[5]HH)(OH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	106.9030	0.000	1	106.9030	0.000	1	109.3397	4.235	166	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CN[5a]HH)2(OH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CN[5a]HH)2(OH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	110.4007	1.856	15	110.4007	3.446	15	109.3397	4.235	166	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CRuCC)(CH3)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CRuCC)(CH3)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(H)	110.8315	0.098	2	110.8315	0.010	2	109.3397	4.235	166	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:P-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HH)(PO3)(OH)	C[6a](C[6a]C[6a]H)2(CCOP)	O(CC[6a]CP)(H)	C(C[6a]C[6a]2)(CC[6a]HH)(PO3)(OH)	C[6a](C[6a]C[6a]H)2(CCOP){1|C<3>,2|H<1>}	O(CC[6a]CP)(H)	107.6255	0.736	2	107.6255	0.542	2	108.0855	8.534	6	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:P-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CH3)(PO3)(OH)	C[6a](C[6a]C[6a]H)2(CCOP)	O(CC[6a]CP)(H)	C(C[6a]C[6a]2)(CH3)(PO3)(OH)	C[6a](C[6a]C[6a]H)2(CCOP){1|C<3>,2|H<1>}	O(CC[6a]CP)(H)	108.1770	0.668	2	108.1770	0.446	2	108.0855	8.534	6	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:P-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CHHN)(PO3)(OH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCOP)	O(CC[6a]CP)(H)	C(C[6a]C[6a]2)(CHHN)(PO3)(OH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCOP){1|C<3>,2|H<1>}	O(CC[6a]CP)(H)	108.4540	6.401	2	108.4540	40.969	2	108.0855	8.534	6	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C[4]-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(C[4]C[4]2H)(CCHO)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[4]CO)	O(CC[6a]C[4]C)(H)	C(C[6a]C[6a]2)(C[4]C[4]2H)(CCHO)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[4]CO){1|C<3>,2|H<1>}	O(CC[6a]C[4]C)(H)	110.4100	0.000	1	110.4100	0.000	1	110.4100	0.000	1	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C[5]-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2H)(CC[6a]HO)(OH)	C[6a](C[6a]C[6a]H)2(CC[5]CO)	O(CC[6a]C[5]C)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(CC[6a]HO)(OH)	C[6a](C[6a]C[6a]H)2(CC[5]CO){1|C<3>,2|H<1>}	O(CC[6a]C[5]C)(H)	108.9190	1.607	2	108.9190	2.581	2	108.9190	2.581	2	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C[6]-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6]CO)	O(CC[6a]C[6]C)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6]CO){1|C<3>,2|H<1>}	O(CC[6a]C[6]C)(H)	107.3090	0.000	1	107.3090	0.000	1	108.4380	2.549	2	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C[6]-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)(OH)	C[6a](C[6a]C[6a]H)2(CC[6]CO)	O(CC[6a]C[6]C)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)(OH)	C[6a](C[6a]C[6a]H)2(CC[6]CO){1|C<3>,2|O<2>}	O(CC[6a]C[6]C)(H)	109.5670	0.000	1	109.5670	0.000	1	108.4380	2.549	2	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:P-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(PC[6a]OO)(CCHH)(OH)	C[6a](C[6a]C[6a]H)2(CCOP)	O(CC[6a]CP)(H)	C(C[6a]C[6a]2)(PC[6a]OO)(CCHH)(OH)	C[6a](C[6a]C[6a]H)2(CCOP){1|C<3>,2|H<1>}	O(CC[6a]CP)(H)	106.6080	0.000	2	106.6080	0.000	2	108.8043	14.472	3	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:P-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(PC[6a]OO)(CH3)(OH)	C[6a](C[6a]C[6a]H)2(CCOP)	O(CC[6a]CP)(H)	C(C[6a]C[6a]2)(PC[6a]OO)(CH3)(OH)	C[6a](C[6a]C[6a]H)2(CCOP){1|C<3>,2|H<1>}	O(CC[6a]CP)(H)	113.1970	0.000	1	113.1970	0.000	1	108.8043	14.472	3	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:P-4:P-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(PO3)2(OH)	C[6a](C[6a]C[6a]H)2(COPP)	O(CC[6a]PP)(H)	C(C[6a]C[6a]2)(PO3)2(OH)	C[6a](C[6a]C[6a]H)2(COPP){1|C<3>,2|H<1>}	O(CC[6a]PP)(H)	109.0007	1.205	3	109.0007	1.453	3	109.0007	1.453	3	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:P[6]-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(P[6]O[6]2O)(CH3)(OH)	C[6a](C[6a]C[6a]H)2(CP[6]CO)	O(CC[6a]P[6]C)(H)	C(C[6a]C[6a]2)(P[6]O[6]2O)(CH3)(OH)	C[6a](C[6a]C[6a]H)2(CP[6]CO){1|C<3>,2|H<1>}	O(CC[6a]P[6]C)(H)	107.4480	0.000	1	107.4480	0.000	1	107.4480	0.000	1	109.2521	4.239	193	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:2:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:	C(C[6a]C[6a]2)(CH3)2(OO)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(OC)	C(C[6a]C[6a]2)(CH3)2(OO)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(OC)	110.1530	0.300	3	110.1530	0.090	3	110.1633	0.060	4	110.1633	0.060	4	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:2:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:	C(C[6a]C[6a]2)(CH3)2(OO)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(OC[5])	C(C[6a]C[6a]2)(CH3)2(OO)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(OC[5])	110.1940	0.000	1	110.1940	0.000	1	110.1633	0.060	4	110.1633	0.060	4	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:4:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CCCH)(CH3)(OC)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(CH3)	C(C[6a]C[6a]2)(CCCH)(CH3)(OC)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(CH3)	110.5970	0.000	2	110.5970	0.000	2	110.4170	1.176	6	110.6128	1.102	8	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:4:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CCCO)(CH3)(OC)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(CH3)	C(C[6a]C[6a]2)(CCCO)(CH3)(OC)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(CH3)	109.6000	0.000	1	109.6000	0.000	1	110.4170	1.176	6	110.6128	1.102	8	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:4:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CHHO)(OC)	C[6a](C[6a]C[6a]H)2(CCCO)	O(CC[6a]CC)(CC[6a]HH)	C(C[6a]C[6a]2)(CC[6a]CH)(CHHO)(OC)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	O(CC[6a]CC)(CC[6a]HH)	109.6495	0.057	2	109.6495	0.003	2	110.4170	1.176	6	110.6128	1.102	8	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:4:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CH3)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCCO)	O(CC[5a]CH)(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCCO){1|C<3>,2|H<1>}	O(CC[5a]CH)(CC[6a]CC)	112.4090	0.000	1	112.4090	0.000	1	110.4170	1.176	6	110.6128	1.102	8	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:4:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:Si-4:	C(C[6a]C[6a]2)(CH3)2(OSi)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCO)	O(CC[6a]CC)(SiNNO)	C(C[6a]C[6a]2)(CH3)2(OSi)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCO){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	O(CC[6a]CC)(SiNNO)	111.8750	0.000	1	111.8750	0.000	1	111.8750	0.000	1	110.6128	1.102	8	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	3:4:4:2:	3:3:4:	4:4:	C[6a]-3:C-4:Si-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CCHH)(SiC3)(OC)	C[6a](C[6a]C[6a]H)2(CSiCO)	O(CC[6a]SiC)(CH3)	C(C[6a]C[6a]2)(CCHH)(SiC3)(OC)	C[6a](C[6a]C[6a]H)2(CSiCO){1|C<3>,2|H<1>}	O(CC[6a]SiC)(CH3)	110.5250	0.000	1	110.5250	0.000	1	110.5250	0.000	1	110.6128	1.102	8	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:2:1:	3:3:4:	4:1:	C-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(CC[6a]N[6]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(H)	C(CC[6a]N[6]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(H)	110.2677	0.813	3	110.2677	0.661	3	110.2677	0.661	3	110.9044	2.449	168	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:2:1:	3:3:4:	4:1:	C[3,5]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[3,5]C[3,5]C[5]O[3])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[3,5]HO)	O(CC[3,5]C[6a]H)(H)	C(C[3,5]C[3,5]C[5]O[3])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[3,5]HO){1|C<3>,2|H<1>}	O(CC[3,5]C[6a]H)(H)	109.5500	0.000	1	109.5500	0.000	1	109.5500	0.000	1	110.9044	2.449	168	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:2:1:	3:3:4:	4:1:	C[3]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[3]C[3,5]C[3]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[3]HO)	O(CC[6a]C[3]H)(H)	C(C[3]C[3,5]C[3]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[3]HO){1|C<3>,2|H<1>}	O(CC[6a]C[3]H)(H)	110.5390	0.000	1	110.5390	0.000	1	111.2182	4.505	10	110.9044	2.449	168	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:2:1:	3:3:4:	4:1:	C[3]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[3]HO)	O(CC[6a]C[3]H)(H)	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[3]HO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]C[3]H)(H)	113.2060	0.000	1	112.4345	1.241	4	111.2182	4.505	10	110.9044	2.449	168	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:2:1:	