466	490	643	0:SP3_SP2_SP3	C[3x6]	C	C[6,6,6a]	3:3:2:4:	4:1:1:1:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]N[5,6,6])(CH3)	C(C[3x6]C[6,6,6a]2O[6,6])(H)3	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]N[5,6,6])(CH3){1|C<4>,2|H<1>,5|C<3>}	C(C[3x6]C[6,6,6a]2O[6,6])(H)3	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	116.2145	0.240	2	116.2145	0.057	2	116.2017	0.119	6	116.2017	0.119	6	114.0757	2.992	227	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[3x6]	C	C[6,6,6a]	3:3:2:4:	4:1:1:1:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]N[6,6])(CH3)	C(C[3x6]C[6,6,6a]2O[6,6])(H)3	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]N[6,6])(CH3){1|C<4>,2|H<1>,5|C<3>}	C(C[3x6]C[6,6,6a]2O[6,6])(H)3	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	116.1505	0.015	2	116.1505	0.000	2	116.2017	0.119	6	116.2017	0.119	6	114.0757	2.992	227	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[3x6]	C	C[6,6,6a]	3:3:2:4:	4:1:1:1:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(CH3)	C(C[3x6]C[6,6,6a]2O[6,6])(H)3	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(CH3){1|C<4>,2|H<1>,4|C<3>}	C(C[3x6]C[6,6,6a]2O[6,6])(H)3	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	116.2400	0.725	2	116.2400	0.526	2	116.2017	0.119	6	116.2017	0.119	6	114.0757	2.992	227	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[3x6]	C	C[6,6,6a]	3:3:2:4:	4:3:1:1:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:O[6,6]-2:C-4:	C[3x6]-4:N-3:H-1:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(CHHN)	C(C[3x6]C[6,6,6a]2O[6,6])(NCH)(H)2	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(CHHN){1|C<4>,2|H<1>,4|C<3>}	C(C[3x6]C[6,6,6a]2O[6,6])(NCH)(H)2	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	115.7512	2.098	8	115.7512	4.400	8	115.7512	4.400	8	115.7512	4.400	8	114.0757	2.992	227	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[3x6]	C	C[6,6,6a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CH3)	C(C[3x6]C[6,6,6a]3)(H)3	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]Cl)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CH3){1|Cl<1>,1|C<4>,2|H<1>,6|C<3>}	C(C[3x6]C[6,6,6a]3)(H)3	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]Cl){1|Cl<1>,1|C<4>,1|H<1>,5|C<3>}	118.9489	0.087	7	118.9489	0.007	7	113.7093	4.096	101	113.7171	4.062	102	114.0757	2.992	227	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[3x6]	C	C[6,6,6a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CH3)	C(C[3x6]C[6,6,6a]3)(H)3	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CH3){1|C<4>,3|H<1>,6|C<3>}	C(C[3x6]C[6,6,6a]3)(H)3	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	113.8854	1.216	47	113.3191	2.184	94	113.7093	4.096	101	113.7171	4.062	102	114.0757	2.992	227	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[3x6]	C	C[6,6,6a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CH3)	C(C[3x6]C[6,6,6a]3)(H)3	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CH3){1|C<4>,3|H<1>,6|C<3>}	C(C[3x6]C[6,6,6a]3)(H)3	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	113.4445	1.423	31	113.3191	2.184	94	113.7093	4.096	101	113.7171	4.062	102	114.0757	2.992	227	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[3x6]	C	C[6,6,6a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CH3)	C(C[3x6]C[6,6,6a]3)(H)3	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CH3){1|Cl<1>,1|C<4>,2|H<1>,6|C<3>}	C(C[3x6]C[6,6,6a]3)(H)3	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	111.4125	0.207	16	113.3191	2.184	94	113.7093	4.096	101	113.7171	4.062	102	114.0757	2.992	227	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[3x6]	C	C[6,6,6a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)2(CH3)	C(C[3x6]C[6,6,6a]C[6,6]2)(H)3	C[6,6,6a](C[6,6,6a]B[3x6]C[6a])(C[3x6]C[6,6]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)2(CH3){1|B<4>,2|C<3>,3|H<1>}	C(C[3x6]C[6,6,6a]C[6,6]2)(H)3	C[6,6,6a](C[6,6,6a]B[3x6]C[6a])(C[3x6]C[6,6]2C)(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	114.5020	0.000	1	114.5020	0.000	1	114.5020	0.000	1	113.7171	4.062	102	114.0757	2.992	227	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[3x6]	C	C[6,6,6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6])(CH3)	C(C[3x6]C[6,6,6a]2C[3x6])(H)3	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6])(CH3){1|C<4>,3|H<1>,6|C<3>}	C(C[3x6]C[6,6,6a]2C[3x6])(H)3	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	114.0172	0.787	6	114.0161	0.444	8	114.0161	0.444	8	113.8575	1.003	20	114.0757	2.992	227	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[3x6]	C	C[6,6,6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6])(CH3)	C(C[3x6]C[6,6,6a]2C[3x6])(H)3	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6])(CH3){1|C<4>,3|H<1>,6|C<3>}	C(C[3x6]C[6,6,6a]2C[3x6])(H)3	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	114.0130	0.106	2	114.0161	0.444	8	114.0161	0.444	8	113.8575	1.003	20	114.0757	2.992	227	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[3x6]	C	C[6,6,6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]H)(CH3)	C(C[3x6]C[6,6,6a]2C[6,6])(H)3	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]H)(CH3){2|C<4>,2|H<1>,4|C<3>}	C(C[3x6]C[6,6,6a]2C[6,6])(H)3	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	114.7775	0.163	2	114.7775	0.027	2	113.6827	0.770	10	113.8575	1.003	20	114.0757	2.992	227	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[3x6]	C	C[6,6,6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(CH3)	C(C[3x6]C[6,6,6a]2C[6,6])(H)3	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(CH3){1|C<4>,1|P<4>,2|H<1>,6|C<3>}	C(C[3x6]C[6,6,6a]2C[6,6])(H)3	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	113.4090	0.747	8	113.4090	0.558	8	113.6827	0.770	10	113.8575	1.003	20	114.0757	2.992	227	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[3x6]	C	C[6,6,6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:N[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[6,6]O[6,6]C)(CH3)	C(C[3x6]C[6,6,6a]2N[6,6])(H)3	C[6,6,6a](C[3x6]C[6,6,6a]N[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[6,6]O[6,6]C)(CH3){1|C<4>,2|H<1>,4|C<3>}	C(C[3x6]C[6,6,6a]2N[6,6])(H)3	C[6,6,6a](C[3x6]C[6,6,6a]N[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	114.0965	2.898	2	114.0965	8.401	2	114.0965	8.401	2	113.8575	1.003	20	114.0757	2.992	227	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[3x6]	C	C[6,6,6a]	3:3:3:4:	4:2:1:1:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-4:	C[3x6]-4:O-2:H-1:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CHHO)	C(C[3x6]C[6,6,6a]3)(OC)(H)2	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CHHO){1|C<4>,3|H<1>,6|C<3>}	C(C[3x6]C[6,6,6a]3)(OC)(H)2	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	113.7955	1.310	6	113.7955	1.716	6	113.7955	1.716	6	113.7955	1.716	6	114.0757	2.992	227	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[3x6]	C	C[6,6,6a]	3:3:3:4:	4:2:1:1:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:C-4:	C[3x6]-4:O-2:H-1:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(CHHO)	C(C[3x6]C[6,6,6a]2C[6,6])(OC)(H)2	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(CHHO){1|C<4>,2|H<1>,5|C<3>}	C(C[3x6]C[6,6,6a]2C[6,6])(OC)(H)2	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	113.0160	3.485	2	113.0160	12.143	2	113.0160	12.143	2	113.0160	12.143	2	114.0757	2.992	227	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[3x6]	C	C[6,6,6a]	3:3:3:4:	4:3:1:1:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-4:	C[3x6]-4:C[6a]-3:H-1:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CC[6a]HH)	C(C[3x6]C[6,6,6a]3)(C[6a]C[6a]2)(H)2	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]Br)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CC[6a]HH){1|Br<1>,1|H<1>,2|C<4>,6|C<3>}	C(C[3x6]C[6,6,6a]3)(C[6a]C[6a]2)(H)2	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]Br){3|H<1>,5|C<3>}	116.0330	0.000	1	116.0330	0.000	1	114.0239	3.540	9	114.0239	3.540	9	114.0757	2.992	227	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[3x6]	C	C[6,6,6a]	3:3:3:4:	4:3:1:1:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-4:	C[3x6]-4:C[6a]-3:H-1:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CC[6a]HH)	C(C[3x6]C[6,6,6a]3)(C[6a]C[6a]2)(H)2	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]C)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CC[6a]HH){1|Br<1>,1|H<1>,2|C<4>,6|C<3>}	C(C[3x6]C[6,6,6a]3)(C[6a]C[6a]2)(H)2	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]C){1|C<4>,2|H<1>,5|C<3>}	114.9970	0.000	1	114.9970	0.000	1	114.0239	3.540	9	114.0239	3.540	9	114.0757	2.992	227	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[3x6]	C	C[6,6,6a]	3:3:3:4:	4:3:1:1:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-4:	C[3x6]-4:C[6a]-3:H-1:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CC[6a]HH)	C(C[3x6]C[6,6,6a]3)(C[6a]C[6a]2)(H)2	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CC[6a]HH){1|Br<1>,1|H<1>,2|C<4>,6|C<3>}	C(C[3x6]C[6,6,6a]3)(C[6a]C[6a]2)(H)2	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){3|H<1>,5|C<3>}	109.8930	0.000	1	113.4943	4.322	6	114.0239	3.540	9	114.0239	3.540	9	114.0757	2.992	227	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[3x6]	C	C[6,6,6a]	3:3:3:4:	4:3:1:1:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-4:	C[3x6]-4:C[6a]-3:H-1:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CC[6a]HH)	C(C[3x6]C[6,6,6a]3)(C[6a]C[6a]2)(H)2	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CC[6a]HH){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C(C[3x6]C[6,6,6a]3)(C[6a]C[6a]2)(H)2	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){3|H<1>,5|C<3>}	114.5005	0.630	2	113.4943	4.322	6	114.0239	3.540	9	114.0239	3.540	9	114.0757	2.992	227	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[3x6]	C	C[6,6,6a]	3:3:3:4:	4:3:1:1:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-4:	C[3x6]-4:C[6a]-3:H-1:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CC[6a]HH)	C(C[3x6]C[6,6,6a]3)(C[6a]C[6a]2)(H)2	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CC[6a]HH){1|C<4>,3|H<1>,6|C<3>}	C(C[3x6]C[6,6,6a]3)(C[6a]C[6a]2)(H)2	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){3|H<1>,5|C<3>}	114.0240	1.640	3	113.4943	4.322	6	114.0239	3.540	9	114.0239	3.540	9	114.0757	2.992	227	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[3x6]	C	C[6,6,6a]	3:3:3:4:	4:3:1:1:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-4:	C[3x6]-4:C[6a]-3:H-1:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CC[6a]HH)	C(C[3x6]C[6,6,6a]3)(C[6a]C[6a]2)(H)2	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CC[6a]HH){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C(C[3x6]C[6,6,6a]3)(C[6a]C[6a]2)(H)2	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]O){1|O<2>,2|H<1>,5|C<3>}	114.2190	0.000	1	114.2190	0.000	1	114.0239	3.540	9	114.0239	3.540	9	114.0757	2.992	227	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[3x6]	C	C[6,6,6a]	3:3:3:4:	4:4:1:1:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-4:	C[3x6]-4:C-4:H-1:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CCHH)	C(C[3x6]C[6,6,6a]3)(CCHH)(H)2	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CCHH){1|C<4>,3|H<1>,6|C<3>}	C(C[3x6]C[6,6,6a]3)(CCHH)(H)2	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,5|C<3>}	114.4650	1.022	6	114.3943	1.347	12	114.3943	1.347	12	114.3943	1.347	12	114.0757	2.992	227	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[3x6]	C	C[6,6,6a]	3:3:3:4:	4:4:1:1:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-4:	C[3x6]-4:C-4:H-1:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CCHH)	C(C[3x6]C[6,6,6a]3)(CCHH)(H)2	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CCHH){1|C<4>,3|H<1>,6|C<3>}	C(C[3x6]C[6,6,6a]3)(CCHH)(H)2	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	114.2130	1.982	3	114.3943	1.347	12	114.3943	1.347	12	114.3943	1.347	12	114.0757	2.992	227	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[3x6]	C	C[6,6,6a]	3:3:3:4:	4:4:1:1:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-4:	C[3x6]-4:C-4:H-1:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CCHH)	C(C[3x6]C[6,6,6a]3)(CCHH)(H)2	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CCHH){1|C<4>,3|H<1>,6|C<3>}	C(C[3x6]C[6,6,6a]3)(CCHH)(H)2	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	114.4343	0.895	3	114.3943	1.347	12	114.3943	1.347	12	114.3943	1.347	12	114.0757	2.992	227	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[3x6]	C	C[6,6,6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CH3)	C(C[3x6]C[6,6,6a]2C[5,6,6])(H)3	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CH3){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C(C[3x6]C[6,6,6a]2C[5,6,6])(H)3	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	113.9963	0.746	4	113.9963	0.557	4	113.9963	0.557	4	114.0425	0.240	22	114.0757	2.992	227	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[3x6]	C	C[6,6,6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5x6]HH)(CH3)	C(C[3x6]C[6,6,6a]2C[6,6])(H)3	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[5x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5x6]HH)(CH3){1|C<4>,2|H<1>,6|C<3>}	C(C[3x6]C[6,6,6a]2C[6,6])(H)3	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[5x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	114.1350	0.066	2	114.1350	0.004	2	114.0528	0.198	18	114.0425	0.240	22	114.0757	2.992	227	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[3x6]	C	C[6,6,6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(CH3)	C(C[3x6]C[6,6,6a]2C[6,6])(H)3	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[5,6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(CH3){1|C<4>,4|C<3>,4|H<1>}	C(C[3x6]C[6,6,6a]2C[6,6])(H)3	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[5,6a]H){2|C<4>,3|H<1>,4|C<3>}	114.0463	0.457	12	114.0463	0.209	12	114.0528	0.198	18	114.0425	0.240	22	114.0757	2.992	227	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[3x6]	C	C[6,6,6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(CH3)	C(C[3x6]C[6,6,6a]2C[6,6])(H)3	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6,6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(CH3){1|C<4>,4|C<3>,4|H<1>}	C(C[3x6]C[6,6,6a]2C[6,6])(H)3	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6,6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	113.7895	0.894	2	113.7895	0.800	2	114.0528	0.198	18	114.0425	0.240	22	114.0757	2.992	227	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[3x6]	C	C[6,6,6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(CH3)	C(C[3x6]C[6,6,6a]2C[6,6])(H)3	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(CH3){1|C<4>,4|C<3>,4|H<1>}	C(C[3x6]C[6,6,6a]2C[6,6])(H)3	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	114.2730	0.081	2	114.2730	0.006	2	114.0528	0.198	18	114.0425	0.240	22	114.0757	2.992	227	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[3x6]	C	C[6,6,6a]	3:3:4:4:	4:2:1:1:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C-4:	C[3x6]-4:O-2:H-1:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CHHO)	C(C[3x6]C[6,6,6a]2C[5,6,6])(OH)(H)2	