3:3:4:	4:1:	C[3]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[3]HO)	O(CC[6a]C[3]H)(H)	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[3]HO){1|C<3>,2|H<1>}	O(CC[6a]C[3]H)(H)	112.1773	1.210	3	112.4345	1.241	4	111.2182	4.505	10	110.9044	2.449	168	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:2:1:	3:3:4:	4:1:	C[3]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[3]C[3]O[3]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[3]HO)	O(CC[6a]C[3]H)(H)	C(C[3]C[3]O[3]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[3]HO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]C[3]H)(H)	112.8530	2.543	2	112.8530	6.466	2	111.2182	4.505	10	110.9044	2.449	168	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:2:1:	3:3:4:	4:1:	C[3]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[3]C[3]O[3]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[3]HO)	O(CC[6a]C[3]H)(H)	C(C[3]C[3]O[3]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[3]HO){1|C<3>,1|H<1>,1|O<2>}	O(CC[6a]C[3]H)(H)	108.4960	0.000	1	108.7330	0.053	3	111.2182	4.505	10	110.9044	2.449	168	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:2:1:	3:3:4:	4:1:	C[3]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[3]C[3]O[3]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[3]HO)	O(CC[6a]C[3]H)(H)	C(C[3]C[3]O[3]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[3]HO){1|C<3>,2|H<1>}	O(CC[6a]C[3]H)(H)	108.8515	0.149	2	108.7330	0.053	3	111.2182	4.505	10	110.9044	2.449	168	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:2:1:	3:3:4:	4:1:	C[3x6]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[3x6]HO)	O(CC[3x6]C[6a]H)(H)	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[3x6]HO){1|C<3>,2|H<1>}	O(CC[3x6]C[6a]H)(H)	110.7630	0.304	2	110.7630	0.092	2	112.0420	4.954	3	110.9044	2.449	168	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:2:1:	3:3:4:	4:1:	C[3x6]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[3x6]C[6,6]N[6,6]S[6,6])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[3x6]HO)	O(CC[3x6]C[6a]H)(H)	C(C[3x6]C[6,6]N[6,6]S[6,6])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[3x6]HO){1|C<3>,1|H<1>,1|O<2>}	O(CC[3x6]C[6a]H)(H)	114.6000	0.000	1	114.6000	0.000	1	112.0420	4.954	3	110.9044	2.449	168	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:2:1:	3:3:4:	4:1:	C[4]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[4]C[4]N[4]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[4]HO)	O(CC[6a]C[4]H)(H)	C(C[4]C[4]N[4]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[4]HO){1|C<3>,2|H<1>}	O(CC[6a]C[4]H)(H)	109.9403	2.135	6	109.9403	4.559	6	110.6621	4.078	9	110.9044	2.449	168	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:2:1:	3:3:4:	4:1:	C[4]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[4]C[4]O[4]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[4]HO)	O(CC[6a]C[4]H)(H)	C(C[4]C[4]O[4]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[4]HO){1|C<3>,2|H<1>}	O(CC[6a]C[4]H)(H)	112.1057	0.474	3	112.1057	0.224	3	110.6621	4.078	9	110.9044	2.449	168	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:2:1:	3:3:4:	4:1:	C[5]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[5]C[5,5]C[5]C)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CC[5]HO)	O(CC[6a]C[5]H)(H)	C(C[5]C[5,5]C[5]C)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CC[5]HO){2|C<3>}	O(CC[6a]C[5]H)(H)	111.2620	0.000	1	111.2620	0.000	1	110.8976	3.262	65	110.9044	2.449	168	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:2:1:	3:3:4:	4:1:	C[5]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	O(CC[6a]C[5]H)(H)	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO){1|C<3>,2|H<1>}	O(CC[6a]C[5]H)(H)	112.2040	0.000	1	112.2040	0.000	1	110.8976	3.262	65	110.9044	2.449	168	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:2:1:	3:3:4:	4:1:	C[5]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[5]C[5,6]C[5]O)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	O(CC[6a]C[5]H)(H)	C(C[5]C[5,6]C[5]O)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO){1|C<3>,2|H<1>}	O(CC[6a]C[5]H)(H)	112.3990	0.484	2	112.3990	0.234	2	110.8976	3.262	65	110.9044	2.449	168	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:2:1:	3:3:4:	4:1:	C[5]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[5]C[5,6a]C[5]F)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5]HO)	O(CC[6a]C[5]H)(H)	C(C[5]C[5,6a]C[5]F)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5]HO){1|C<3>,2|H<1>}	O(CC[6a]C[5]H)(H)	110.8640	0.544	4	110.8640	0.295	4	110.8976	3.262	65	110.9044	2.449	168	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:2:1:	3:3:4:	4:1:	C[5]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]HO)	O(CC[6a]C[5]H)(H)	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]HO){1|C<3>,2|H<1>}	O(CC[6a]C[5]H)(H)	111.0587	2.811	3	111.0587	7.900	3	110.8976	3.262	65	110.9044	2.449	168	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:2:1:	3:3:4:	4:1:	C[5]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	O(CC[6a]C[5]H)(H)	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO){1|C<3>,2|H<1>}	O(CC[6a]C[5]H)(H)	111.9967	1.728	3	111.9967	2.985	3	110.8976	3.262	65	110.9044	2.449	168	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:2:1:	3:3:4:	4:1:	C[5]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	O(CC[6a]C[5]H)(H)	C(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO){1|C<3>,2|H<1>}	O(CC[6a]C[5]H)(H)	112.1520	0.260	2	112.1520	0.068	2	110.8976	3.262	65	110.9044	2.449	168	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:2:1:	3:3:4:	4:1:	C[5]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5]HO)	O(CC[6a]C[5]H)(H)	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5]HO){1|C<3>,2|H<1>}	O(CC[6a]C[5]H)(H)	107.6000	1.305	2	107.6000	1.704	2	110.8976	3.262	65	110.9044	2.449	168	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:2:1:	3:3:4:	4:1:	C[5]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[5]HO)	O(CC[6a]C[5]H)(H)	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[5]HO){1|C<3>,2|H<1>}	O(CC[6a]C[5]H)(H)	110.5610	0.000	1	110.5610	0.000	1	110.8976	3.262	65	110.9044	2.449	168	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:2:1:	3:3:4:	4:1:	C[5]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5]HO)	O(CC[6a]C[5]H)(H)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5]HO){1|C<3>,2|H<1>}	O(CC[6a]C[5]H)(H)	111.0330	0.000	1	111.0330	0.000	1	110.8976	3.262	65	110.9044	2.449	168	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:2:1:	3:3:4:	4:1:	C[5]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[5]HO)	O(CC[6a]C[5]H)(H)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[5]HO){1|C<3>,2|H<1>}	O(CC[6a]C[5]H)(H)	111.5400	0.000	1	111.5400	0.000	1	110.8976	3.262	65	110.9044	2.449	168	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:2:1:	3:3:4:	4:1:	C[5]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	O(CC[6a]C[5]H)(H)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO){1|Br<1>,1|C<3>,1|H<1>}	O(CC[6a]C[5]H)(H)	112.1575	0.723	2	111.8528	2.410	5	110.8976	3.262	65	110.9044	2.449	168	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:2:1:	3:3:4:	4:1:	C[5]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	O(CC[6a]C[5]H)(H)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO){1|C<3>,2|H<1>}	O(CC[6a]C[5]H)(H)	111.6497	2.099	3	111.8528	2.410	5	110.8976	3.262	65	110.9044	2.449	168	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:2:1:	3:3:4:	4:1:	C[5]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]HO)	O(CC[6a]C[5]H)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]HO){1|F<1>,1|H<1>,1|N<2>}	O(CC[6a]C[5]H)(H)	111.3020	0.000	1	111.3020	0.000	1	110.8976	3.262	65	110.9044	2.449	168	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:2:1:	3:3:4:	4:1:	C[5]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	O(CC[6a]C[5]H)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO){1|C<3>,2|H<1>}	O(CC[6a]C[5]H)(H)	111.2735	1.553	17	111.2735	2.410	17	110.8976	3.262	65	110.9044	2.449	168	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:2:1:	3:3:4:	4:1:	C[5]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	O(CC[6a]C[5]H)(H)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO){1|C<3>,2|H<1>}	O(CC[6a]C[5]H)(H)	112.3170	0.000	1	112.3170	0.000	1	110.8976	3.262	65	110.9044	2.449	168	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:2:1:	3:3:4:	4:1:	C[5]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]HO)	O(CC[6a]C[5]H)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]HO){1|C<3>,2|C<4>}	O(CC[6a]C[5]H)(H)	112.4765	1.068	2	112.4765	1.142	2	110.8976	3.262	65	110.9044	2.449	168	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:2:1:	3:3:4:	4:1:	C[5]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	O(CC[6a]C[5]H)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO){1|C<3>,2|H<1>}	O(CC[6a]C[5]H)(H)	109.0576	1.727	9	109.0576	2.983	9	110.8976	3.262	65	110.9044	2.449	168	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:2:1:	3:3:4:	4:1:	C[5]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[5]HO)	O(CC[6a]C[5]H)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[5]HO){1|C<4>,1|H<1>,3|C<3>}	O(CC[6a]C[5]H)(H)	111.0005	0.023	2	111.0005	0.001	2	110.8976	3.262	65	110.9044	2.449	168	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:2:1:	3:3:4:	4:1:	C[5]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CC[5]HO)	O(CC[6a]C[5]H)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CC[5]HO){1|C<4>,2|C<3>,2|H<1>}	O(CC[6a]C[5]H)(H)	109.2692	1.630	5	109.2692	2.658	5	110.8976	3.262	65	110.9044	2.449	168	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:2:1:	3:3:4:	4:1:	C[5]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	O(CC[6a]C[5]H)(H)	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO){1|C<3>,2|H<1>}	O(CC[6a]C[5]H)(H)	112.9800	0.000	1	112.9800	0.000	1	110.8976	3.262	65	110.9044	2.449	168	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:2:1:	3:3:4:	4:1:	C[5]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[5]C[5a]N[5]O[5])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[5]HO)	O(CC[6a]C[5]H)(H)	C(C[5]C[5a]N[5]O[5])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[5]HO){1|C<4>,2|C<3>,2|H<1>}	O(CC[6a]C[5]H)(H)	112.4880	0.000	1	112.4880	0.000	1	110.8976	3.262	65	110.9044	2.449	168	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:2:1:	3:3:4:	4:1:	C[6,6]-4:C[6a]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6,6a]C[6a])(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CC[6,6]HO)	O(CC[6,6]C[6a]H)(H)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6,6a]C[6a])(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CC[6,6]HO){1|C<2>,1|C<3>,1|N<2>,2|H<1>}	O(CC[6,6]C[6a]H)(H)	108.3730	0.000	1	108.3730	0.000	1	108.3730	0.000	1	110.9044	2.449	168	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:2:1:	3:3:4:	4:1:	C[6,6]-4:C[6a]-3:O-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6,6]HO)	O(CC[6,6]C[6a]H)(H)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6,6]HO){1|N<2>,2|C<3>,2|H<1>}	O(CC[6,6]C[6a]H)(H)	111.0004	0.905	49	111.0004	0.820	49	111.0004	0.820	49	110.9044	2.449	168	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:2:1:	3:3:4:	4:1:	C[6,6]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6,6]C[6,6]2C)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6,6]HO)	O(CC[6,6]C[6a]H)(H)	C(C[6,6]C[6,6]2C)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6,6]HO){1|C<3>,2|H<1>}	O(CC[6,6]C[6a]H)(H)	110.1470	0.000	1	110.1470	0.000	1	110.1750	4.320	4	110.9044	2.449	168	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:2:1:	3:3:4:	4:1:	C[6,6]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6,6]HO)	O(CC[6,6]C[6a]H)(H)	C(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6,6]HO){1|C<3>,2|H<1>}	O(CC[6,6]C[6a]H)(H)	110.1843	2.545	3	110.1843	6.479	3	110.1750	4.320	4	110.9044	2.449	168	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:2:1:	3:3:4:	4:1:	C[6]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	O(CC[6a]C[6]H)(H)	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	O(CC[6a]C[6]H)(H)	110.5384	1.779	5	110.5384	3.166	5	110.9079	2.094	23	110.9044	2.449	168	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:2:1:	3:3:4:	4:1:	C[6]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6]C[5a,6]C[6]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]F)2(CC[6]HO)	O(CC[6a]C[6]H)(H)	C(C[6]C[5a,6]C[6]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]F)2(CC[6]HO){1|C<3>,2|F<1>}	O(CC[6a]C[6]H)(H)	109.9860	0.000	1	109.9860	0.000	1	110.9079	2.094	23	110.9044	2.449	168	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:2:1:	3:3:4:	4:1:	C[6]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	O(CC[6a]C[6]H)(H)	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	O(CC[6a]C[6]H)(H)	111.0035	2.613	2	111.0035	6.827	2	110.9079	2.094	23	110.9044	2.449	168	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:2:1:	3:3:4:	4:1:	C[6]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6]C[6]2Cr)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	O(CC[6a]C[6]H)(H)	C(C[6]C[6]2Cr)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	O(CC[6a]C[6]H)(H)	111.3770	0.000	1	111.3770	0.000	1	110.9079	2.094	23	110.9044	2.449	168	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:2:1:	3:3:4:	4:1:	C[6]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	O(CC[6a]C[6]H)(H)	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	O(CC[6a]C[6]H)(H)	112.1805	1.691	2	112.1805	2.858	2	110.9079	2.094	23	110.9044	2.449	168	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:2:1:	3:3:4:	4:1:	C[6]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6]HO)	O(CC[6a]C[6]H)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6]HO){1|C<3>,2|H<1>}	O(CC[6a]C[6]H)(H)	111.9270	0.000	1	111.9270	0.000	1	110.9079	2.094	23	110.9044	2.449	168	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:2:1:	3:3:4:	4:1:	C[6]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HO)	O(CC[6a]C[6]H)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HO){1|C<3>,2|H<1>}	O(CC[6a]C[6]H)(H)	110.9550	0.000	1	110.9550	0.000	1	110.9079	2.094	23	110.9044	2.449	168	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:2:1:	3:3:4:	4:1:	C[6]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	O(CC[6a]C[6]H)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	O(CC[6a]C[6]H)(H)	111.1734	1.335	5	111.1734	1.782	5	110.9079	2.094	23	110.9044	2.449	168	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:2:1:	3:3:4:	4:1:	C[6]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	O(CC[6a]C[6]H)(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	O(CC[6a]C[6]H)(H)	109.9267	1.309	4	109.9267	1.713	4	110.9079	2.094	23	110.9044	2.449	168	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:2:1:	3:3:4:	4:1:	C[6]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6]C[6]S[6]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	O(CC[6a]C[6]H)(H)	C(C[6]C[6]S[6]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	O(CC[6a]C[6]H)(H)	112.0020	0.000	1	112.0020	0.000	1	110.9079	2.094	23	110.9044	2.449	168	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:2:1:	3:3:4:	4:2:	C[5]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(OO)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	O(CC[6a]C[5]H)(OC)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(OO)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO){1|C<3>,2|H<1>}	O(CC[6a]C[5]H)(OC)	112.4090	0.000	1	112.4090	0.000	1	112.4090	0.000	1	112.4090	0.000	1	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:2:1:	3:3:4:	4:3:	C[6,6]-4:C[6a]-3:O-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:S-3:	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OS)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6,6]HO)	O(CC[6,6]C[6a]H)(SC[6a]O)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OS)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6,6]HO){1|N<2>,2|C<3>,2|H<1>}	O(CC[6,6]C[6a]H)(SC[6a]O)	110.3630	0.000	1	110.3630	0.000	1	110.3630	0.000	1	110.3630	0.000	1	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:2:1:	3:3:4:	4:4:	C-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(CC[6a]C[5]O)(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(CH3)	C(CC[6a]C[5]O)(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(CH3)	112.2275	0.663	2	112.2275	0.439	2	112.2275	0.439	2	110.8560	4.453	33	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:2:1:	3:3:4:	4:4:	C-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:Si-4:	C(CC[6a]N[6]H)(C[6a]C[6a]2)(OSi)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	O(CC[6a]CH)(SiC3)	C(CC[6a]N[6]H)(C[6a]C[6a]2)(OSi)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	O(CC[6a]CH)(SiC3)	111.2590	0.075	2	111.2590	0.006	2	111.2590	0.006	2	110.8560	4.453	33	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:2:1:	3:3:4:	4:4:	C[3]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:Si-4:	C(C[3]C[3]O[3]H)(C[6a]C[6a]2)(OSi)(H)	C[6a](C[6a]C[6a]H)2(CC[3]HO)	O(CC[6a]C[3]H)(SiC3)	C(C[3]C[3]O[3]H)(C[6a]C[6a]2)(OSi)(H)	C[6a](C[6a]C[6a]H)2(CC[3]HO){1|C<3>,2|H<1>}	O(CC[6a]C[3]H)(SiC3)	112.7210	0.000	1	112.7210	0.000	1	112.7210	0.000	1	110.8560	4.453	33	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:2:1:	3:3:4:	4:4:	