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CHHO){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C(C[3x6]C[6,6,6a]2C[5,6,6])(OH)(H)2	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	113.7290	0.325	4	113.7290	0.106	4	113.7290	0.106	4	113.7290	0.106	4	114.0757	2.992	227	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[3x6]	C	C[6,6,6a]	3:3:4:4:	4:4:2:1:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:C-4:	C[3x6]-4:C-4:O-2:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(CCHO)	C(C[3x6]C[6,6,6a]2C[3x6])(CH3)(OC)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(CCHO){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	C(C[3x6]C[6,6,6a]2C[3x6])(CH3)(OC)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	113.2895	0.849	4	113.2895	0.720	4	113.2895	0.720	4	114.1302	1.560	16	114.0757	2.992	227	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[3x6]	C	C[6,6,6a]	3:3:4:4:	4:4:2:1:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C-4:	C[3x6]-4:C-4:O-2:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CCHO)	C(C[3x6]C[6,6,6a]2C[5,6,6])(CH3)(OC)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CCHO){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C(C[3x6]C[6,6,6a]2C[5,6,6])(CH3)(OC)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	114.3770	1.154	4	114.4104	1.588	12	114.4104	1.588	12	114.1302	1.560	16	114.0757	2.992	227	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[3x6]	C	C[6,6,6a]	3:3:4:4:	4:4:2:1:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C-4:	C[3x6]-4:C-4:O-2:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CCHO)	C(C[3x6]C[6,6,6a]2C[5,6,6])(CH3)(OC)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CCHO){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C(C[3x6]C[6,6,6a]2C[5,6,6])(CH3)(OC)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	114.5205	1.771	4	114.4104	1.588	12	114.4104	1.588	12	114.1302	1.560	16	114.0757	2.992	227	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[3x6]	C	C[6,6,6a]	3:3:4:4:	4:4:2:1:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C-4:	C[3x6]-4:C-4:O-2:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CCHO)	C(C[3x6]C[6,6,6a]2C[5,6,6])(CH3)(OC)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CCHO){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C(C[3x6]C[6,6,6a]2C[5,6,6])(CH3)(OC)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	114.3337	1.154	4	114.4104	1.588	12	114.4104	1.588	12	114.1302	1.560	16	114.0757	2.992	227	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[3x6]	C	C[6,6,6a]	3:3:4:4:	4:4:3:1:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C-4:	C[3x6]-4:C-4:N-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CCHN)	C(C[3x6]C[6,6,6a]2C[5,6,6])(CH3)(NCH)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CCHN){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C(C[3x6]C[6,6,6a]2C[5,6,6])(CH3)(NCH)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	114.1735	2.404	6	114.1735	5.777	6	114.1735	5.777	6	114.1735	5.777	6	114.0757	2.992	227	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[3x6]	C	C[6,6,6a]	3:4:2:4:	4:1:1:1:	3:4:3:	C[6,6,6a]-3:C[6,6]-4:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(CH3)	C(C[3x6]C[6,6,6a]C[6,6]O[6,6])(H)3	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]O[6,6]C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(CH3){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C(C[3x6]C[6,6,6a]C[6,6]O[6,6])(H)3	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]O[6,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	115.9030	0.000	1	115.8635	0.003	2	115.8635	0.003	2	115.8635	0.003	2	114.0757	2.992	227	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[3x6]	C	C[6,6,6a]	3:4:2:4:	4:1:1:1:	3:4:3:	C[6,6,6a]-3:C[6,6]-4:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(CH3)	C(C[3x6]C[6,6,6a]C[6,6]O[6,6])(H)3	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]O[6,6]C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(CH3){1|C<4>,2|C<3>,5|H<1>}	C(C[3x6]C[6,6,6a]C[6,6]O[6,6])(H)3	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]O[6,6]C)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	115.8240	0.000	1	115.8635	0.003	2	115.8635	0.003	2	115.8635	0.003	2	114.0757	2.992	227	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[3x6]	C	C[6,6,6a]	3:4:3:4:	4:1:1:1:	3:4:3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6a]C)(C[6,6]O[6,6]O)(CH3)	C(C[3x6]C[6,6,6a]C[6,6]2)(H)3	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6a]C)(C[6,6]O[6,6]O)(CH3){1|C<4>,3|H<1>,4|C<3>}	C(C[3x6]C[6,6,6a]C[6,6]2)(H)3	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	114.1530	0.000	1	114.1530	0.000	1	115.1427	0.652	11	115.1023	0.613	12	114.0757	2.992	227	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[3x6]	C	C[6,6,6a]	3:4:3:4:	4:1:1:1:	3:4:3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(C[6,6]O[6,6]O)(CH3)	C(C[3x6]C[6,6,6a]C[6,6]2)(H)3	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(C[6,6]O[6,6]O)(CH3){1|C<4>,3|H<1>,4|C<3>}	C(C[3x6]C[6,6,6a]C[6,6]2)(H)3	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	114.9180	0.562	4	114.9192	0.237	5	115.1427	0.652	11	115.1023	0.613	12	114.0757	2.992	227	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[3x6]	C	C[6,6,6a]	3:4:3:4:	4:1:1:1:	3:4:3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(C[6,6]O[6,6]O)(CH3)	C(C[3x6]C[6,6,6a]C[6,6]2)(H)3	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(C[6,6]O[6,6]O)(CH3){2|C<4>,2|H<1>,4|C<3>}	C(C[3x6]C[6,6,6a]C[6,6]2)(H)3	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	114.9240	0.000	1	114.9192	0.237	5	115.1427	0.652	11	115.1023	0.613	12	114.0757	2.992	227	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[3x6]	C	C[6,6,6a]	3:4:3:4:	4:1:1:1:	3:4:3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(CH3)	C(C[3x6]C[6,6,6a]C[6,6]2)(H)3	C[6,6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[3x6]C[6,6]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(CH3){1|C<4>,2|C<3>,3|H<1>}	C(C[3x6]C[6,6,6a]C[6,6]2)(H)3	C[6,6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[3x6]C[6,6]2C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	115.5642	0.929	5	115.5642	0.864	5	115.1427	0.652	11	115.1023	0.613	12	114.0757	2.992	227	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[3x6]	C	C[6,6,6a]	3:4:3:4:	4:1:1:1:	3:4:3:	C[6,6,6a]-3:C[6,6]-4:N[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]HH)(N[6,6]C[3x6]C)(CH3)	C(C[3x6]C[6,6,6a]C[6,6]N[6,6])(H)3	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[6,6]N[6,6]C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]HH)(N[6,6]C[3x6]C)(CH3){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C(C[3x6]C[6,6,6a]C[6,6]N[6,6])(H)3	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[6,6]N[6,6]C)(C[6a]C[6a]H){1|C<3>,3|C<4>,5|H<1>}	114.6580	0.000	1	114.6580	0.000	1	114.6580	0.000	1	115.1023	0.613	12	114.0757	2.992	227	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[3x6]	C	C[6,6a]	4:3:4:4:	4:1:1:1:	4:3:3:	C[4x6]-4:C[6,6a]-3:C[6,6]-4:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(CH3)	C(C[3x6]C[6,6a]C[4x6]C[6,6])(H)3	C[6,6a](C[3x6]C[4x6]C[6,6]C)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|O<2>,3|C<3>}	C(C[3x6]C[6,6a]C[4x6]C[6,6])(H)3	C[6,6a](C[3x6]C[4x6]C[6,6]C)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){2|C<4>,3|C<3>,3|H<1>}	112.8620	0.000	1	112.8710	0.000	2	112.8710	0.000	2	112.8710	0.000	2	112.8710	0.000	2	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[3x6]	C	C[6,6a]	4:3:4:4:	4:1:1:1:	4:3:3:	C[4x6]-4:C[6,6a]-3:C[6,6]-4:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(CH3)	C(C[3x6]C[6,6a]C[4x6]C[6,6])(H)3	C[6,6a](C[3x6]C[4x6]C[6,6]C)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(CH3){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C(C[3x6]C[6,6a]C[4x6]C[6,6])(H)3	C[6,6a](C[3x6]C[4x6]C[6,6]C)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){2|C<4>,3|C<3>,3|H<1>}	112.8800	0.000	1	112.8710	0.000	2	112.8710	0.000	2	112.8710	0.000	2	112.8710	0.000	2	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6,6a]	3:4:4:1:	4:1:1:1:	3:4:2:	C[6,6,6a]-3:C[4,6,6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6,6a]-3:C[6,6]-4:N[6a]-2:	C[6,6](C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(CH3)(H)	C(C[6,6]C[6,6,6a]C[4,6,6]H)(H)3	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]CH)(N[6a]C[6a])	C[6,6](C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(CH3)(H){2|C<3>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6,6a]C[4,6,6]H)(H)3	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]CH)(N[6a]C[6a]){2|C<3>,2|C<4>,3|H<1>}	106.8020	0.000	1	106.8020	0.000	1	106.8020	0.000	1	106.8020	0.000	1	109.8623	4.151	7	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6,6a]	3:4:4:1:	4:3:1:1:	3:4:2:	C[6,6,6a]-3:C[4,6,6]-4:C-4:H-1:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[6,6,6a]-3:C[6,6]-4:N[6a]-2:	C[6,6](C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(CC[6a]HH)(H)	C(C[6,6]C[6,6,6a]C[4,6,6]H)(C[6a]C[6a]2)(H)2	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]CH)(N[6a]C[6a])	C[6,6](C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(CC[6a]HH)(H){2|C<3>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6,6a]C[4,6,6]H)(C[6a]C[6a]2)(H)2	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]CH)(N[6a]C[6a]){2|C<3>,2|C<4>,3|H<1>}	111.5895	0.972	2	111.5895	0.945	2	111.5895	0.945	2	111.5895	0.945	2	109.8623	4.151	7	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6,6a]	3:4:4:1:	4:4:4:1:	3:4:2:	C[6,6,6a]-3:C[4,6,6]-4:C-4:H-1:	C[6,6]-4:C-4:C-4:H-1:	C[6,6,6a]-3:C[6,6]-4:N[6a]-2:	C[6,6](C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(CCCH)(H)	C(C[6,6]C[6,6,6a]C[4,6,6]H)(CH3)2(H)	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]CH)(N[6a]C[6a])	C[6,6](C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(CCCH)(H){2|C<3>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6,6a]C[4,6,6]H)(CH3)2(H)	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]CH)(N[6a]C[6a]){2|C<3>,2|C<4>,3|H<1>}	111.8910	0.000	1	111.8910	0.000	1	111.8910	0.000	1	111.8910	0.000	1	109.8623	4.151	7	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6,6a]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2(CH3)	C(C[6,6]C[6,6,6a]C[6]2)(H)3	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]N[6])(C[6,6]C[6]2C)	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2(CH3){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C(C[6,6]C[6,6,6a]C[6]2)(H)3	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]N[6])(C[6,6]C[6]2C){2|C<3>,3|C<4>,7|H<1>}	110.1310	0.000	1	110.1310	0.000	1	110.1310	0.000	1	110.1310	0.000	1	109.8623	4.151	7	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6,6a]	4:3:3:4:	4:1:1:1:	3:3:4:	C[6,6]-4:C[6,6,6a]-3:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6a,6a]-3:C[6,6a,6a]-3:C[6,6]-4:	C[6,6](C[6,6]C[6,6,6a]C[6]C)(C[6,6,6a]C[6,6a,6a]2)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6,6a]C[6,6]C[6])(H)3	C[6,6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]C)	C[6,6](C[6,6]C[6,6,6a]C[6]C)(C[6,6,6a]C[6,6a,6a]2)(C[6]C[6]H)(CH3){2|H<1>,6|C<3>}	C(C[6,6]C[6,6,6a]C[6,6]C[6])(H)3	C[6,6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]C){1|C<4>,1|H<1>,8|C<3>}	108.5165	0.904	2	108.5165	0.818	2	108.5165	0.818	2	108.5165	0.818	2	109.8623	4.151	7	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:2:2:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:O[6,6]-2:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(CH3)	C(C[6,6]C[6,6a]O[6,6]O[6])(H)3	C[6,6a](C[6,6]O[6,6]O[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(CH3){1|C<4>,1|H<1>,5|C<3>}	C(C[6,6]C[6,6a]O[6,6]O[6])(H)3	C[6,6a](C[6,6]O[6,6]O[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	114.0042	0.416	4	114.2645	0.322	6	114.1411	0.375	7	114.1411	0.375	7	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:2:2:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:O[6,6]-2:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(CH3)	C(C[6,6]C[6,6a]O[6,6]O[6])(H)3	C[6,6a](C[6,6]O[6,6]O[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(CH3){1|H<1>,2|C<4>,4|C<3>}	C(C[6,6]C[6,6a]O[6,6]O[6])(H)3	C[6,6a](C[6,6]O[6,6]O[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	114.4100	0.000	1	114.2645	0.322	6	114.1411	0.375	7	114.1411	0.375	7	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:2:2:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:O[6,6]-2:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(CH3)	C(C[6,6]C[6,6a]O[6,6]O[6])(H)3	C[6,6a](C[6,6]O[6,6]O[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(CH3){2|H<1>,5|C<3>}	C(C[6,6]C[6,6a]O[6,6]O[6])(H)3	C[6,6a](C[6,6]O[6,6]O[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	115.1600	0.000	1	114.2645	0.322	6	114.1411	0.375	7	114.1411	0.375	7	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:2:2:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:O[6,6]-2:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(CH3)	C(C[6,6]C[6,6a]O[6,6]O[6])(H)3	C[6,6a](C[6,6]O[6,6]O[6]C)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(CH3){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C(C[6,6]C[6,6a]O[6,6]O[6])(H)3	C[6,6a](C[6,6]O[6,6]O[6]C)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	113.4010	0.000	1	113.4010	0.000	1	114.1411	0.375	7	114.1411	0.375	7	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:3:2:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6,6a]-3:O[6,6]-2:C-4:	C[6,6]-4:F-1:F-1:F-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])2(O[6,6]C[6,6])(CF3)	C(C[6,6]C[6,6a]2O[6,6])(F)3	C[6,6a](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(O[6,6]C[6,6])(CF3){2|C<4>,3|H<1>,4|C<3>}	C(C[6,6]C[6,6a]2O[6,6])(F)3	C[6,6a](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	112.6565	2.082	2	112.6565	4.337	2	112.6565	4.337	2	113.4356	1.042	7	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:3:2:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6]-3:O[6,6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6,6]C[6,6])(CH3)	C(C[6,6]C[6,6a]O[6,6]C[6])(H)3	C[6,6a](C[6,6]O[6,6]C[6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6,6]C[6,6])(CH3){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C(C[6,6]C[6,6a]O[6,6]C[6])(H)3	C[6,6a](C[6,6]O[6,6]C[6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	113.7600	0.328	3	113.7472	0.054	5	113.7472	0.054	5	113.4356	1.042	7	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:3:2:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6]-3:O[6,6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6,6]C[6,6])(CH3)	C(C[6,6]C[6,6a]O[6,6]C[6])(H)3	C[6,6a](C[6,6]O[6,6]C[6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6,6]C[6,6])(CH3){1|O<2>,2|H<1>,4|C<3>}	C(C[6,6]C[6,6a]O[6,6]C[6])(H)3	C[6,6a](C[6,6]O[6,6]C[6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	113.7280	0.014	2	113.7472	0.054	5	113.7472	0.054	5	113.4356	1.042	7	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:3:2:4:	4:4:1:1:	4:3:3:	C[6,6a]-3:C[6]-3:O[6,6]-2:C-4:	C[6,6]-4:C-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6,6]C[6,6])(CCHH)	C(C[6,6]C[6,6a]O[6,6]C[6])(CH3)(H)2	C[6,6a](C[6,6]O[6,6]C[6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6,6]C[6,6])(CCHH){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C(C[6,6]C[6,6a]O[6,6]C[6])(CH3)(H)2	C[6,6a](C[6,6]O[6,6]C[6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	114.9070	0.000	1	114.9070	0.000	1	114.9070	0.000	1	114.9070	0.000	1	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6a,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]B[6]C[6])(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]B[6]C[6])(C[6]C[6]H)(CH3){1|H<1>,2|C<4>,5|C<3>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H){1|B<3>,2|H<1>,5|C<3>}	106.8580	0.000	1	106.8580	0.000	1	106.8580	0.000	1	106.8580	0.000	1	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5a,6]-3:C[6,6a]-3:N[6,6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(CH3)	C(C[6,6]C[5a,6]C[6,6a]N[6,6])(H)3	C[6,6a](C[6,6]C[5a,6]N[6,6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(CH3){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C(C[6,6]C[5a,6]C[6,6a]N[6,6])(H)3	C[6,6a](C[6,6]C[5a,6]N[6,6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	110.9210	0.000	1	110.9210	0.000	1	110.9210	0.000	1	110.9210	0.000	1	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5a,6]-3:C[6,6a]-3:C[3x6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2H)(CH3)	C(C[6,6]C[5a,6]C[6,6a]C[3x6])(H)3	C[6,6a](C[6,6]C[5a,6]C[3x6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2H)(CH3){1|N<2>,1|N<3>,2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C(C[6,6]C[5a,6]C[6,6a]C[3x6])(H)3	C[6,6a](C[6,6]C[5a,6]C[3x6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	109.7550	0.000	1	109.7550	0.000	1	109.7550	0.000	1	107.9392	7.915	25	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(CH3)	C(C[6,6]C[5a,6]C[6,6a]C[6,6])(H)3	C[6,6a](C[6,6]C[5a,6]C[6,6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(CH3){1|C<4>,1|N<2>,1|N<3>,2|O<2>,3|C<3>,4|H<1>}	C(C[6,6]C[5a,6]C[6,6a]C[6,6])(H)3	C[6,6a](C[6,6]C[5a,6]C[6,6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	109.7100	0.000	1	108.8467	0.560	3	108.8467	0.560	3	107.9392	7.915	25	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(CH3)	C(C[6,6]C[5a,6]C[6,6a]C[6,6])(H)3	C[6,6a](C[6,6]C[5a,6]C[6,6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(CH3){1|N<2>,1|N<3>,2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C(C[6,6]C[5a,6]C[6,6a]C[6,6])(H)3	C[6,6a](C[6,6]C[5a,6]C[6,6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	108.4470	0.000	1	108.8467	0.560	3	108.8467	0.560	3	107.9392	7.915	25	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(CH3)	C(C[6,6]C[5a,6]C[6,6a]C[6,6])(H)3	C[6,6a](C[6,6]C[5a,6]C[6,6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(CH3){1|N<2>,2|C<4>,3|C<3>,3|H<1>,3|O<2>}	C(C[6,6]C[5a,6]C[6,6a]C[6,6])(H)3	C[6,6a](C[6,6]C[5a,6]C[6,6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Cl<1>,2|C<4>,2|H<1>,3|C<3>}	108.3830	0.000	1	108.8467	0.560	3	108.8467	0.560	3	107.9392	7.915	25	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[5,6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[5,6,6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6]C[5,6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C(C[6,6]C[5,6,6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6]C[5,6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	110.8060	0.000	1	110.8060	0.000	1	110.8060	0.000	1	107.9392	7.915	25	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[5a,6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[5a,6,6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C(C[6,6]C[5a,6,6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	106.1380	0.000	1	106.1380	0.000	1	106.3191	2.594	10	107.9392	7.915	25	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[5a,6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[5a,6,6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C(C[6,6]C[5a,6,6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	105.8535	0.093	2	105.8535	0.009	2	106.3191	2.594	10	107.9392	7.915	25	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[5a,6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HO)(CH3)	C(C[6,6]C[5a,6,6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[5,6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HO)(CH3){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C(C[6,6]C[5a,6,6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[5,6a]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	107.0530	0.000	1	107.2707	0.037	3	106.3191	2.594	10	107.9392	7.915	25	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[5a,6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HO)(CH3)	C(C[6,6]C[5a,6,6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[5,6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HO)(CH3){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C(C[6,6]C[5a,6,6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[5,6a]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	107.3795	0.047	2	107.2707	0.037	3	106.3191	2.594	10	107.9392	7.915	25	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[5a,6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HO)(CH3)	C(C[6,6]C[5a,6,6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HO)(CH3){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C(C[6,6]C[5a,6,6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	106.9380	0.000	1	106.9380	0.000	1	106.3191	2.594	10	107.9392	7.915	25	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[5a,6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]SiH)(CH3)	C(C[6,6]C[5a,6,6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[5,6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]SiH)(CH3){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C(C[6,6]C[5a,6,6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[5,6a]C[6])(C[6a]C[6a]H){1|Si<4>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	102.5970	0.000	1	104.0140	4.016	2	106.3191	2.594	10	107.9392	7.915	25	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[5a,6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]SiH)(CH3)	C(C[6,6]C[5a,6,6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[5,6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]SiH)(CH3){1|O<2>,2|H<1>,5|C<3>}	C(C[6,6]C[5a,6,6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[5,6a]C[6])(C[6a]C[6a]H){1|Si<4>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	105.4310	0.000	1	104.0140	4.016	2	106.3191	2.594	10	107.9392	7.915	25	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[5a,6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]O[6]CH)(CH3)	C(C[6,6]C[5a,6,6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]O[6]CH)(CH3){1|H<1>,1|O<2>,5|C<3>}	C(C[6,6]C[5a,6,6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	108.5680	0.000	1	108.5680	0.000	1	106.3191	2.594	10	107.9392	7.915	25	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(CH3){1|C<4>,4|C<3>,4|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	107.4920	0.000	1	107.4920	0.000	1	105.6882	1.327	5	107.9392	7.915	25	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]O){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	106.1180	0.000	1	106.1180	0.000	1	105.6882	1.327	5	107.9392	7.915	25	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	105.2540	0.000	1	105.2540	0.000	1	105.6882	1.327	5	107.9392	7.915	25	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){2|H<1>,2|O<2>,3|C<3>,3|C<4>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	104.7885	0.252	2	104.7885	0.064	2	105.6882	1.327	5	107.9392	7.915	25	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(CH3)	C(C[6,6]C[6,6a]2C[6,6])(H)3	C[6,6a](C[6,6]C[6,6a]C[6,6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(CH3){2|H<1>,2|O<2>,5|C<3>}	C(C[6,6]C[6,6a]2C[6,6])(H)3	C[6,6a](C[6,6]C[6,6a]C[6,6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	112.6325	0.120	2	112.7662	0.283	4	112.7662	0.283	4	107.9392	7.915	25	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(CH3)	C(C[6,6]C[6,6a]2C[6,6])(H)3	C[6,6a](C[6,6]C[6,6a]C[6,6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(CH3){2|H<1>,3|O<2>,4|C<3>}	C(C[6,6]C[6,6a]2C[6,6])(H)3	C[6,6a](C[6,6]C[6,6a]C[6,6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	112.9000	0.874	2	112.7662	0.283	4	112.7662	0.283	4	107.9392	7.915	25	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:N[6,6]-3:C[6]-4:C-4:	C[6,6]-4:F-1:F-1:F-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HH)(CF3)	C(C[6,6]C[6,6a]N[6,6]C[6])(F)3	C[6,6a](C[6,6]N[6,6]C[6]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HH)(CF3){1|H<1>,1|N<3>,2|O<1>,4|C<3>}	C(C[6,6]C[6,6a]N[6,6]C[6])(F)3	C[6,6a](C[6,6]N[6,6]C[6]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,3|H<1>,4|C<3>}	108.6820	0.000	1	108.6820	0.000	1	108.6820	0.000	1	107.9392	7.915	25	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:4:2:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:O[6,6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(O[6,6]C[6,6])(CH3)	C(C[6,6]C[6,6a]O[6,6]C[6])(H)3	C[6,6a](C[6,6]O[6,6]C[6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(O[6,6]C[6,6])(CH3){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C(C[6,6]C[6,6a]O[6,6]C[6])(H)3	C[6,6a](C[6,6]O[6,6]C[6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	112.4730	0.000	1	112.4730	0.000	1	112.4730	0.000	1	112.4730	0.000	1	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:4:3:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6]O)(CH3){1|C<4>,4|C<3>,5|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	109.0330	0.000	1	109.0330	0.000	1	110.5890	4.842	2	110.5890	4.842	2	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:4:3:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]O)(CH3){2|C<4>,3|H<1>,4|C<3>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	112.1450	0.000	1	112.1450	0.000	1	110.5890	4.842	2	110.5890	4.842	2	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:4:3:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[3,6]-4:C[5a,6,6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(C[5a,6,6]C[5a,6]2)(CH3)	C(C[6,6]C[5a,6,6]C[6,6a]C[3,6])(H)3	C[6,6a](C[6,6]C[5a,6,6]C[3,6]C)(C[6,6a]C[5,6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(C[5a,6,6]C[5a,6]2)(CH3){1|O<2>,2|H<1>,5|C<3>}	C(C[6,6]C[5a,6,6]C[6,6a]C[3,6])(H)3	C[6,6a](C[6,6]C[5a,6,6]C[3,6]C)(C[6,6a]C[5,6a]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	108.3320	0.000	1	108.3320	0.000	1	108.3320	0.000	1	109.9950	8.113	3	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:4:3:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6,6a]O)(CH3)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6,6a]O)(CH3){1|O<2>,2|H<1>,4|C<3>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	113.2840	0.000	1	113.2840	0.000	1	110.8265	12.079	2	109.9950	8.113	3	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:4:3:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){3|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	108.3690	0.000	1	108.3690	0.000	1	110.8265	12.079	2	109.9950	8.113	3	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:4:3:4:	4:4:1:1:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6,6a]O)(CCHH)	C(C[6,6]C[6,6a]C[6,6]C[6])(CH3)(H)2	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6,6a]O)(CCHH){1|O<2>,2|H<1>,4|C<3>}	C(C[6,6]C[6,6a]C[6,6]C[6])(CH3)(H)2	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	113.0585	0.767	2	113.0585	0.589	2	111.4723	7.842	3	111.4723	7.842	3	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:4:3:4:	4:4:1:1:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(CCHH)	C(C[6,6]C[6,6a]C[6,6]C[6])(CHHO)(H)2	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(CCHH){1|P<4>,2|C<3>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(CHHO)(H)2	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,5|H<1>}	108.3000	0.000	1	108.3000	0.000	1	111.4723	7.842	3	111.4723	7.842	3	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	107.9450	0.000	1	107.9450	0.000	1	107.9450	0.000	1	107.1278	6.126	11	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	113.3210	0.000	1	113.3210	0.000	1	107.0461	6.725	10	107.1278	6.126	11	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H){2|C<3>,3|C<4>,6|H<1>}	107.6290	0.000	1	107.6290	0.000	1	107.0461	6.725	10	107.1278	6.126	11	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H){2|C<3>,3|C<4>,6|H<1>}	105.3425	0.161	4	105.3425	0.026	4	107.0461	6.725	10	107.1278	6.126	11	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HO)(CH3)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HO)(CH3){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|O<2>,4|H<1>}	109.5290	0.000	1	109.5290	0.000	1	107.0461	6.725	10	107.1278	6.126	11	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|N<2>,3|C<4>,5|H<1>}	106.2160	0.000	1	106.2160	0.000	1	107.0461	6.725	10	107.1278	6.126	11	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H){2|C<3>,3|C<4>,6|H<1>}	106.1980	0.914	2	106.1980	0.835	2	107.0461	6.725	10	107.1278	6.126	11	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[3,6]-4:C[5,6,6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(C[5,6,6]C[5,6]2H)(CH3)	C(C[6,6]C[5,6,6]C[6,6a]C[3,6])(H)3	C[6,6a](C[6,6]C[5,6,6]C[3,6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(C[5,6,6]C[5,6]2H)(CH3){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[5,6,6]C[6,6a]C[3,6])(H)3	C[6,6a](C[6,6]C[5,6,6]C[3,6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|O<2>,4|C<4>,4|H<1>}	107.8170	0.000	1	107.8170	0.000	1	107.8170	0.000	1	106.9227	2.154	121	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[5,6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]SiH)(CH3)	C(C[6,6]C[5,6,6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6]C[5,6,6]C[6]C)(C[6,6a]C[5,6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]SiH)(CH3){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	C(C[6,6]C[5,6,6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6]C[5,6,6]C[6]C)(C[6,6a]C[5,6a]C[6])(C[6a]C[6a]H){1|Si<4>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	110.2990	0.000	1	110.2990	0.000	1	110.2990	0.000	1	106.9227	2.154	121	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[4,6]C[6]H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[4,6]C[6]H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,7|H<1>}	106.1900	0.000	1	106.1900	0.000	1	106.8868	2.086	119	106.9227	2.154	121	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<4>,4|C<3>,5|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	107.0330	0.000	1	106.9420	0.154	5	106.8868	2.086	119	106.9227	2.154	121	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	106.4400	0.000	1	106.9420	0.154	5	106.8868	2.086	119	106.9227	2.154	121	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	106.9360	0.000	1	106.9420	0.154	5	106.8868	2.086	119	106.9227	2.154	121	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	106.7830	0.000	1	106.9420	0.154	