C[5,6]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5,6]HO)	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[6a](C[6a]C[6a]H)2(CC[5,6]HO){1|C<3>,2|H<1>}	O(CC[5,6]C[6a]H)(CC[5,6]HH)	107.2940	0.000	1	107.2940	0.000	1	109.3976	1.746	5	110.8560	4.453	33	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:2:1:	3:3:4:	4:4:	C[5,6]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3: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[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[5,6]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[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[5,6]HO){1|C<3>,1|H<1>,1|O<2>}	O(CC[5,6]C[6a]H)(CHHO)	110.9160	0.000	1	110.9160	0.000	1	109.3976	1.746	5	110.8560	4.453	33	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:2:1:	3:3:4:	4:4:	C[5,6]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3: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[6a](C[6a]C[6a]H)2(CC[5,6]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[6a](C[6a]C[6a]H)2(CC[5,6]HO){1|C<3>,2|C<4>}	O(CC[5,6]C[6a]H)(CHHO)	109.4930	0.000	1	109.5927	0.070	3	109.3976	1.746	5	110.8560	4.453	33	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:2:1:	3:3:4:	4:4:	C[5,6]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3: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[6a](C[6a]C[6a]H)2(CC[5,6]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[6a](C[6a]C[6a]H)2(CC[5,6]HO){1|C<3>,2|O<2>}	O(CC[5,6]C[6a]H)(CHHO)	109.6425	0.353	2	109.5927	0.070	3	109.3976	1.746	5	110.8560	4.453	33	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:2:1:	3:3:4:	4:4:	C[5,6]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-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[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[5,6]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[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[5,6]HO){1|C<3>,2|H<1>}	O(CC[5,6]C[6a]H)(SiC3)	109.9545	0.986	2	109.9545	0.973	2	109.9545	0.973	2	110.8560	4.453	33	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:2:1:	3:3:4:	4:4:	C[5]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	O(CC[6a]C[5]H)(CH3)	C(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO){1|C<3>,2|H<1>}	O(CC[6a]C[5]H)(CH3)	113.6860	0.000	1	113.6860	0.000	1	112.0722	0.658	11	110.8560	4.453	33	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:2:1:	3:3:4:	4:4:	C[5]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[5]HO)	O(CC[6a]C[5]H)(CH3)	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[5]HO){1|C<3>,2|H<1>}	O(CC[6a]C[5]H)(CH3)	111.3970	0.000	1	111.3970	0.000	1	112.0722	0.658	11	110.8560	4.453	33	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:2:1:	3:3:4:	4:4:	C[5]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[5]C[5]2Rh)(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	O(CC[6a]C[5]H)(CCHH)	C(C[5]C[5]2Rh)(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO){1|C<3>,2|H<1>}	O(CC[6a]C[5]H)(CCHH)	112.9720	0.000	1	112.9720	0.000	1	112.0722	0.658	11	110.8560	4.453	33	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:2:1:	3:3:4:	4:4:	C[5]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	O(CC[6a]C[5]H)(CH3)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO){1|C<3>,2|H<1>}	O(CC[6a]C[5]H)(CH3)	112.2120	0.000	1	112.2120	0.000	1	112.0722	0.658	11	110.8560	4.453	33	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:2:1:	3:3:4:	4:4:	C[5]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	O(CC[6a]C[5]H)(CCHH)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO){1|C<3>,2|H<1>}	O(CC[6a]C[5]H)(CCHH)	111.5790	0.000	1	111.5790	0.000	1	112.0722	0.658	11	110.8560	4.453	33	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:2:1:	3:3:4:	4:4:	C[5]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	O(CC[6a]C[5]H)(CH3)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO){1|C<3>,2|H<1>}	O(CC[6a]C[5]H)(CH3)	111.6383	0.642	3	111.6383	0.412	3	112.0722	0.658	11	110.8560	4.453	33	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:2:1:	3:3:4:	4:4:	C[5]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	O(CC[6a]C[5]H)(CH3)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO){1|C<3>,2|H<1>}	O(CC[6a]C[5]H)(CH3)	111.6170	0.332	2	111.6170	0.110	2	112.0722	0.658	11	110.8560	4.453	33	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:2:1:	3:3:4:	4:4:	C[5]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[5]N[5,6]C[5]H)(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5]HO)	O(CC[6a]C[5]H)(CH3)	C(C[5]N[5,6]C[5]H)(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5]HO){1|C<3>,2|H<1>}	O(CC[6a]C[5]H)(CH3)	112.7990	0.000	1	112.7990	0.000	1	112.0722	0.658	11	110.8560	4.453	33	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:2:1:	3:3:4:	4:4:	C[5]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:P-4:	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(OP)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	O(CC[6a]C[5]H)(PO3)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(OP)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO){1|C<3>,2|H<1>}	O(CC[6a]C[5]H)(PO3)	109.3642	0.715	4	109.3642	0.511	4	109.3642	0.511	4	110.8560	4.453	33	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:2:1:	3:3:4:	4:4:	C[5]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(OC[6])(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	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[6a](C[6a]C[6a]H)2(CC[5]HO){1|C<3>,2|H<1>}	O(C[6]C[5]C[6]2)(CC[6a]C[5]H)	103.4730	0.000	1	103.4730	0.000	1	103.4730	0.000	1	110.8560	4.453	33	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:2:1:	3:3:4:	4:4:	C[6,6]-4:C[6a]-3:O-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6,6]HO)	O(CC[6,6]C[6a]H)(CH3)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6,6]HO){1|N<2>,2|C<3>,2|H<1>}	O(CC[6,6]C[6a]H)(CH3)	113.9125	0.047	2	113.9125	0.002	2	113.9125	0.002	2	110.8560	4.453	33	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:2:1:	3:3:4:	4:4:	C[6,6]-4:C[6a]-3:O-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:S-4:	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OS)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6,6]HO)	O(CC[6,6]C[6a]H)(SC[6a]OO)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OS)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6,6]HO){1|N<2>,2|C<3>,2|H<1>}	O(CC[6,6]C[6a]H)(SC[6a]OO)	109.1020	0.734	2	109.1020	0.539	2	109.1020	0.539	2	110.8560	4.453	33	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:2:1:	3:3:4:	4:4:	C[6]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6]C[6,6]C[6]C)(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	O(CC[6a]C[6]H)(CH3)	C(C[6]C[6,6]C[6]C)(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	O(CC[6a]C[6]H)(CH3)	111.9030	0.000	1	111.9030	0.000	1	111.9030	0.000	1	110.8560	4.453	33	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:2:2:	3:3:4:	4:4:	C[5]-4:C[6a]-3:O-2:C-2:	C[6a]-3:C[6a]-3:C-4:	C-4:Si-4:	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(OSi)(CN)	C[6a](C[6a]C[6a]H)2(CC[5]CO)	O(CC[6a]C[5]C)(SiC3)	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(OSi)(CN)	C[6a](C[6a]C[6a]H)2(CC[5]CO){1|C<3>,2|H<1>}	O(CC[6a]C[5]C)(SiC3)	112.1910	0.000	1	112.1910	0.000	1	112.1910	0.000	1	112.1910	0.000	1	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:3:2:	3:3:4:	4:1:	C[5]-4:C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(COO)(OH)	C[6a](C[6a]C[6a]H)2(CC[5]CO)	O(CC[6a]C[5]C)(H)	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(COO)(OH)	C[6a](C[6a]C[6a]H)2(CC[5]CO){1|C<3>,2|H<1>}	O(CC[6a]C[5]C)(H)	111.1970	0.229	2	111.1970	0.052	2	110.4523	2.437	10	110.4523	2.437	10	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:3:2:	3:3:4:	4:1:	C[5]-4:C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(COO)(OH)	C[6a](C[6a]C[6a]H)2(CC[5]CO)	O(CC[6a]C[5]C)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(COO)(OH)	C[6a](C[6a]C[6a]H)2(CC[5]CO){1|C<3>,2|H<1>}	O(CC[6a]C[5]C)(H)	110.2661	1.711	8	110.2661	2.928	8	110.4523	2.437	10	110.4523	2.437	10	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:3:2:	3:3:4:	4:4:	C[5]-4:C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(COO)(OC)	C[6a](C[6a]C[6a]H)2(CC[5]CO)	O(CC[6a]C[5]C)(CCHH)	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(COO)(OC)	C[6a](C[6a]C[6a]H)2(CC[5]CO){1|C<3>,2|H<1>}	O(CC[6a]C[5]C)(CCHH)	111.4550	0.260	2	111.4550	0.068	2	111.7185	0.262	6	111.0527	3.321	7	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:3:2:	3:3:4:	4:4:	C[5]-4:C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(COO)(OC)	C[6a](C[6a]C[6a]H)2(CC[5]CO)	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[6a](C[6a]C[6a]H)2(CC[5]CO){1|C<3>,2|H<1>}	