5	106.8868	2.086	119	106.9227	2.154	121	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,5|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	107.5180	0.000	1	106.9420	0.154	5	106.8868	2.086	119	106.9227	2.154	121	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6]HH)(CH3){1|C<4>,1|N<4>,2|C<3>,4|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	112.8360	0.000	1	112.8360	0.000	1	106.8868	2.086	119	106.9227	2.154	121	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,5|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	107.4595	0.484	2	107.4595	0.235	2	106.8868	2.086	119	106.9227	2.154	121	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<3>,1|N<3>,1|O<2>,3|C<4>,4|H<1>}	106.6460	0.000	1	106.2303	0.658	10	106.8868	2.086	119	106.9227	2.154	121	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|O<2>,3|C<4>,4|H<1>}	106.4990	0.000	1	106.2303	0.658	10	106.8868	2.086	119	106.9227	2.154	121	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	105.4710	1.187	2	106.2303	0.658	10	106.8868	2.086	119	106.9227	2.154	121	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	106.5654	0.680	5	106.2303	0.658	10	106.8868	2.086	119	106.9227	2.154	121	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	105.3890	0.000	1	106.2303	0.658	10	106.8868	2.086	119	106.9227	2.154	121	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,3|C<4>,7|H<1>}	106.9750	0.839	2	106.9750	0.703	2	106.8868	2.086	119	106.9227	2.154	121	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<4>,2|C<3>,8|H<1>}	114.0180	0.000	1	114.6085	0.697	2	106.8868	2.086	119	106.9227	2.154	121	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,2|C<4>,8|H<1>}	115.1990	0.000	1	114.6085	0.697	2	106.8868	2.086	119	106.9227	2.154	121	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]O){1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	106.1223	0.491	4	106.1223	0.241	4	106.8868	2.086	119	106.9227	2.154	121	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]O){1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	106.9840	0.000	1	106.9840	0.000	1	106.8868	2.086	119	106.9227	2.154	121	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,6|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	108.2690	0.000	1	108.2690	0.000	1	106.8868	2.086	119	106.9227	2.154	121	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<2>,2|C<3>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	106.8900	0.000	1	106.6112	0.623	82	106.8868	2.086	119	106.9227	2.154	121	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<4>,4|C<3>,6|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	107.2710	0.000	1	106.6112	0.623	82	106.8868	2.086	119	106.9227	2.154	121	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<4>,5|C<3>,5|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	107.1930	0.000	1	106.6112	0.623	82	106.8868	2.086	119	106.9227	2.154	121	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|N<2>,2|C<3>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	105.1240	0.000	1	106.6112	0.623	82	106.8868	2.086	119	106.9227	2.154	121	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	107.9630	0.000	2	106.6112	0.623	82	106.8868	2.086	119	106.9227	2.154	121	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	107.2940	0.000	1	106.6112	0.623	82	106.8868	2.086	119	106.9227	2.154	121	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,3|C<4>,6|H<1>}	107.1380	0.000	1	106.6112	0.623	82	106.8868	2.086	119	106.9227	2.154	121	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	106.5940	0.000	1	106.6112	0.623	82	106.8868	2.086	119	106.9227	2.154	121	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,7|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	107.1530	0.000	1	106.6112	0.623	82	106.8868	2.086	119	106.9227	2.154	121	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<3>,3|C<4>,6|H<1>}	106.7220	0.315	2	106.6112	0.623	82	106.8868	2.086	119	106.9227	2.154	121	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	106.2986	0.671	26	106.6112	0.623	82	106.8868	2.086	119	106.9227	2.154	121	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,4|C<4>,6|H<1>}	106.6583	0.574	4	106.6112	0.623	82	106.8868	2.086	119	106.9227	2.154	121	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,6|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<3>,3|C<4>,6|H<1>}	106.6470	0.382	4	106.6112	0.623	82	106.8868	2.086	119	106.9227	2.154	121	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,6|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	106.6520	0.000	1	106.6112	0.623	82	106.8868	2.086	119	106.9227	2.154	121	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<4>,4|C<3>,5|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	105.9300	0.000	1	106.6112	0.623	82	106.8868	2.086	119	106.9227	2.154	121	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	107.0030	0.000	1	106.6112	0.623	82	106.8868	2.086	119	106.9227	2.154	121	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|N<3>,3|C<4>,5|H<1>}	104.7520	0.000	1	106.6112	0.623	82	106.8868	2.086	119	106.9227	2.154	121	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,3|C<4>,6|H<1>}	105.9040	0.000	1	106.6112	0.623	82	106.8868	2.086	119	106.9227	2.154	121	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	108.8250	0.000	1	106.6112	0.623	82	106.8868	2.086	119	106.9227	2.154	121	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	105.9580	0.000	1	106.6112	0.623	82	106.8868	2.086	119	106.9227	2.154	121	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	105.7695	0.436	2	106.6112	0.623	82	106.8868	2.086	119	106.9227	2.154	121	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	106.9360	0.354	7	106.6112	0.623	82	106.8868	2.086	119	106.9227	2.154	121	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	105.9410	0.000	1	106.6112	0.623	82	106.8868	2.086	119	106.9227	2.154	121	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	106.7849	0.784	16	106.6112	0.623	82	106.8868	2.086	119	106.9227	2.154	121	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,4|C<4>,6|H<1>}	108.6460	0.000	1	106.6112	0.623	82	106.8868	2.086	119	106.9227	2.154	121	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,3|C<4>,6|H<1>}	106.3700	0.000	1	106.6112	0.623	82	106.8868	2.086	119	106.9227	2.154	121	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,6|H<1>}	106.4740	0.000	1	106.6112	0.623	82	106.8868	2.086	119	106.9227	2.154	121	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	106.4880	0.000	1	107.4914	1.066	5	106.8868	2.086	119	106.9227	2.154	121	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	107.7422	1.001	4	107.4914	1.066	5	106.8868	2.086	119	106.9227	2.154	121	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|N<3>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]O){2|C<3>,3|C<4>,5|H<1>}	109.0320	0.000	1	109.0320	0.000	1	106.8868	2.086	119	106.9227	2.154	121	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]C)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|O<2>,3|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]C){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	108.5290	0.139	2	108.5290	0.019	2	106.8868	2.086	119	106.9227	2.154	121	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:4:4:4:	4:2:2:1:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C-2:C-2:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CCCH)	C(C[6,6]C[6,6a]C[6,6]C[6])(CN)2(H)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CCCH){1|S<2>,4|C<3>,5|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(CN)2(H)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	106.5130	0.000	1	106.5130	0.000	1	106.5130	0.000	1	106.5130	0.000	1	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6,6a]	3:4:4:4:	4:4:1:1:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HO)(CCHH)	C(C[6,6]C[6,6a]C[6,6]C[6])(CHHN)(H)2	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HO)(CCHH){1|C<4>,3|C<3>,3|H<1>,3|O<2>}	C(C[6,6]C[6,6a]C[6,6]C[6])(CHHN)(H)2	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	106.0780	0.000	1	106.0780	0.000	1	106.0780	0.000	1	106.0780	0.000	1	107.8427	7.147	185	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6a]	4:4:3:4:	4:1:1:1:	4:3:3:	C[3x6]-4:C[6,6]-4:C[6a]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(CH3)	C(C[6,6]C[3x6]C[6,6]C[6a])(H)3	C[6a](C[6,6]C[3x6]C[6,6]C)(C[6a]C[6a]H)2	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(CH3){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C(C[6,6]C[3x6]C[6,6]C[6a])(H)3	C[6a](C[6,6]C[3x6]C[6,6]C)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	111.3130	0.000	1	111.3130	0.000	1	111.3130	0.000	1	110.0085	3.403	2	109.2235	2.026	4	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6a]	4:4:3:4:	4:1:1:1:	4:3:3:	C[6,6]-4:C[6,6]-4:C[6a]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6](C[6,6]C[6]2H)2(C[6a]C[6a]2)(CH3)	C(C[6,6]C[6,6]2C[6a])(H)3	C[6a](C[6,6]C[6,6]2C)(C[6a]C[6a]H)2	C[6,6](C[6,6]C[6]2H)2(C[6a]C[6a]2)(CH3){2|C<3>,2|H<1>,2|N<3>,4|O<1>}	C(C[6,6]C[6,6]2C[6a])(H)3	C[6a](C[6,6]C[6,6]2C)(C[6a]C[6a]H)2{4|H<1>,5|C<3>}	108.7040	0.000	1	108.7040	0.000	1	108.7040	0.000	1	110.0085	3.403	2	109.2235	2.026	4	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6,6]	C	C[6a]	4:4:3:4:	4:3:1:1:	4:3:3:	C[3x6]-4:C[6,6]-4:C[6a]-3:C-4:	C[6,6]-4:C-3:H-1:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(CCHH)	C(C[6,6]C[3x6]C[6,6]C[6a])(CCH)(H)2	C[6a](C[6,6]C[3x6]C[6,6]C)(C[6a]C[6a]H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(CCHH){1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C(C[6,6]C[3x6]C[6,6]C[6a])(CCH)(H)2	C[6a](C[6,6]C[3x6]C[6,6]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,5|H<1>}	108.4385	0.457	2	108.4385	0.209	2	108.4385	0.209	2	108.4385	0.209	2	109.2235	2.026	4	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:2:4:1:	4:1:1:1:	3:3:4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:Cl-1:Cl-1:Cl-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[6])(CCl3)(H)	C(C[6]C[6,6a]O[6]H)(Cl)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[6])(CCl3)(H){1|H<1>,1|S<1>,2|C<3>,2|O<2>}	C(C[6]C[6,6a]O[6]H)(Cl)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]CH){1|Cl<1>,1|C<3>,1|H<1>,1|P<4>}	114.9400	0.000	1	114.9400	0.000	1	114.9400	0.000	1	113.6946	1.381	17	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:2:4:1:	4:1:1:1:	3:3:4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:F-1:F-1:F-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CF3)(H)	C(C[6]C[6,6a]O[6]H)(F)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CF3)(H){1|H<1>,1|N<2>,3|C<3>}	C(C[6]C[6,6a]O[6]H)(F)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CH){2|C<3>,2|H<1>}	112.6640	0.000	1	112.4187	0.045	3	112.4965	0.054	4	113.6946	1.381	17	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:2:4:1:	4:1:1:1:	3:3:4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:F-1:F-1:F-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CF3)(H)	C(C[6]C[6,6a]O[6]H)(F)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CF3)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[6]C[6,6a]O[6]H)(F)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CH){1|S<4>,2|C<3>,2|H<1>}	112.2960	0.000	2	112.4187	0.045	3	112.4965	0.054	4	113.6946	1.381	17	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:2:4:1:	4:1:1:1:	3:3:4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:F-1:F-1:F-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CF3)(H)	C(C[6]C[6,6a]O[6]H)(F)3	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CF3)(H){1|C<3>,1|H<1>,1|O<1>,3|N<3>}	C(C[6]C[6,6a]O[6]H)(F)3	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(C[6]O[6]CH){1|C<3>,1|H<1>,3|C<4>}	112.7300	0.000	1	112.7300	0.000	1	112.4965	0.054	4	113.6946	1.381	17	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:2:4:1:	4:1:1:1:	3:3:4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(CH3)(H)	C(C[6]C[6,6a]O[6]H)(H)3	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6a]O[6]H)(H)3	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]CH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	113.9265	0.194	2	113.9265	0.038	2	113.9902	1.236	12	113.6946	1.381	17	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:2:4:1:	4:1:1:1:	3:3:4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CH3)(H)	C(C[6]C[6,6a]O[6]H)(H)3	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]2)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CH3)(H){5|C<3>}	C(C[6]C[6,6a]O[6]H)(H)3	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]2)(C[6]O[6]CH){7|C<3>}	115.1315	1.538	2	115.1315	2.365	2	113.9902	1.236	12	113.6946	1.381	17	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:2:4:1:	4:1:1:1:	3:3:4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CH3)(H)	C(C[6]C[6,6a]O[6]H)(H)3	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[5,6a]H)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CH3)(H){1|H<1>,4|C<3>}	C(C[6]C[6,6a]O[6]H)(H)3	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[5,6a]H)(C[6]O[6]CH){1|H<1>,4|C<3>}	116.0590	0.000	1	116.0590	0.000	1	113.9902	1.236	12	113.6946	1.381	17	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:2:4:1:	4:1:1:1:	3:3:4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CH3)(H)	C(C[6]C[6,6a]O[6]H)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CH3)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C(C[6]C[6,6a]O[6]H)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]O[6]CH){1|C<4>,2|C<3>,3|H<1>}	112.2860	0.000	1	112.2860	0.000	1	113.9902	1.236	12	113.6946	1.381	17	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:2:4:1:	4:1:1:1:	3:3:4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CH3)(H)	C(C[6]C[6,6a]O[6]H)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]O[6]H)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]O[6]CH){1|C<4>,2|H<1>,3|C<3>}	113.9510	0.000	1	113.9510	0.000	1	113.9902	1.236	12	113.6946	1.381	17	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:2:4:1:	4:1:1:1:	3:3:4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CH3)(H)	C(C[6]C[6,6a]O[6]H)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CH3)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C(C[6]C[6,6a]O[6]H)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]O[6]CH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	113.3740	0.000	1	113.3740	0.000	1	113.9902	1.236	12	113.6946	1.381	17	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:2:4:1:	4:1:1:1:	3:3:4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CH3)(H)	C(C[6]C[6,6a]O[6]H)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CH3)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C(C[6]C[6,6a]O[6]H)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]CH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	113.3980	0.000	1	113.3980	0.000	1	113.9902	1.236	12	113.6946	1.381	17	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:2:4:1:	4:1:1:1:	3:3:4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]N[5,6])(CH3)(H)	C(C[6]C[6,6a]O[6]H)(H)3	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]O[6a]O)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]N[5,6])(CH3)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C(C[6]C[6,6a]O[6]H)(H)3	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]O[6a]O)(C[6]O[6]CH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	113.5660	0.247	3	113.5660	0.061	3	113.9902	1.236	12	113.6946	1.381	17	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:2:4:1:	4:2:1:1:	3:3:4:	C[6,6a]-3:N[6]-2:C-4:H-1:	C[6]-4:C-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6])(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(CN)(H)2	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6])(CCHH)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C(C[6]C[6,6a]N[6]H)(CN)(H)2	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH){2|H<1>,3|C<3>}	112.2720	0.000	1	112.2720	0.000	1	112.2720	0.000	1	112.2720	0.000	1	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:2:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:N[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6])(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(COO)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6])(CCHH)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C(C[6]C[6,6a]N[6]H)(COO)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,1|S<4>,2|H<1>}	112.1970	0.000	1	112.1970	0.000	1	112.1970	0.000	1	112.5557	4.362	7	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:2:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(CCHH)(H)	C(C[6]C[6,6a]O[6]H)(COO)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(CCHH)(H){1|H<1>,4|C<3>}	C(C[6]C[6,6a]O[6]H)(COO)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]CH){1|O<2>,2|C<3>,2|H<1>}	109.6700	0.000	1	109.6700	0.000	1	112.1240	5.494	4	112.5557	4.362	7	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:2:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CCHH)(H)	C(C[6]C[6,6a]O[6]H)(COO)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]C)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CCHH)(H){1|C<4>,4|C<3>}	C(C[6]C[6,6a]O[6]H)(COO)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]C)(C[6]O[6]CH){1|H<1>,1|O<2>,3|C<3>}	112.4540	0.000	1	112.4540	0.000	1	112.1240	5.494	4	112.5557	4.362	7	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:2:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCHH)(H)	C(C[6]C[6,6a]O[6]H)(CC[6a]C[5])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]O[6]H)(CC[6a]C[5])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH){2|C<3>,3|H<1>}	111.1740	0.000	1	111.1740	0.000	1	112.1240	5.494	4	112.5557	4.362	7	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:2:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]N[6])(CCHH)(H)	C(C[6]C[6,6a]O[6]H)(COO)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]N[6])(CCHH)(H){1|H<1>,4|C<3>}	C(C[6]C[6,6a]O[6]H)(COO)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	115.1980	0.000	1	115.1980	0.000	1	112.1240	5.494	4	112.5557	4.362	7	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:2:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CC[6]HH)(H)	C(C[6]C[6,6a]O[6]H)(C[6]C[6]O[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CC[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]O[6]H)(C[6]C[6]O[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	115.4210	0.000	1	115.4210	0.000	1	115.4210	0.000	1	112.5557	4.362	7	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:2:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CHHN)(H)	C(C[6]C[6,6a]O[6]H)(NOO)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CHHN)(H){1|H<1>,4|C<3>}	C(C[6]C[6,6a]O[6]H)(NOO)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH){2|C<3>,3|H<1>}	111.7760	0.000	1	111.7760	0.000	1	111.7760	0.000	1	112.5557	4.362	7	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:2:4:1:	4:3:4:1:	3:3:4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:C-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCCH)(H)	C(C[6]C[6,6a]O[6]H)(CC[6a]C[5])(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCCH)(H){1|H<1>,4|C<3>}	C(C[6]C[6,6a]O[6]H)(CC[6a]C[5])(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH){2|C<3>,3|H<1>}	112.7190	0.000	1	112.7190	0.000	1	112.7190	0.000	1	112.7190	0.000	1	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:2:4:1:	4:4:1:1:	3:3:4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CC[6]HH)(H)	C(C[6]C[6,6a]O[6]H)(C[6]C[6]O[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CC[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]O[6]H)(C[6]C[6]O[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	115.4290	0.000	1	115.4290	0.000	1	114.8185	0.745	2	113.7823	3.594	3	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:2:4:1:	4:4:1:1:	3:3:4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CC[6]HH)(H)	C(C[6]C[6,6a]O[6]H)(C[6]C[6]O[6]O)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CC[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]O[6]H)(C[6]C[6]O[6]O)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	114.2080	0.000	1	114.2080	0.000	1	114.8185	0.745	2	113.7823	3.594	3	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:2:4:1:	4:4:1:1:	3:3:4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:S-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(CHHS)(H)	C(C[6]C[6,6a]O[6]H)(SC[6a]OO)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(CHHS)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]O[6]H)(SC[6a]OO)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]CH){2|H<1>,3|C<3>}	111.7100	0.000	1	111.7100	0.000	1	111.7100	0.000	1	113.7823	3.594	3	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:2:4:1:	4:4:4:1:	3:2:4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	N[6,6a]-3:N[6a]-2:C[6]-4:	C[6](C[6,6a]N[6,6a]N[6a])(O[6]C[6])(CCCH)(H)	C(C[6]C[6,6a]O[6]H)(CH3)2(H)	C[6,6a](N[6,6a]C[6a]N[6])(N[6a]C[6a,6a])(C[6]O[6]CH)	C[6](C[6,6a]N[6,6a]N[6a])(O[6]C[6])(CCCH)(H){1|H<1>,1|N<2>,2|C<3>}	C(C[6]C[6,6a]O[6]H)(CH3)2(H)	C[6,6a](N[6,6a]C[6a]N[6])(N[6a]C[6a,6a])(C[6]O[6]CH){1|O<1>,3|C<3>}	113.5800	0.000	1	113.5800	0.000	1	113.5800	0.000	1	113.5800	0.000	1	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:2:4:1:	4:4:4:4:	3:3:4:	C[6,6a]-3:S[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(CC3)(H)	C(C[6]C[6,6a]S[6]H)(CH3)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]S[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(CC3)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]S[6]H)(CH3)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]S[6]CH){1|C<4>,2|C<3>,2|H<1>}	115.6570	0.000	1	115.6570	0.000	1	115.6570	0.000	1	115.6570	0.000	1	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:2:4:2:	4:1:1:1:	3:3:4:	C[6,6a]-3:O[6]-2:C-4:C-2:	C[6]-4:F-1:F-1:F-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CF3)(CC)	C(C[6]C[6,6a]O[6]C)(F)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CF3)(CC){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[6]C[6,6a]O[6]C)(F)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CC){1|Cl<1>,2|C<3>,2|H<1>}	110.3785	0.607	2	110.3785	0.369	2	110.3785	0.369	2	110.3785	0.369	2	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:2:4:2:	4:4:1:1:	3:3:4:	C[6,6a]-3:O[6]-2:C-4:O-2:	C[6]-4:C-4:F-1:F-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CCFF)(OH)	C(C[6]C[6,6a]O[6]O)(CCFF)(F)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CCFF)(OH){1|H<1>,4|C<3>}	C(C[6]C[6,6a]O[6]O)(CCFF)(F)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]CO){5|C<3>}	111.0130	0.000	1	111.0130	0.000	1	111.0130	0.000	1	111.0130	0.000	1	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:2:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:N[6]-2:C-4:C-4:	C[6]-4:F-1:F-1:F-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6])(CCHH)(CF3)	C(C[6]C[6,6a]N[6]C)(F)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6])(CCHH)(CF3){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C(C[6]C[6,6a]N[6]C)(F)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CC){1|C<3>,1|S<4>,2|H<1>}	111.0030	0.000	1	111.0030	0.000	1	111.0030	0.000	1	111.7432	1.741	18	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:2:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:O[6]-2:C-4:C-4:	C[6]-4:F-1:F-1:F-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]Nb[6,6])(CF3)2	C(C[6]C[6,6a]O[6]C)(F)3	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]Nb[6,6])(CF3)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C(C[6]C[6,6a]O[6]C)(F)3	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]CC){1|Nb<5>,1|C<4>,1|H<1>,2|C<3>}	111.4255	1.198	4	111.4255	1.435	4	111.4255	1.435	4	111.7432	1.741	18	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:2:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,5,6])(CH3)2	C(C[6]C[6,6a]O[6]C)(H)3	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,5,6])(CH3)2{1|H<1>,2|C<3>,3|C<4>}	C(C[6]C[6,6a]O[6]C)(H)3	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]CC){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	111.8912	1.056	4	111.8912	1.115	4	111.8979	2.002	13	111.7432	1.741	18	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:2:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CCHH)(CH3)	C(C[6]C[6,6a]O[6]C)(H)3	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CCHH)(CH3){1|H<1>,4|C<3>}	C(C[6]C[6,6a]O[6]C)(H)3	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]CC){2|H<1>,3|C<3>}	113.3020	0.000	1	113.3020	0.000	1	111.8979	2.002	13	111.7432	1.741	18	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:2:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CH3)2	C(C[6]C[6,6a]O[6]C)(H)3	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[5,6a]H)(C[6]O[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CH3)2{1|H<1>,4|C<3>}	C(C[6]C[6,6a]O[6]C)(H)3	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[5,6a]H)(C[6]O[6]CC){1|H<1>,1|O<2>,3|C<3>}	111.4960	2.077	2	111.4960	4.316	2	111.8979	2.002	13	111.7432	1.741	18	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:2:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCHH)(CH3)	C(C[6]C[6,6a]O[6]C)(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCHH)(CH3){1|H<1>,1|N<2>,3|C<3>}	C(C[6]C[6,6a]O[6]C)(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CC){2|C<3>,2|H<1>}	112.0640	0.000	1	112.0640	0.000	1	111.8979	2.002	13	111.7432	1.741	18	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:2:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CH3)2	C(C[6]C[6,6a]O[6]C)(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(C[6]O[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CH3)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C(C[6]C[6,6a]O[6]C)(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(C[6]O[6]CC){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	111.1852	1.587	4	111.1852	2.519	4	111.8979	2.002	13	111.7432	1.741	18	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:2:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CHHO)(CH3)	C(C[6]C[6,6a]O[6]C)(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CHHO)(CH3){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[6]C[6,6a]O[6]C)(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CC){2|C<3>,3|H<1>}	114.0090	0.000	1	114.0090	0.000	1	111.8979	2.002	13	111.7432	1.741	18	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:2:4:4:	4:2:1:1:	3:3:4:	C[6,6a]-3:O[6]-2:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CHHO)(CH3)	C(C[6]C[6,6a]O[6]C)(OS)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CHHO)(CH3){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[6]C[6,6a]O[6]C)(OS)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CC){2|C<3>,3|H<1>}	111.6590	0.000	1	111.6590	0.000	1	111.6590	0.000	1	111.6590	0.000	1	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:2:4:4:	4:3:1:1:	3:3:4:	C[6,6a]-3:O[6]-2:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CCHH)(CH3)	C(C[6]C[6,6a]O[6]C)(CCO)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CCHH)(CH3){1|H<1>,4|C<3>}	C(C[6]C[6,6a]O[6]C)(CCO)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]CC){2|H<1>,3|C<3>}	108.6850	0.000	1	108.6850	0.000	1	108.6850	0.000	1	108.6850	0.000	1	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:2:4:4:	4:4:1:1:	3:3:4:	C[6,6a]-3:N[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6])(CCHH)(CF3)	C(C[6]C[6,6a]N[6]C)(CCHO)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6])(CCHH)(CF3){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C(C[6]C[6,6a]N[6]C)(CCHO)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CC){1|C<3>,1|S<4>,2|H<1>}	112.2070	0.000	1	112.2070	0.000	1	112.2070	0.000	1	111.1354	7.265	8	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:2:4:4:	4:4:1:1:	3:3:4:	C[6,6a]-3:O[6]-2:C-4:C-4:	C[6]-4:C-4:Br-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CBrCH)(CCHH)	C(C[6]C[6,6a]O[6]C)(CCHH)(Br)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CBrCH)(CCHH){1|H<1>,1|N<2>,3|C<3>}	C(C[6]C[6,6a]O[6]C)(CCHH)(Br)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CC){2|C<3>,2|H<1>}	113.3910	0.000	1	113.3910	0.000	1	113.3910	0.000	1	111.1354	7.265	8	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:2:4:4:	4:4:1:1:	3:3:4:	C[6,6a]-3:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CCHH)2	C(C[6]C[6,6a]O[6]C)(CCHH)(H)2	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]N[5a])(C[6]O[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CCHH)2{1|N<2>,1|N<3>,3|C<3>}	C(C[6]C[6,6a]O[6]C)(CCHH)(H)2	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]N[5a])(C[6]O[6]CC){6|C<3>}	111.3870	3.046	2	111.3870	9.279	2	110.5808	8.555	6	111.1354	7.265	8	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:2:4:4:	4:4:1:1:	3:3:4:	C[6,6a]-3:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CCHH)2	C(C[6]C[6,6a]O[6]C)(CH3)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CCHH)2{1|H<1>,4|C<3>}	C(C[6]C[6,6a]O[6]C)(CH3)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]CC){1|H<1>,1|O<2>,3|C<3>}	110.4570	4.623	2	110.4570	21.373	2	110.5808	8.555	6	111.1354	7.265	8	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:2:4:4:	4:4:1:1:	3:3:4:	C[6,6a]-3:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CBrCH)(CCHH)	C(C[6]C[6,6a]O[6]C)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CBrCH)(CCHH){1|H<1>,1|N<2>,3|C<3>}	C(C[6]C[6,6a]O[6]C)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CC){2|C<3>,2|H<1>}	112.1190	0.000	1	112.1190	0.000	1	110.5808	8.555	6	111.1354	7.265	8	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:2:4:4:	4:4:1:1:	3:3:4:	C[6,6a]-3:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCHH)(CH3)	C(C[6]C[6,6a]O[6]C)(CF3)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCHH)(CH3){1|H<1>,1|N<2>,3|C<3>}	C(C[6]C[6,6a]O[6]C)(CF3)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CC){2|C<3>,2|H<1>}	107.6780	0.000	1	107.6780	0.000	1	110.5808	8.555	6	111.1354	7.265	8	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:2:4:	4:1:1:1:	3:2:4:	C[6,6a]-3:N[6]-3:O-2:C-4:	C[6]-4:H-1:H-1:H-1:	N[6,6a]-3:N[6a]-2:C[6]-4:	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]H)(OC[5])(CH3)	