O(CC[6a]C[5]C)(CC[6a]HH)	111.4455	0.008	2	111.4455	0.000	2	111.7185	0.262	6	111.0527	3.321	7	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:3:2:	3:3:4:	4:4:	C[5]-4:C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(COO)(OC)	C[6a](C[6a]C[6a]H)2(CC[5]CO)	O(CC[6a]C[5]C)(CH3)	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(COO)(OC)	C[6a](C[6a]C[6a]H)2(CC[5]CO){1|C<3>,2|H<1>}	O(CC[6a]C[5]C)(CH3)	111.8190	0.000	1	111.8190	0.000	1	111.7185	0.262	6	111.0527	3.321	7	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:3:2:	3:3:4:	4:4:	C[5]-4:C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(COO)(OC)	C[6a](C[6a]C[6a]H)2(CC[5]CO)	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[6a](C[6a]C[6a]H)2(CC[5]CO){1|C<3>,2|H<1>}	O(CC[6a]C[5]C)(CC[6a]HH)	112.6910	0.000	1	112.6910	0.000	1	111.7185	0.262	6	111.0527	3.321	7	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:3:2:	3:3:4:	4:4:	C[6]-4:C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:Si-4:	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCH)(OSi)	C[6a](C[6a]C[6a]H)2(CC[6]CO)	O(CC[6a]C[6]C)(SiC3)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCH)(OSi)	C[6a](C[6a]C[6a]H)2(CC[6]CO){1|C<3>,2|H<1>}	O(CC[6a]C[6]C)(SiC3)	107.0580	0.000	1	107.0580	0.000	1	107.0580	0.000	1	111.0527	3.321	7	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:3:2:	3:4:3:	4:1:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:C[6a]-3:	C-4:H-1:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OH)	C[6a](C[6a]C[6a,6a]O)(CC[6a]C[5]O)(C[6a]C[6a]H)	O(CC[6a]2C[5])(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OH)	C[6a](C[6a]C[6a,6a]O)(CC[6a]C[5]O)(C[6a]C[6a]H){1|O<2>,2|C<3>}	O(CC[6a]2C[5])(H)	107.8465	1.484	4	107.8465	2.202	4	107.8465	2.202	4	107.8465	2.202	4	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:3:2:	4:3:3:	4:1:	C[3]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:H-1:	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[3]O)(C[6a]C[6a]H)2	O(CC[6a]2C[3])(H)	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[3]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	O(CC[6a]2C[3])(H)	108.9645	1.780	12	108.9645	3.167	12	108.4952	3.462	16	108.3687	5.743	291	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:3:2:	4:3:3:	4:1:	C[3]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:H-1:	C(C[3]C[3]O[3]C)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[3]O)(C[6a]C[6a]H)2	O(CC[6a]2C[3])(H)	C(C[3]C[3]O[3]C)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[3]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	O(CC[6a]2C[3])(H)	107.0872	1.475	4	107.0872	2.174	4	108.4952	3.462	16	108.3687	5.743	291	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:3:2:	4:3:3:	4:1:	C[3x6]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:H-1:	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)2(OH)	C[6a](CC[3x6]C[6a]O)(C[6a]C[6a]H)2	O(CC[3x6]C[6a]2)(H)	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)2(OH)	C[6a](CC[3x6]C[6a]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	O(CC[3x6]C[6a]2)(H)	106.0760	0.112	2	106.0760	0.012	2	106.0760	0.012	2	108.3687	5.743	291	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:3:2:	4:3:3:	4:1:	C[4]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:H-1:	C(C[4]C[4]N[4]H)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[4]O)(C[6a]C[6a]H)2	O(CC[6a]2C[4])(H)	C(C[4]C[4]N[4]H)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[4]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	O(CC[6a]2C[4])(H)	109.7458	1.785	4	109.7458	3.186	4	108.9146	3.022	12	108.3687	5.743	291	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:3:2:	4:3:3:	4:1:	C[4]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:H-1:	C(C[4]C[4]S[4]H)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[4]O)(C[6a]C[6a]H)2	O(CC[6a]2C[4])(H)	C(C[4]C[4]S[4]H)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[4]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	O(CC[6a]2C[4])(H)	108.8392	1.702	6	108.8392	2.897	6	108.9146	3.022	12	108.3687	5.743	291	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:3:2:	4:3:3:	4:1:	C[4]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:H-1:	C(C[4]C[6a]C[4]N[4])(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[4]O)(C[6a]C[6a]H)2	O(CC[6a]2C[4])(H)	C(C[4]C[6a]C[4]N[4])(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[4]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	O(CC[6a]2C[4])(H)	107.4785	1.508	2	107.4785	2.275	2	108.9146	3.022	12	108.3687	5.743	291	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:3:2:	4:3:3:	4:1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:H-1:	C(C[5,5,6]C[5,5]C[5,6]2)(C[6a]C[6a]2)2(OH)	C[6a](CC[5,5,6]C[6a]O)(C[6a]C[6a]H)2	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[6a](CC[5,5,6]C[6a]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	O(CC[5,5,6]C[6a]2)(H)	106.0740	0.100	2	106.0740	0.010	2	106.0740	0.010	2	108.3687	5.743	291	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:3:2:	4:3:3:	4:1:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:H-1:	C(C[5]C[5,5]O[5]H)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	O(CC[6a]2C[5])(H)	C(C[5]C[5,5]O[5]H)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	O(CC[6a]2C[5])(H)	108.6665	3.678	2	108.6665	13.525	2	108.3430	6.256	231	108.3687	5.743	291	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:3:2:	4:3:3:	4:1:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:H-1:	C(C[5]C[5,6]C[5]Ru)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	O(CC[6a]2C[5])(H)	C(C[5]C[5,6]C[5]Ru)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	O(CC[6a]2C[5])(H)	107.3560	2.728	2	107.3560	7.442	2	108.3430	6.256	231	108.3687	5.743	291	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:3:2:	4:3:3:	4:1:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:H-1:	C(C[5]C[5]2Fe)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	O(CC[6a]2C[5])(H)	C(C[5]C[5]2Fe)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|C<4>}	O(CC[6a]2C[5])(H)	107.4640	2.581	2	107.7366	4.036	36	108.3430	6.256	231	108.3687	5.743	291	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:3:2:	4:3:3:	4:1:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:H-1:	C(C[5]C[5]2Fe)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	O(CC[6a]2C[5])(H)	C(C[5]C[5]2Fe)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	O(CC[6a]2C[5])(H)	107.7526	2.019	34	107.7366	4.036	36	108.3430	6.256	231	108.3687	5.743	291	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:3:2:	4:3:3:	4:1:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:H-1:	C(C[5]C[5]2Mn)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	O(CC[6a]2C[5])(H)	C(C[5]C[5]2Mn)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	O(CC[6a]2C[5])(H)	108.1090	0.747	2	108.1090	0.558	2	108.3430	6.256	231	108.3687	5.743	291	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:3:2:	4:3:3:	4:1:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:H-1:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	O(CC[6a]2C[5])(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	O(CC[6a]2C[5])(H)	108.5765	1.986	31	108.5765	3.945	31	108.3430	6.256	231	108.3687	5.743	291	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:3:2:	4:3:3:	4:1:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:H-1:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]F)2	O(CC[6a]2C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	O(CC[6a]2C[5])(H)	109.7677	4.146	12	109.7677	17.189	12	108.3430	6.256	231	108.3687	5.743	291	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:3:2:	4:3:3:	4:1:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:H-1:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	O(CC[6a]2C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	O(CC[6a]2C[5])(H)	110.5234	1.632	9	108.3418	6.456	144	108.3430	6.256	231	108.3687	5.743	291	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:3:2:	4:3:3:	4:1:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:H-1:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	O(CC[6a]2C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|C<4>}	O(CC[6a]2C[5])(H)	108.6285	2.336	8	108.3418	6.456	144	108.3430	6.256	231	108.3687	5.743	291	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:3:2:	4:3:3:	4:1:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:H-1:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	O(CC[6a]2C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	O(CC[6a]2C[5])(H)	108.1691	2.545	127	108.3418	6.456	144	108.3430	6.256	231	108.3687	5.743	291	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:3:2:	4:3:3:	4:1:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:H-1:	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	O(CC[6a]2C[5])(H)	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	O(CC[6a]2C[5])(H)	108.0780	1.929	2	108.0780	3.721	2	108.3430	6.256	231	108.3687	5.743	291	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:3:2:	4:3:3:	4:1:	C[6,6]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:H-1:	C(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)2(OH)	C[6a](CC[6,6]C[6a]O)(C[6a]C[6a]H)2	O(CC[6,6]C[6a]2)(H)	C(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)2(OH)	C[6a](CC[6,6]C[6a]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	O(CC[6,6]C[6a]2)(H)	108.0990	2.245	6	108.0990	5.042	6	108.0990	5.042	6	108.3687	5.743	291	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:3:2:	4:3:3:	4:1:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:H-1:	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2	O(CC[6a]2C[6])(H)	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	O(CC[6a]2C[6])(H)	108.5815	3.495	2	108.5815	12.217	2	108.7401	4.183	22	108.3687	5.743	291	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:3:2:	4:3:3:	4:1:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:H-1:	C(C[6]C[6]2Cr)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2	O(CC[6a]2C[6])(H)	C(C[6]C[6]2Cr)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	O(CC[6a]2C[6])(H)	108.9535	2.430	8	108.9535	5.904	8	108.7401	4.183	22	108.3687	5.743	291	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:3:2:	4:3:3:	4:1:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:H-1:	C(C[6]C[6]2Fe)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2	O(CC[6a]2C[6])(H)	C(C[6]C[6]2Fe)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	O(CC[6a]2C[6])(H)	107.9490	2.008	2	107.9490	4.033	2	108.7401	4.183	22	108.3687	5.743	291	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:3:2:	4:3:3:	4:1:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:H-1:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]C)(C[6a]C[6a]H)	O(CC[6a]2C[6])(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	O(CC[6a]2C[6])(H)	108.7120	0.870	4	108.7120	0.756	4	108.7401	4.183	22	108.3687	5.743	291	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:3:2:	4:3:3:	4:1:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:H-1:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2	O(CC[6a]2C[6])(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	O(CC[6a]2C[6])(H)	108.6305	2.087	4	108.6305	4.355	4	108.7401	4.183	22	108.3687	5.743	291	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:3:2:	4:3:3:	4:1:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:H-1:	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2	O(CC[6a]2C[6])(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	O(CC[6a]2C[6])(H)	109.1120	3.596	2	109.1120	12.934	2	108.7401	4.183	22	108.3687	5.743	291	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:3:2:	4:3:3:	4:3:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:P-3:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OP)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	O(CC[6a]2C[5])(PNO)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OP)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	O(CC[6a]2C[5])(PNO)	107.0478	2.208	12	107.0478	4.876	12	107.1787	4.098	16	107.1787	4.098	16	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:3:2:	4:3:3:	4:3:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:P-3:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OP)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	O(CC[6a]2C[5])(POO)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OP)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	O(CC[6a]2C[5])(POO)	107.5712	1.529	4	107.5712	2.336	4	107.1787	4.098	16	107.1787	4.098	16	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:3:2:	4:3:3:	4:4:	C[3]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C-4:	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)2(OC)	C[6a](CC[6a]C[3]O)(C[6a]C[6a]H)2	O(CC[6a]2C[3])(CH3)	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)2(OC)	C[6a](CC[6a]C[3]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	O(CC[6a]2C[3])(CH3)	106.7695	3.009	2	106.7695	9.053	2	106.7695	9.053	2	108.0366	4.440	101	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:3:2:	4:3:3:	4:4:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OC)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	O(CC[6a]2C[5])(CH3)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OC)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	O(CC[6a]2C[5])(CH3)	110.1630	0.970	2	110.1630	0.941	2	108.4982	6.160	13	108.0366	4.440	101	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:3:2:	4:3:3:	4:4:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OC)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	O(CC[6a]2C[5])(CH3)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OC)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	O(CC[6a]2C[5])(CH3)	108.1955	2.577	11	108.1955	6.642	11	108.4982	6.160	13	108.0366	4.440	101	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:3:2:	4:3:3:	4:4:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:P-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OP)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]F)2	O(CC[6a]2C[5])(PN[5]CoO)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OP)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	O(CC[6a]2C[5])(PN[5]CoO)	106.9650	1.274	4	106.9650	1.622	4	107.4096	4.512	54	108.0366	4.440	101	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:3:2:	4:3:3:	4:4:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:P-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OP)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]F)2	O(CC[6a]2C[5])(PN[5]RhO)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OP)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	O(CC[6a]2C[5])(PN[5]RhO)	107.8206	0.780	8	107.8206	0.609	8	107.4096	4.512	54	108.0366	4.440	101	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:3:2:	4:3:3:	4:4:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:P-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OP)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	O(CC[6a]2C[5])(PC[6a]PtO)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OP)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|C<4>}	O(CC[6a]2C[5])(PC[6a]PtO)	107.5823	2.498	16	107.5823	6.240	16	107.4096	4.512	54	108.0366	4.440	101	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:3:2:	4:3:3:	4:4:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:P-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OP)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	O(CC[6a]2C[5])(PFeNO)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OP)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	O(CC[6a]2C[5])(PFeNO)	107.3492	3.286	4	107.3492	10.795	4	107.4096	4.512	54	108.0366	4.440	101	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:3:2:	4:3:3:	4:4:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:P-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OP)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	O(CC[6a]2C[5])(PN[5]RhO)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OP)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|C<4>}	O(CC[6a]2C[5])(PN[5]RhO)	107.6527	2.625	4	107.7849	6.689	8	107.4096	4.512	54	108.0366	4.440	101	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:3:2:	4:3:3:	4:4:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:P-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OP)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	O(CC[6a]2C[5])(PN[5]RhO)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OP)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	O(CC[6a]2C[5])(PN[5]RhO)	107.9170	2.944	4	107.7849	6.689	8	107.4096	4.512	54	108.0366	4.440	101	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:3:2:	4:3:3:	4:4:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:P-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OP)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	O(CC[6a]2C[5])(PN[6]PdO)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OP)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|C<4>}	O(CC[6a]2C[5])(PN[6]PdO)	105.6920	2.489	2	105.6920	6.195	2	107.4096	4.512	54	108.0366	4.440	101	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:3:2:	4:3:3:	4:4:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:P-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OP)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	