C(C[6]C[6,6a]N[6]O)(H)3	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]CO)	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]H)(OC[5])(CH3){1|C<4>,1|O<1>,2|C<3>}	C(C[6]C[6,6a]N[6]O)(H)3	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]CO){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	113.1620	0.000	1	113.1620	0.000	1	113.1620	0.000	1	113.1620	0.000	1	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:2:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:O-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(OC[6a])(CH3)	C(C[6]C[6,6a]C[6]O)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(OC[6a])(CH3){2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]O)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|O<1>,2|C<3>,3|H<1>}	108.3480	0.000	1	108.3480	0.000	1	108.3480	0.000	1	108.3480	0.000	1	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:2:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	C[6]-4:Cl-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CClHH)	C(C[6]C[6,6a]C[6a]O[6])(Cl)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]O[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CClHH){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6a]O[6])(Cl)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]O[6]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	106.4340	0.000	1	109.3013	24.442	3	109.3013	24.442	3	111.4973	12.133	9	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:2:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	C[6]-4:Cl-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CClHH)	C(C[6]C[6,6a]C[6a]O[6])(Cl)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]O[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CClHH){1|N<2>,3|H<1>,5|C<3>}	C(C[6]C[6,6a]C[6a]O[6])(Cl)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]O[6]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	106.4600	0.000	1	109.3013	24.442	3	109.3013	24.442	3	111.4973	12.133	9	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:2:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	C[6]-4:Cl-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CClHH)	C(C[6]C[6,6a]C[6a]O[6])(Cl)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]O[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CClHH){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6a]O[6])(Cl)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]O[6]C)(C[6a]C[6a]H){3|H<1>,4|C<3>}	115.0100	0.000	1	109.3013	24.442	3	109.3013	24.442	3	111.4973	12.133	9	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:2:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	C[6]-4:F-1:F-1:F-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CF3)	C(C[6]C[6,6a]C[6a]O[6])(F)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]O[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CF3){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>,3|C<3>}	C(C[6]C[6,6a]C[6a]O[6])(F)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]O[6]C)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	108.0880	0.000	1	108.0880	0.000	1	108.0880	0.000	1	111.4973	12.133	9	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:2:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(CH3)	C(C[6]C[6,6a]C[6a]O[6])(H)3	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(CH3){3|H<1>,6|C<3>}	C(C[6]C[6,6a]C[6a]O[6])(H)3	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	114.3200	0.000	1	113.2947	0.790	3	113.4968	0.525	5	111.4973	12.133	9	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:2:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(CH3)	C(C[6]C[6,6a]C[6a]O[6])(H)3	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(CH3){3|H<1>,6|C<3>}	C(C[6]C[6,6a]C[6a]O[6])(H)3	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	112.7820	0.047	2	113.2947	0.790	3	113.4968	0.525	5	111.4973	12.133	9	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:2:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CH3)	C(C[6]C[6,6a]C[6a]O[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CH3){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6a]O[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]C)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	113.8000	0.464	2	113.8000	0.215	2	113.4968	0.525	5	111.4973	12.133	9	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:2:4:	4:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	C[6]-4:C-4:F-1:F-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CCFF)	C(C[6]C[6,6a]C[6a]O[6])(CCHH)(F)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]O[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CCFF){1|C<4>,1|N<2>,1|N<3>,3|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6a]O[6])(CCHH)(F)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]O[6]C)(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	112.9010	0.000	1	112.9010	0.000	1	112.9010	0.000	1	112.9010	0.000	1	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(C[6]C[6]O)(CH3)	C(C[6]C[6,6a]C[6]2)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(C[6]C[6]O)(CH3){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C(C[6]C[6,6a]C[6]2)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2C){1|O<1>,3|H<1>,4|C<3>}	107.0130	0.088	2	107.0130	0.008	2	107.0130	0.008	2	109.1202	4.313	5	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:O-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N)(OAl2)(CH3)	C(C[6]C[6,6a]C[6]O)(H)3	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N)(OAl2)(CH3){1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]O)(H)3	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]CO){1|N<3>,2|H<1>,3|C<3>}	110.2130	0.000	1	110.2130	0.000	1	110.2130	0.000	1	109.1202	4.313	5	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]C)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)(CH3){1|H<1>,2|O<2>,6|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]C){3|H<1>,6|C<3>}	109.6090	0.000	1	110.6810	2.298	2	110.6810	2.298	2	109.1202	4.313	5	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]C)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)(CH3){1|O<2>,2|H<1>,6|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]C){3|H<1>,6|C<3>}	111.7530	0.000	1	110.6810	2.298	2	110.6810	2.298	2	109.1202	4.313	5	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6]-3:C[6a]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(C[6a]C[6a]2)(CH3)	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(C[6a]C[6a]2)(CH3){2|C<4>,3|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	112.1780	0.000	1	112.1780	0.000	1	112.1780	0.000	1	109.8068	4.765	5	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(CH3){1|O<2>,3|H<1>,5|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){3|H<1>,4|C<3>}	110.0880	0.000	1	110.0880	0.000	1	110.0223	2.096	3	109.8068	4.765	5	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]N)(CH3)	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]N)(CH3){4|H<1>,5|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	111.4360	0.000	1	111.4360	0.000	1	110.0223	2.096	3	109.8068	4.765	5	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]O)(CH3)	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]O)(CH3){1|O<2>,3|H<1>,5|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	108.5430	0.000	1	108.5430	0.000	1	110.0223	2.096	3	109.8068	4.765	5	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:C-4:	C[6]-4:F-1:F-1:F-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(CF3)	C(C[6]C[6,6a]C[6a]N[6])(F)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(CF3){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6a]N[6])(F)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	106.7890	0.000	1	106.7890	0.000	1	106.7890	0.000	1	109.8068	4.765	5	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(CH3)	C(C[6]C[5a,6]C[6,6a]C[6a])(H)3	C[6,6a](C[6]C[5a,6]C[6a]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(CH3){1|C<4>,3|H<1>,7|C<3>}	C(C[6]C[5a,6]C[6,6a]C[6a])(H)3	C[6,6a](C[6]C[5a,6]C[6a]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	106.8520	0.000	1	106.8520	0.000	1	106.8520	0.000	1	109.0124	6.423	10	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(CH3)	C(C[6]C[6,6a]2C[6a])(H)3	C[6,6a](C[6]C[6,6a]C[6a]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(CH3){1|N<3>,4|H<1>,6|C<3>}	C(C[6]C[6,6a]2C[6a])(H)3	C[6,6a](C[6]C[6,6a]C[6a]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	112.2810	0.000	1	109.2524	6.578	9	109.2524	6.578	9	109.0124	6.423	10	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(CH3)	C(C[6]C[6,6a]2C[6a])(H)3	C[6,6a](C[6]C[6,6a]C[6a]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(CH3){1|N<3>,4|H<1>,6|C<3>}	C(C[6]C[6,6a]2C[6a])(H)3	C[6,6a](C[6]C[6,6a]C[6a]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	108.8739	2.458	8	109.2524	6.578	9	109.2524	6.578	9	109.0124	6.423	10	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:3:4:	4:4:1:1:	3:3:4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6a,6a]-3:C[5a,6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[5a,6a])(C[6,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]2)(CCHH)	C(C[6]C[6,6a]2C[6a])(CCHH)(H)2	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a]C[5a,6a,6a]C[5a])(C[6]C[6,6a]C[6a]C)	C[6](C[6,6a]C[6,6a,6a]C[5a,6a])(C[6,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]2)(CCHH){1|C<4>,2|H<1>,8|C<3>}	C(C[6]C[6,6a]2C[6a])(CCHH)(H)2	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a]C[5a,6a,6a]C[5a])(C[6]C[6,6a]C[6a]C){1|O<1>,9|C<3>}	112.3470	0.000	1	112.3470	0.000	1	112.3470	0.000	1	117.5467	20.921	3	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:3:4:	4:4:1:1:	3:3:4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[5a,6a])(C[6,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]2)(CCHH)	C(C[6]C[6,6a]2C[6a])(CCHH)(H)2	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6a]C[6,6a,6a]C[6])(C[6]C[6,6a]C[6a]C)	C[6](C[6,6a]C[6,6a,6a]C[5a,6a])(C[6,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]2)(CCHH){1|C<4>,2|H<1>,8|C<3>}	C(C[6]C[6,6a]2C[6a])(CCHH)(H)2	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6a]C[6,6a,6a]C[6])(C[6]C[6,6a]C[6a]C){10|C<3>,1|C<4>}	119.3440	0.000	1	119.3440	0.000	1	119.3440	0.000	1	117.5467	20.921	3	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:3:4:	4:4:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C[6a]-3:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6,6a])(C[6]C[6,6a]O)(C[6a]C[6a]2)(CCHH)	C(C[6]C[6,6a]C[6a]C[6])(CCHH)(H)2	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6a]C[6,6a,6a]C[6])(C[6]C[6a]C[6]C)	C[6](C[6,6a]C[6,6a,6a]C[6,6a])(C[6]C[6,6a]O)(C[6a]C[6a]2)(CCHH){1|C<4>,2|H<1>,6|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(CCHH)(H)2	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6a]C[6,6a,6a]C[6])(C[6]C[6a]C[6]C){1|C<4>,1|O<1>,9|C<3>}	120.9490	0.000	1	120.9490	0.000	1	120.9490	0.000	1	117.5467	20.921	3	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:3:4:	4:4:1:1:	3:4:2:	C[6,6a]-3:C[6a]-3:C[6]-3:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6a,6a]-3:C[6]-4:N[6a]-2:	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6a]C[6a]2)(C[6]N[6]O)(CCHH)	C(C[6]C[6,6a]C[6a]C[6])(CC3)(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]C)(N[6a]C[6a,6a])	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6a]C[6a]2)(C[6]N[6]O)(CCHH){1|C<4>,2|H<1>,5|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(CC3)(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]C)(N[6a]C[6a,6a]){1|N<3>,1|O<1>,6|C<3>}	111.4220	0.000	1	111.4220	0.000	1	111.4220	0.000	1	111.4220	0.000	1	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:3:4:	4:4:1:1:	3:4:3:	C[6,6a]-3:C[6]-3:C[6a]-3:C-4:	C[6]-4:P-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]2)(CHHP)	C(C[6]C[6,6a]C[6a]C[6])(PC[6a]2O)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]2)(CHHP){3|H<1>,6|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(PC[6a]2O)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	109.3080	0.000	1	109.3080	0.000	1	109.3080	0.000	1	109.6475	0.231	2	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:3:4:	4:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6]H)(CCHH)	C(C[6]C[6,6a]C[6a]N[6])(CC[6a]2H)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6]H)(CCHH){1|O<2>,2|O<1>,3|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6a]N[6])(CC[6a]2H)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	109.9870	0.000	1	109.9870	0.000	1	109.9870	0.000	1	109.6475	0.231	2	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[5a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(CC[5a]HH)(H)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6,6a]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(CC[5a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6,6a]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	111.0810	0.000	1	111.0810	0.000	1	111.0810	0.000	1	111.0810	0.000	1	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])2(CH3)(H)	C(C[6]C[6,6a]2H)(H)3	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6]C[6,6a]CH)	C[6](C[6,6a]C[6a,6a]C[6,6a])2(CH3)(H){1|N<3>,6|C<3>}	C(C[6]C[6,6a]2H)(H)3	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6]C[6,6a]CH){3|H<1>,5|C<3>}	110.4180	0.297	2	110.4180	0.088	2	110.4180	0.088	2	111.9016	2.197	16	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)(H)	C(C[6]C[6,6a]C[6]H)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CH){3|C<3>,4|H<1>}	112.6820	0.000	1	112.6820	0.000	1	113.7945	2.918	4	111.9016	2.197	16	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CH3)(H)	C(C[6]C[6,6a]C[6]H)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	115.2445	0.343	2	114.1653	3.553	3	113.7945	2.918	4	111.9016	2.197	16	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CH3)(H)	C(C[6]C[6,6a]C[6]H)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CH3)(H){1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|N<2>,2|H<1>,2|O<1>}	112.0070	0.000	1	114.1653	3.553	3	113.7945	2.918	4	111.9016	2.197	16	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:1:1:1:	3:3:4:	C[6,6a]-3:N[6,6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(CH3)(H)	C(C[6]C[6,6a]N[6,6]H)(H)3	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]N[6,6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(CH3)(H){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6,6a]N[6,6]H)(H)3	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]N[6,6]CH){2|C<3>,2|C<4>,2|H<1>}	110.2980	0.000	1	110.2980	0.000	1	110.2980	0.000	1	111.9016	2.197	16	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:1:1:1:	3:3:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:Cl-1:Cl-1:Cl-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCl3)(H)	C(C[6]C[6,6a]N[6]H)(Cl)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCl3)(H){1|C<4>,3|H<1>,4|C<3>}	C(C[6]C[6,6a]N[6]H)(Cl)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,2|C<3>,4|H<1>}	111.3250	0.000	1	111.3250	0.000	1	111.3250	0.000	1	111.9016	2.197	16	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:1:1:1:	