O(CC[6a]2C[5])(PPdOO)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OP)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	O(CC[6a]2C[5])(PPdOO)	106.7078	1.576	8	106.7078	2.484	8	107.4096	4.512	54	108.0366	4.440	101	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:3:2:	4:3:3:	4:4:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:P-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OP)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	O(CC[6a]2C[5])(PRhNO)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OP)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	O(CC[6a]2C[5])(PRhNO)	107.9135	2.515	4	107.9135	6.326	4	107.4096	4.512	54	108.0366	4.440	101	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:3:2:	4:3:3:	4:4:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:S-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OS)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	O(CC[6a]2C[5])(SC3)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OS)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	O(CC[6a]2C[5])(SC3)	109.2245	0.855	2	109.2245	0.731	2	109.2245	0.731	2	108.0366	4.440	101	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:3:2:	4:3:3:	4:4:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:Si-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OSi)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	O(CC[6a]2C[5])(SiC3)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OSi)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|C<4>}	O(CC[6a]2C[5])(SiC3)	108.1525	1.381	6	108.4891	2.314	10	108.6216	2.346	12	108.0366	4.440	101	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:3:2:	4:3:3:	4:4:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:Si-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OSi)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	O(CC[6a]2C[5])(SiC3)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OSi)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	O(CC[6a]2C[5])(SiC3)	108.9940	1.788	4	108.4891	2.314	10	108.6216	2.346	12	108.0366	4.440	101	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:3:2:	4:3:3:	4:4:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:Si-4:	C(C[5]N[5,5]C[5]H)(C[6a]C[6a]2)2(OSi)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	O(CC[6a]2C[5])(SiC3)	C(C[5]N[5,5]C[5]H)(C[6a]C[6a]2)2(OSi)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	O(CC[6a]2C[5])(SiC3)	109.2840	1.981	2	109.2840	3.926	2	108.6216	2.346	12	108.0366	4.440	101	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:3:2:	4:3:3:	4:4:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(OC)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2	O(CC[6a]2C[6])(CH3)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(OC)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	O(CC[6a]2C[6])(CH3)	109.3905	1.549	2	109.3905	2.400	2	109.3905	2.400	2	108.0366	4.440	101	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:3:2:	4:3:3:	4:4:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:Si-4:	C(C[6]C[6,6a]C[6]C)(C[6a]C[6a]2)2(OSi)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2	O(CC[6a]2C[6])(SiC3)	C(C[6]C[6,6a]C[6]C)(C[6a]C[6a]2)2(OSi)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	O(CC[6a]2C[6])(SiC3)	108.8770	0.106	2	108.8770	0.011	2	109.1796	2.286	16	108.0366	4.440	101	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:3:2:	4:3:3:	4:4:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:Si-4:	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)2(OSi)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]C)(C[6a]C[6a]H)	O(CC[6a]2C[6])(SiC3)	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)2(OSi)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	O(CC[6a]2C[6])(SiC3)	110.6840	1.435	4	110.6840	2.059	4	109.1796	2.286	16	108.0366	4.440	101	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:3:2:	4:3:3:	4:4:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:Si-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(OSi)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2	O(CC[6a]2C[6])(SiC3)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(OSi)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	O(CC[6a]2C[6])(SiC3)	108.6432	1.068	6	108.6432	1.140	6	109.1796	2.286	16	108.0366	4.440	101	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:3:2:	4:3:3:	4:4:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:Si-4:	C(C[6]C[6]O[6]N)(C[6a]C[6a]2)2(OSi)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2	O(CC[6a]2C[6])(SiC3)	C(C[6]C[6]O[6]N)(C[6a]C[6a]2)2(OSi)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	O(CC[6a]2C[6])(SiC3)	107.1565	0.675	2	107.1565	0.456	2	109.1796	2.286	16	108.0366	4.440	101	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:3:2:	4:3:3:	4:4:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:Si-4:	C(C[6]N[5,6]C[6]H)(C[6a]C[6a]2)2(OSi)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2	O(CC[6a]2C[6])(SiC3)	C(C[6]N[5,6]C[6]H)(C[6a]C[6a]2)2(OSi)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	O(CC[6a]2C[6])(SiC3)	110.1060	1.038	2	110.1060	1.078	2	109.1796	2.286	16	108.0366	4.440	101	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:4:2:	3:3:4:	4:1:	C[3]-4:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[3]C[3,5]C[3]H)(C[6a]C[6a]2)(CH3)(OH)	C[6a](C[6a]C[6a]H)2(CC[3]CO)	O(CC[6a]C[3]C)(H)	C(C[3]C[3,5]C[3]H)(C[6a]C[6a]2)(CH3)(OH)	C[6a](C[6a]C[6a]H)2(CC[3]CO){1|C<3>,2|H<1>}	O(CC[6a]C[3]C)(H)	108.2830	0.000	1	108.2830	0.000	1	108.2830	0.000	1	109.3271	3.593	15	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:4:2:	3:3:4:	4:1:	C[3]-4:C[6a]-3:P-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)(PO3)(OH)	C[6a](C[6a]C[6a]H)2(CC[3]OP)	O(CC[6a]C[3]P)(H)	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)(PO3)(OH)	C[6a](C[6a]C[6a]H)2(CC[3]OP){1|C<3>,2|H<1>}	O(CC[6a]C[3]P)(H)	111.1010	0.000	1	111.1010	0.000	1	111.1010	0.000	1	109.3271	3.593	15	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:4:2:	3:3:4:	4:1:	C[5]-4:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(CCCH)(OH)	C[6a](C[6a]C[6a]H)2(CC[5]CO)	O(CC[6a]C[5]C)(H)	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(CCCH)(OH)	C[6a](C[6a]C[6a]H)2(CC[5]CO){1|C<3>,2|H<1>}	O(CC[6a]C[5]C)(H)	110.3085	0.013	2	110.3085	0.000	2	110.1357	2.658	9	109.3271	3.593	15	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:4:2:	3:3:4:	4:1:	C[5]-4:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(CCHH)(OH)	C[6a](C[6a]C[6a]H)2(CC[5]CO)	O(CC[6a]C[5]C)(H)	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(CCHH)(OH)	C[6a](C[6a]C[6a]H)2(CC[5]CO){1|C<3>,2|H<1>}	O(CC[6a]C[5]C)(H)	106.5880	0.000	1	106.5880	0.000	1	110.1357	2.658	9	109.3271	3.593	15	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:4:2:	3:3:4:	4:1:	C[5]-4:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[5]C[5]2Ru)(C[6a]C[6a]2)(CCHH)(OH)	C[6a](C[6a]C[6a]H)2(CC[5]CO)	O(CC[6a]C[5]C)(H)	C(C[5]C[5]2Ru)(C[6a]C[6a]2)(CCHH)(OH)	C[6a](C[6a]C[6a]H)2(CC[5]CO){1|C<3>,2|H<1>}	O(CC[6a]C[5]C)(H)	111.4600	0.000	1	111.4600	0.000	1	110.1357	2.658	9	109.3271	3.593	15	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:4:2:	3:3:4:	4:1:	C[5]-4:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CBrHH)(OH)	C[6a](C[6a]C[6a]H)2(CC[5]CO)	O(CC[6a]C[5]C)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CBrHH)(OH)	C[6a](C[6a]C[6a]H)2(CC[5]CO){1|C<3>,2|H<1>}	O(CC[6a]C[5]C)(H)	111.9970	0.000	1	111.9970	0.000	1	110.1357	2.658	9	109.3271	3.593	15	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:4:2:	3:3:4:	4:1:	C[5]-4:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CCFF)(OH)	C[6a](C[6a]C[6a]H)2(CC[5]CO)	O(CC[6a]C[5]C)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CCFF)(OH)	C[6a](C[6a]C[6a]H)2(CC[5]CO){1|C<3>,2|H<1>}	O(CC[6a]C[5]C)(H)	108.5440	0.000	1	108.5440	0.000	1	110.1357	2.658	9	109.3271	3.593	15	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:4:2:	3:3:4:	4:1:	C[5]-4:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CH3)(OH)	C[6a](C[6a]C[6a]H)2(CC[5]CO)	O(CC[6a]C[5]C)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CH3)(OH)	C[6a](C[6a]C[6a]H)2(CC[5]CO){1|C<3>,2|H<1>}	O(CC[6a]C[5]C)(H)	110.6950	0.000	1	110.6950	0.000	1	110.1357	2.658	9	109.3271	3.593	15	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:4:2:	3:3:4:	4:1:	C[5]-4:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CH3)(OH)	C[6a](C[6a]C[6a]H)2(CC[5]CO)	O(CC[6a]C[5]C)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CH3)(OH)	C[6a](C[6a]C[6a]H)2(CC[5]CO){1|C<3>,2|H<1>}	O(CC[6a]C[5]C)(H)	110.6600	0.010	2	110.6600	0.000	2	110.1357	2.658	9	109.3271	3.593	15	