3:3:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]S)(CH3)(H)	C(C[6]C[6,6a]N[6]H)(H)3	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]S)(CH3)(H){1|H<1>,4|C<3>}	C(C[6]C[6,6a]N[6]H)(H)3	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH){1|H<1>,1|O<2>,1|S<4>,3|C<3>}	111.5760	0.000	1	111.5760	0.000	1	111.5985	0.248	8	111.9016	2.197	16	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:1:1:1:	3:3:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CH3)(H)	C(C[6]C[6,6a]N[6]H)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]H)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(C[6]N[6]CH){2|C<3>,2|H<1>,3|C<4>}	110.6530	0.000	1	110.6530	0.000	1	111.5985	0.248	8	111.9016	2.197	16	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:1:1:1:	3:3:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CH3)(H)	C(C[6]C[6,6a]N[6]H)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]H)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	111.1600	0.000	1	111.5855	0.362	2	111.5985	0.248	8	111.9016	2.197	16	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:1:1:1:	3:3:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CH3)(H)	C(C[6]C[6,6a]N[6]H)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CH3)(H){2|H<1>,3|C<3>}	C(C[6]C[6,6a]N[6]H)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){2|H<1>,4|C<3>}	112.0110	0.000	1	111.5855	0.362	2	111.5985	0.248	8	111.9016	2.197	16	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:1:1:1:	3:3:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CH3)(H)	C(C[6]C[6,6a]N[6]H)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]N[6]H)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	112.2550	0.000	1	112.2550	0.000	1	111.5985	0.248	8	111.9016	2.197	16	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:1:1:1:	3:3:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CH3)(H)	C(C[6]C[6,6a]N[6]H)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CH3)(H){2|H<1>,3|C<3>}	C(C[6]C[6,6a]N[6]H)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|S<4>,2|H<1>,3|C<3>}	111.7490	0.000	1	111.6965	0.006	2	111.5985	0.248	8	111.9016	2.197	16	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:1:1:1:	3:3:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CH3)(H)	C(C[6]C[6,6a]N[6]H)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CH3)(H){3|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]H)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<2>,1|C<3>,1|C<4>,1|S<4>,2|H<1>}	111.6440	0.000	1	111.6965	0.006	2	111.5985	0.248	8	111.9016	2.197	16	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:1:1:1:	3:3:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6]S)(CH3)(H)	C(C[6]C[6,6a]N[6]H)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6]S)(CH3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6]C[6,6a]N[6]H)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|Cl<1>,1|C<3>,1|H<1>,1|P<4>,1|S<4>}	111.7400	0.000	1	111.7400	0.000	1	111.5985	0.248	8	111.9016	2.197	16	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6]-4:F-1:F-1:F-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CF3)(H)	C(C[6]C[6,6a]2H)(F)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CF3)(H){1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2H)(F)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	111.2434	1.045	9	111.2434	1.093	9	110.8795	1.549	11	110.8795	1.549	11	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6]-4:F-1:F-1:F-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CF3)(H)	C(C[6]C[6,6a]2H)(F)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CF3)(H){1|H<1>,1|O<1>,2|C<3>,3|N<3>}	C(C[6]C[6,6a]2H)(F)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	108.9300	0.000	1	108.9300	0.000	1	110.8795	1.549	11	110.8795	1.549	11	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6]-4:F-1:F-1:F-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CF3)(H)	C(C[6]C[6,6a]2H)(F)3	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6,6a]CH)(C[6a]N[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(CF3)(H){1|H<1>,1|O<1>,2|C<3>,3|N<3>}	C(C[6]C[6,6a]2H)(F)3	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6,6a]CH)(C[6a]N[6a]O){1|H<1>,2|C<4>,3|C<3>}	109.5530	0.000	1	109.5530	0.000	1	110.8795	1.549	11	110.8795	1.549	11	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:2:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CC)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(H){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(CC)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	114.4300	0.496	3	114.4300	0.246	3	113.9460	1.101	4	112.0956	5.157	12	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:2:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CN)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(CN)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	112.4940	0.000	1	112.4940	0.000	1	113.9460	1.101	4	112.0956	5.157	12	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:2:1:1:	3:3:4:	C[6,6a]-3:N[6,6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6,6]C[6,6]C[6])(CHHO)(H)	C(C[6]C[6,6a]N[6,6]H)(OC)(H)2	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6a]C[6])(C[6]N[6,6]CH)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6,6]C[6,6]C[6])(CHHO)(H){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C(C[6]C[6,6a]N[6,6]H)(OC)(H)2	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6a]C[6])(C[6]N[6,6]CH){1|C<3>,1|H<1>,1|S<2>,2|O<2>,3|C<4>}	108.9410	0.000	1	108.9410	0.000	1	108.9410	0.000	1	112.0956	5.157	12	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:2:1:1:	3:3:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]H)(CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	109.6370	0.000	1	109.6370	0.000	1	109.6370	0.000	1	112.0956	5.157	12	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:2:1:1:	3:3:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHO)(H)	C(C[6]C[6,6a]N[6]H)(OC[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHO)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]H)(OC[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	108.5000	0.000	1	108.5000	0.000	1	111.7975	4.641	6	112.0956	5.157	12	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:2:1:1:	3:3:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHO)(H)	C(C[6]C[6,6a]N[6]H)(OH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHO)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C(C[6]C[6,6a]N[6]H)(OH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,1|H<1>,1|S<2>,2|C<3>,2|O<2>}	110.9635	1.531	2	110.9635	2.344	2	111.7975	4.641	6	112.0956	5.157	12	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:2:1:1:	3:3:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CHHO)(H)	C(C[6]C[6,6a]N[6]H)(OH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CHHO)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]H)(OH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	113.7030	0.006	2	113.7030	0.000	2	111.7975	4.641	6	112.0956	5.157	12	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:2:1:1:	3:3:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]H)(CHHO)(H)	C(C[6]C[6,6a]N[6]H)(OH)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]H)(CHHO)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C(C[6]C[6,6a]N[6]H)(OH)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,1|S<4>,3|H<1>}	112.9520	0.000	1	112.9520	0.000	1	111.7975	4.641	6	112.0956	5.157	12	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:2:1:1:	3:4:3:	C[6,6a]-3:N[5,6]-3:C-4:H-1:	C[6]-4:C-2:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(CCHH)(H)	C(C[6]C[6,6a]N[5,6]H)(CN)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(CCHH)(H){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C(C[6]C[6,6a]N[5,6]H)(CN)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	112.4355	0.409	2	112.4355	0.168	2	112.4355	0.168	2	112.4355	0.168	2	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:2:2:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C-2:C-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H)	C(C[6]C[6,6a]C[6]H)(CN)2(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(CN)2(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<2>,2|C<3>,2|H<1>}	111.8290	0.000	1	111.8290	0.000	1	111.8290	0.000	1	111.8290	0.000	1	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C-3:Cl-1:Cl-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(CCl2C)(H)	C(C[6]C[6,6a]C[6]H)(COS)(Cl)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(CCl2C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(COS)(Cl)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|C<3>,4|H<1>}	109.9280	0.000	1	109.9280	0.000	1	109.9280	0.000	1	111.6191	2.487	53	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){2|H<1>,3|C<3>}	110.9970	0.000	1	111.5447	0.226	3	112.1687	2.742	7	111.6191	2.487	53	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(H){1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){2|H<1>,3|C<3>}	111.8185	0.054	2	111.5447	0.226	3	112.1687	2.742	7	111.6191	2.487	53	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CHO)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(H){1|H<1>,1|N<3>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(CHO)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Cl<1>,2|H<1>,3|C<3>}	111.5030	0.000	1	111.5030	0.000	1	112.1687	2.742	7	111.6191	2.487	53	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CC[6]O)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(CC[6]O)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|N<3>,2|C<3>,4|H<1>}	110.8890	0.000	1	110.8890	0.000	1	112.1687	2.742	7	111.6191	2.487	53	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|N<3>,2|C<3>,4|H<1>}	112.4250	0.000	1	112.4250	0.000	1	112.1687	2.742	7	111.6191	2.487	53	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CCH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(CCH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	115.7300	0.000	1	115.7300	0.000	1	112.1687	2.742	7	111.6191	2.487	53	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CHHN)(H)	C(C[6]C[6,6a]C[6]H)(NOO)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CHHN)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(NOO)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,1|C<2>,1|H<1>,2|C<3>}	113.0405	0.967	2	112.8270	0.604	3	112.4560	0.595	5	111.6191	2.487	53	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CHHN)(H)	C(C[6]C[6,6a]C[6]H)(NOO)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CHHN)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(NOO)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,1|H<1>,3|C<3>}	112.4000	0.000	1	112.8270	0.604	3	112.4560	0.595	5	111.6191	2.487	53	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(CHHN)(H)	C(C[6]C[6,6a]C[6]H)(NOO)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(CHHN)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(NOO)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	112.1640	0.000	1	111.8995	0.140	2	112.4560	0.595	5	111.6191	2.487	53	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(CHHN)(H)	C(C[6]C[6,6a]C[6]H)(NOO)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(CHHN)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(NOO)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){2|Cl<1>,1|N<3>,2|C<3>}	111.6350	0.000	1	111.8995	0.140	2	112.4560	0.595	5	111.6191	2.487	53	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:F-1:F-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCFF)(H)	C(C[6]C[6,6a]N[6]H)(CNO)(F)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCFF)(H){1|C<4>,3|H<1>,4|C<3>}	C(C[6]C[6,6a]N[6]H)(CNO)(F)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,2|C<3>,4|H<1>}	109.6590	0.000	1	109.6590	0.000	1	109.6590	0.000	1	111.6191	2.487	53	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6]C)(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(CCO)(H)2	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6]C[6a])(C[6]N[6]CH)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6]C)(CCHH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C(C[6]C[6,6a]N[6]H)(CCO)(H)2	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6]C[6a])(C[6]N[6]CH){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	111.9210	0.000	1	111.9210	0.000	1	111.9210	0.000	1	111.6191	2.487	53	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(COO)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(CCHH)(H){1|H<1>,2|C<4>,3|C<3>}	C(C[6]C[6,6a]N[6]H)(COO)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	115.3710	0.000	1	115.3710	0.000	1	112.0050	2.233	25	111.6191	2.487	53	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(CNO)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]N[6]H)(CNO)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,2|H<1>,3|C<3>}	112.7340	0.000	1	112.7340	0.000	1	112.0050	2.233	25	111.6191	2.487	53	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(CCO)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(CCHH)(H){1|H<1>,4|C<3>}	C(C[6]C[6,6a]N[6]H)(CCO)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	111.8710	0.000	1	111.8710	0.000	1	112.0050	2.233	25	111.6191	2.487	53	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[6a])(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(CNO)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[6a])(CCHH)(H){1|H<1>,6|C<3>}	C(C[6]C[6,6a]N[6]H)(CNO)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH){2|H<1>,4|C<3>}	109.8460	0.000	1	109.8460	0.000	1	112.0050	2.233	25	111.6191	2.487	53	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]N)(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(CCH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]N)(CCHH)(H){1|H<1>,4|C<3>}	C(C[6]C[6,6a]N[6]H)(CCH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH){1|N<3>,2|H<1>,3|C<3>}	115.0710	0.000	1	115.0710	0.000	1	112.0050	2.233	25	111.6191	2.487	53	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(CCC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]H)(CCC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,2|C<3>,4|H<1>}	111.9480	0.000	1	111.9480	0.000	1	112.0050	2.233	25	111.6191	2.487	53	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(CCO)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H){1|H<1>,4|C<3>}	C(C[6]C[6,6a]N[6]H)(CCO)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){3|C<3>,3|H<1>}	111.1840	0.000	1	111.1840	0.000	1	112.0050	2.233	25	111.6191	2.487	53	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(CCH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(CCHH)(H){2|H<1>,3|C<3>}	C(C[6]C[6,6a]N[6]H)(CCH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|N<3>,2|C<3>,3|H<1>}	110.9310	0.000	1	110.9310	0.000	1	112.0050	2.233	25	111.6191	2.487	53	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(COO)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCHH)(H){1|H<1>,4|C<3>}	C(C[6]C[6,6a]N[6]H)(COO)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	111.5160	0.000	1	111.5160	0.000	1	112.0050	2.233	25	111.6191	2.487	