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:4:2:	3:3:4:	4:1:	C[5]-4:C[6a]-3:P-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(PO3)(OH)	C[6a](C[6a]C[6a]H)2(CC[5]OP)	O(CC[6a]C[5]P)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(PO3)(OH)	C[6a](C[6a]C[6a]H)2(CC[5]OP){1|C<3>,2|H<1>}	O(CC[6a]C[5]P)(H)	108.0810	0.000	1	108.0810	0.000	1	108.0810	0.000	1	109.3271	3.593	15	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:4:2:	3:3:4:	4:1:	C[6]-4:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CH3)(OH)	C[6a](C[6a]C[6a]H)2(CC[6]CO)	O(CC[6a]C[6]C)(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CH3)(OH)	C[6a](C[6a]C[6a]H)2(CC[6]CO){1|C<3>,2|H<1>}	O(CC[6a]C[6]C)(H)	107.0733	1.032	3	107.0733	1.066	3	107.0733	1.066	3	109.3271	3.593	15	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:4:2:	3:3:4:	4:4:	C[5,6]-4:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)(CH3)(OC)	C[6a](C[6a]C[6a]H)2(CC[5,6]CO)	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[6a](C[6a]C[6a]H)2(CC[5,6]CO){1|C<3>,2|H<1>}	O(CC[5,6]C[6a]C)(CC[5,6]HH)	109.8330	0.994	2	109.8330	0.988	2	109.8330	0.988	2	110.4857	1.772	3	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:3:4:2:	3:3:4:	4:4:	C[6]-4:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6]C[3x6]O[6]H)(C[6a]C[6a]2)(CHHI)(OC)	C[6a](C[6a]C[6a]H)2(CC[6]CO)	O(CC[6a]C[6]C)(CH3)	C(C[6]C[3x6]O[6]H)(C[6a]C[6a]2)(CHHI)(OC)	C[6a](C[6a]C[6a]H)2(CC[6]CO){1|C<3>,2|H<1>}	O(CC[6a]C[6]C)(CH3)	111.7910	0.000	1	111.7910	0.000	1	111.7910	0.000	1	110.4857	1.772	3	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:4:3:2:	3:3:4:	4:1:	C[3x6]-4:C[3x6]-4:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[3x6]C[6,6]3)2(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[3x6]2O)	O(CC[3x6]2C[6a])(H)	C(C[3x6]C[6,6]3)2(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[3x6]2O){1|C<3>,1|C<4>,1|H<1>}	O(CC[3x6]2C[6a])(H)	103.4010	0.000	1	103.4010	0.000	1	103.4010	0.000	1	106.4990	9.249	3	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:4:3:2:	3:3:4:	4:1:	C[6]-4:C[6]-4:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6]C[6]2Cr)2(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]H)2(CC[6]2O)	O(CC[6a]C[6]2)(H)	C(C[6]C[6]2Cr)2(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]H)2(CC[6]2O){1|C<3>,2|H<1>}	O(CC[6a]C[6]2)(H)	108.0480	2.025	2	108.0480	4.101	2	108.0480	4.101	2	106.4990	9.249	3	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	4:4:3:2:	3:3:4:	4:4:	C[5]-4:C[6]-4:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:P-4:	C(C[5]C[5]O[5]H)(C[6]C[6]2Pd)(C[6a]C[6a]2)(OP)	C[6a](C[6a]C[6a]H)2(CC[5]C[6]O)	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[6a](C[6a]C[6a]H)2(CC[5]C[6]O){1|C<3>,2|C<4>}	O(CC[6a]C[5]C[6])(PN[6]PdO)	104.3590	0.000	1	104.3590	0.000	1	104.3590	0.000	1	104.3590	0.000	1	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	5:3:2:1:	4:3:2:	4:1:	C[3x3,4,3x5,14x6]-5:C[6a]-3:O-2:H-1:	C-4:C[6a]-3:N[6a]-2:	C-4:H-1:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]N[6a])(OH)(H)	C[6a](CC[3x3,4,3x5,14x6]HO)(C[6a]C[6a]H)(N[6a]C[6a])	O(CC[3x3,4,3x5,14x6]C[6a]H)(H)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]N[6a])(OH)(H)	C[6a](CC[3x3,4,3x5,14x6]HO)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	O(CC[3x3,4,3x5,14x6]C[6a]H)(H)	111.4580	1.062	4	111.4580	1.129	4	111.4580	1.129	4	111.4580	1.129	4	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	5:3:2:1:	4:3:3:	4:1:	C[3x3,4,3x5,14x6]-5:C[6a]-3:O-2:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:H-1:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]2)(OH)(H)	C[6a](CC[3x3,4,3x5,14x6]HO)(C[6a]C[6a]H)2	O(CC[3x3,4,3x5,14x6]C[6a]H)(H)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]2)(OH)(H)	C[6a](CC[3x3,4,3x5,14x6]HO)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	O(CC[3x3,4,3x5,14x6]C[6a]H)(H)	112.3470	0.000	1	112.3470	0.000	1	112.3470	0.000	1	112.3470	0.000	1	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	5:3:2:1:	4:3:3:	4:4:	C[3,3,5,4x6]-5:C[6a]-3:O-2:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:Si-4:	C(C[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]Fe)(C[6a]C[6a]2)(OSi)(H)	C[6a](CC[3,3,5,4x6]HO)(C[6a]C[6a]H)2	O(CC[3,3,5,4x6]C[6a]H)(SiC3)	C(C[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]Fe)(C[6a]C[6a]2)(OSi)(H)	C[6a](CC[3,3,5,4x6]HO)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	O(CC[3,3,5,4x6]C[6a]H)(SiC3)	111.2340	0.000	1	111.2340	0.000	1	111.2340	0.000	1	111.2340	0.000	1	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	6:3:2:1:	3:4:3:	4:1:	C[5x3,5x5,20x6]-6:C[6a]-3:O-2:H-1:	C[6a,6a]-3:C-4:C[6a]-3:	C-4:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a,6a]C[6a])(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[5x3,5x5,20x6]HO)(C[6a]C[6a]H)	O(CC[5x3,5x5,20x6]C[6a]H)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a,6a]C[6a])(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[5x3,5x5,20x6]HO)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	O(CC[5x3,5x5,20x6]C[6a]H)(H)	112.5210	0.000	1	112.5210	0.000	1	112.5210	0.000	1	112.5210	0.000	1	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	6:3:2:1:	4:2:3:	4:1:	C[5x3,5x5,20x6]-6:C[6a]-3:O-2:H-1:	C-4:N[6a]-2:C[6a]-3:	C-4:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]N[6a])(OH)(H)	C[6a](CC[5x3,5x5,20x6]HO)(N[6a]C[6a,6a])(C[6a]C[6a]H)	O(CC[5x3,5x5,20x6]C[6a]H)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]N[6a])(OH)(H)	C[6a](CC[5x3,5x5,20x6]HO)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,2|C<3>}	O(CC[5x3,5x5,20x6]C[6a]H)(H)	110.7600	0.627	3	110.7600	0.393	3	110.7600	0.393	3	110.7600	0.393	3	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	6:3:2:1:	4:3:2:	4:1:	C[5x3,5x5,20x6]-6:C[6a]-3:O-2:H-1:	C-4:C[6a]-3:N[6a]-2:	C-4:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]N[6a])(OH)(H)	C[6a](CC[5x3,5x5,20x6]HO)(C[6a]C[6a]H)(N[6a]C[6a])	O(CC[5x3,5x5,20x6]C[6a]H)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]N[6a])(OH)(H)	C[6a](CC[5x3,5x5,20x6]HO)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	O(CC[5x3,5x5,20x6]C[6a]H)(H)	111.3070	0.000	1	110.1396	2.831	5	110.2519	1.195	12	110.2519	1.195	12	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	6:3:2:1:	4:3:2:	4:1:	C[5x3,5x5,20x6]-6:C[6a]-3:O-2:H-1:	C-4:C[6a]-3:N[6a]-2:	C-4:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]N[6a])(OH)(H)	C[6a](CC[5x3,5x5,20x6]HO)(C[6a]C[6a]H)(N[6a]C[6a])	O(CC[5x3,5x5,20x6]C[6a]H)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]N[6a])(OH)(H)	C[6a](CC[5x3,5x5,20x6]HO)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	O(CC[5x3,5x5,20x6]C[6a]H)(H)	109.8478	1.791	4	110.1396	2.831	5	110.2519	1.195	12	110.2519	1.195	12	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	6:3:2:1:	4:3:2:	4:1:	C[5x3,5x5,20x6]-6:C[6a]-3:O-2:H-1:	C-4:C[6a]-3:N[6a]-2:	C-4:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]N[6a])(OH)(H)	C[6a](CC[5x3,5x5,20x6]HO)(C[6a]C[6a]H)(N[6a]C[6a])	O(CC[5x3,5x5,20x6]C[6a]H)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]N[6a])(OH)(H)	C[6a](CC[5x3,5x5,20x6]HO)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	O(CC[5x3,5x5,20x6]C[6a]H)(H)	110.3321	0.535	7	110.3321	0.286	7	110.2519	1.195	12	110.2519	1.195	12	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	6:3:2:1:	4:3:3:	4:1:	C[5x3,5x5,20x6]-6:C[6a]-3:O-2:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(OH)(H)	C[6a](CC[5x3,5x5,20x6]HO)(C[6a]C[6a]H)(C[6a]N[6a]H)	O(CC[5x3,5x5,20x6]C[6a]H)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(OH)(H)	C[6a](CC[5x3,5x5,20x6]HO)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|H<1>}	O(CC[5x3,5x5,20x6]C[6a]H)(H)	109.4415	0.964	2	109.4415	0.929	2	110.6088	2.418	5	110.6088	2.418	5	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	6:3:2:1:	4:3:3:	4:1:	C[5x3,5x5,20x6]-6:C[6a]-3:O-2:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(OH)(H)	C[6a](CC[5x3,5x5,20x6]HO)(C[6a]C[6a]H)2	O(CC[5x3,5x5,20x6]C[6a]H)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(OH)(H)	C[6a](CC[5x3,5x5,20x6]HO)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	O(CC[5x3,5x5,20x6]C[6a]H)(H)	112.2225	0.108	2	111.3870	2.100	3	110.6088	2.418	5	110.6088	2.418	5	109.8727	6.260	5312	109.8727	6.260	5312
490	643	893	0:SP3_SP2_SP3	C	C[6a]	O	6:3:2:1:	4:3:3:	4:1:	C[5x3,5x5,20x6]-6:C[6a]-3:O-2:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(OH)(H)	C[6a](CC[5x3,5x5,20x6]HO)(C[6a]C[6a]H)2	O(CC[5x3,5x5,20x6]C[6a]H)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(OH)(H)	C[6a](CC[5x3,5x5,20x6]HO)(C[6a]C[6a]H)2{1|N<2>,2|H<1>}	O(CC[5x3,5x5,20x6]C[6a]H)(H)	109.7160	0.000	1	111.3870	2.100	3	110.6088	2.418	5	110.6088	2.418	5	109.8727	6.260	5312	109.8727	6.260	5312