53	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(CCO)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H){1|H<1>,6|C<3>}	C(C[6]C[6,6a]N[6]H)(CCO)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|F<1>,2|H<1>,3|C<3>}	110.9640	0.000	1	110.9640	0.000	1	112.0050	2.233	25	111.6191	2.487	53	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(CCO)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H){1|H<1>,1|N<2>,5|C<3>}	C(C[6]C[6,6a]N[6]H)(CCO)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){2|H<1>,3|C<3>}	109.8800	0.000	1	109.8800	0.000	1	112.0050	2.233	25	111.6191	2.487	53	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(CC[6a]O)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H){1|H<1>,1|N<2>,5|C<3>}	C(C[6]C[6,6a]N[6]H)(CC[6a]O)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CH){2|H<1>,3|C<3>}	111.2190	3.268	2	112.0990	7.664	3	112.0050	2.233	25	111.6191	2.487	53	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(CC[6a]O)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H){1|H<1>,1|N<3>,1|S<1>,4|C<3>}	C(C[6]C[6,6a]N[6]H)(CC[6a]O)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CH){3|C<3>,3|H<1>}	113.8590	0.000	1	112.0990	7.664	3	112.0050	2.233	25	111.6191	2.487	53	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(CC[6a]O)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C(C[6]C[6,6a]N[6]H)(CC[6a]O)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH){2|H<1>,3|C<3>}	113.4350	0.000	1	113.4350	0.000	1	112.0050	2.233	25	111.6191	2.487	53	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(COO)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C(C[6]C[6,6a]N[6]H)(COO)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CH){3|C<3>,3|H<1>}	111.6925	0.675	2	111.8783	0.254	4	112.0050	2.233	25	111.6191	2.487	53	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(COO)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H){1|H<1>,1|N<3>,1|S<1>,4|C<3>}	C(C[6]C[6,6a]N[6]H)(COO)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CH){3|C<3>,3|H<1>}	112.0640	0.410	2	111.8783	0.254	4	112.0050	2.233	25	111.6191	2.487	53	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]Si[6])(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(CCH)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]Si[6])(CCHH)(H){1|H<1>,2|O<2>,5|C<3>}	C(C[6]C[6,6a]N[6]H)(CCH)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|Si<4>,2|C<3>,2|H<1>}	111.1720	0.000	1	111.1720	0.000	1	112.0050	2.233	25	111.6191	2.487	53	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]C)(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(COO)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]C)(CCHH)(H){1|H<1>,4|C<3>}	C(C[6]C[6,6a]N[6]H)(COO)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	111.6110	0.000	1	111.6110	0.000	1	112.0050	2.233	25	111.6191	2.487	53	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]S)(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(COO)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]S)(CCHH)(H){1|H<1>,3|C<3>}	C(C[6]C[6,6a]N[6]H)(COO)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|N<2>,1|S<4>,2|C<3>,2|H<1>}	112.6420	0.000	1	112.6420	0.000	1	112.0050	2.233	25	111.6191	2.487	53	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]H)(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(CCO)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]H)(CCHH)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C(C[6]C[6,6a]N[6]H)(CCO)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|Cl<1>,1|C<3>,1|S<4>,2|H<1>}	112.1990	0.607	2	112.1990	0.368	2	112.0050	2.233	25	111.6191	2.487	53	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]H)(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(CC[6a]O)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]H)(CCHH)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C(C[6]C[6,6a]N[6]H)(CC[6a]O)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,1|S<4>,3|H<1>}	111.7410	0.000	1	111.7410	0.000	1	112.0050	2.233	25	111.6191	2.487	53	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[5a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC[5a]HH)(H)	C(C[6]C[6,6a]N[6]H)(C[5a]C[5a]N[5a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC[5a]HH)(H){1|C<4>,3|H<1>,4|C<3>}	C(C[6]C[6,6a]N[6]H)(C[5a]C[5a]N[5a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,2|C<3>,4|H<1>}	109.9210	0.000	1	109.9210	0.000	1	109.9210	0.000	1	111.6191	2.487	53	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(CC[6]HH)(H)	C(C[6]C[6,6a]N[6]H)(C[6]C[6]2)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]O)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(CC[6]HH)(H){1|O<2>,4|C<3>}	C(C[6]C[6,6a]N[6]H)(C[6]C[6]2)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]O)(C[6]N[6]CH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	109.2640	0.000	1	109.2640	0.000	1	109.2640	0.000	1	111.6191	2.487	53	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]HH)(H)	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	111.8110	1.435	3	110.9843	2.069	7	110.6847	2.273	11	111.6191	2.487	53	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]HH)(H)	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,2|C<4>,4|H<1>}	109.4575	1.167	2	110.9843	2.069	7	110.6847	2.273	11	111.6191	2.487	53	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]HH)(H)	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	111.2710	0.238	2	110.9843	2.069	7	110.6847	2.273	11	111.6191	2.487	53	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]HH)(H)	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]N[6]CH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	109.5400	0.129	2	109.5400	0.017	2	110.6847	2.273	11	111.6191	2.487	53	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CC[6a]HH)(H)	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CC[6a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,1|C<4>,1|O<2>,1|S<3>,3|H<1>}	108.9060	0.000	1	108.9060	0.000	1	110.6847	2.273	11	111.6191	2.487	53	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]C)(CC[6a]HH)(H)	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]C)(CC[6a]HH)(H){1|H<1>,3|C<3>}	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	112.6560	0.000	1	112.6560	0.000	1	110.6847	2.273	11	111.6191	2.487	53	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:1:1:	3:4:2:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CC[6a]HH)(H)	C(C[6]C[6,6a]2H)(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CC[6a]HH)(H){1|C<4>,1|H<1>,4|C<3>}	C(C[6]C[6,6a]2H)(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(N[6a]C[6a]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	112.2540	0.000	1	111.6972	0.299	4	111.6972	0.299	4	111.6972	0.299	4	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:1:1:	3:4:2:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CC[6a]HH)(H)	C(C[6]C[6,6a]2H)(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CC[6a]HH)(H){1|C<4>,1|H<1>,4|C<3>}	C(C[6]C[6,6a]2H)(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	111.5117	0.492	3	111.6972	0.299	4	111.6972	0.299	4	111.6972	0.299	4	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:1:1:	3:4:3:	C[6,6a]-3:C[5,6]-3:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(CHHN)(H)	C(C[6]C[6,6a]C[5,6]H)(NOO)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(CHHN)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C(C[6]C[6,6a]C[5,6]H)(NOO)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	114.3800	0.000	1	114.3800	0.000	1	114.3800	0.000	1	111.7343	7.397	42	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:1:1:	3:4:3:	C[6,6a]-3:C[6,6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CCHH)(H)	C(C[6]C[6,6a]C[6,6]H)(CCO)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C(C[6]C[6,6a]C[6,6]H)(CCO)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	109.7070	0.000	1	109.7070	0.000	1	109.7070	0.000	1	111.7343	7.397	42	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:1:1:	3:4:3:	C[6,6a]-3:C[6,6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CC[6a]HH)(H)	C(C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CC[6a]HH)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	111.4352	0.422	5	111.4352	0.178	5	111.8067	1.069	10	111.7343	7.397	42	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:1:1:	3:4:3:	C[6,6a]-3:C[6,6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(CC[6a]HH)(H)	C(C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(CC[6a]HH)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C(C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	110.6910	0.000	1	112.1782	1.882	5	111.8067	1.069	10	111.7343	7.397	42	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:1:1:	3:4:3:	C[6,6a]-3:C[6,6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(CC[6a]HH)(H)	C(C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(CC[6a]HH)(H){1|H<1>,2|C<4>,4|C<3>}	C(C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	112.5500	1.260	4	112.1782	1.882	5	111.8067	1.069	10	111.7343	7.397	42	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H)	C(C[6]C[6,6a]2H)(CCO)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H){1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2H)(CCO)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	109.5590	0.642	2	109.5590	0.412	2	113.5669	22.169	10	111.7343	7.397	42	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H)	C(C[6]C[6,6a]2H)(COO)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C(C[6]C[6,6a]2H)(COO)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	109.9985	0.886	2	109.9985	0.785	2	113.5669	22.169	10	111.7343	7.397	42	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H)	C(C[6]C[6,6a]2H)(COO)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C(C[6]C[6,6a]2H)(COO)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	110.7100	0.536	2	110.7100	0.287	2	113.5669	22.169	10	111.7343	7.397	42	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H)	C(C[6]C[6,6a]2H)(COO)(H)2	C[6,6a](C[6,6a]C[6a]I[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H){1|I<2>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2H)(COO)(H)2	C[6,6a](C[6,6a]C[6a]I[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	118.7835	2.256	4	118.7835	5.088	4	113.5669	22.169	10	111.7343	7.397	42	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6]HH)(H)	C(C[6]C[6,6a]2H)(C[6]C[6]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6]HH)(H){1|H<1>,1|O<2>,5|C<3>}	C(C[6]C[6,6a]2H)(C[6]C[6]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|O<1>,2|O<2>,3|C<3>}	111.1300	0.000	1	111.1300	0.000	1	108.9645	9.379	2	111.7343	7.397	42	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6]HH)(H)	C(C[6]C[6,6a]2H)(C[6]C[6]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6]HH)(H){1|H<1>,1|O<2>,5|C<3>}	C(C[6]C[6,6a]2H)(C[6]C[6]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	106.7990	0.000	1	106.7990	0.000	1	108.9645	9.379	2	111.7343	7.397	42	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CC[6a]HH)(H)	C(C[6]C[6,6a]2H)(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CC[6a]HH)(H){1|C<4>,1|H<1>,4|C<3>}	C(C[6]C[6,6a]2H)(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	110.8407	0.727	4	110.8407	0.529	4	110.8999	0.792	16	111.7343	7.397	42	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H)	C(C[6]C[6,6a]2H)(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C(C[6]C[6,6a]2H)(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	110.2200	0.000	1	110.4009	0.216	7	110.8999	0.792	16	111.7343	7.397	42	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H)	C(C[6]C[6,6a]2H)(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]2H)(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	110.4380	0.522	3	110.4009	0.216	7	110.8999	0.792	16	111.7343	7.397	42	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H)	C(C[6]C[6,6a]2H)(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2H)(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){3|H<1>,4|C<3>}	110.5510	0.786	2	110.4009	0.216	7	110.8999	0.792	16	111.7343	7.397	42	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H)	C(C[6]C[6,6a]2H)(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H){1|H<1>,1|O<2>,5|C<3>}	C(C[6]C[6,6a]2H)(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	110.1700	0.000	1	110.4009	0.216	7	110.8999	0.792	16	111.7343	7.397	42	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H)	C(C[6]C[6,6a]2H)(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H){1|H<1>,1|O<2>,5|C<3>}	C(C[6]C[6,6a]2H)(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	111.2220	0.000	1	111.2220	0.000	1	110.8999	0.792	16	111.7343	7.397	42	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H)	C(C[6]C[6,6a]2H)(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]2H)(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	111.2027	0.552	3	111.2027	0.305	3	110.8999	0.792	16	111.7343	7.397	42	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H)	C(C[6]C[6,6a]2H)(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]N)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C(C[6]C[6,6a]2H)(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]N){1|C<4>,2|H<1>,3|C<3>}	113.3990	0.000	1	113.3990	0.000	1	110.8999	0.792	16	111.7343	7.397	42	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:1:1:	3:4:3:	C[6,6a]-3:N[5,6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(CCHH)(H)	C(C[6]C[6,6a]N[5,6]H)(COO)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(CCHH)(H){1|N<2>,1|S<2>,3|C<3>,3|H<1>}	C(C[6]C[6,6a]N[5,6]H)(COO)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]CH)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	112.1720	0.000	1	112.1720	0.000	1	111.3445	1.370	2	111.7343	7.397	42	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:1:1:	3:4:3:	C[6,6a]-3:N[5,6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]N[5,6]C[5])(CCHH)(H)	C(C[6]C[6,6a]N[5,6]H)(CCO)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]N[5,6]C[5])(CCHH)(H){1|H<1>,3|C<4>,4|C<3>}	C(C[6]C[6,6a]N[5,6]H)(CCO)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]CH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	110.5170	0.000	1	110.5170	0.000	1	111.3445	1.370	2	111.7343	7.397	42	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:2:1:	3:4:3:	C[5a,6]-3:C[6,6a]-3:C-4:H-1:	C[6]-4:C[6a]-3:N-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(CC[6a]HN)(H)	C(C[6]C[5a,6]C[6,6a]H)(C[6a]C[6a]2)(NN)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a,6]CH)(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(CC[6a]HN)(H){1|H<1>,2|N<3>,4|C<3>}	C(C[6]C[5a,6]C[6,6a]H)(C[6a]C[6a]2)(NN)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a,6]CH)(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>}	110.2120	0.000	1	110.2120	0.000	1	110.2120	0.000	1	110.2120	0.000	1	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:3:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H)	C(C[6]C[6,6a]C[6]H)(CCO)(COO)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(CCO)(COO)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,1|H<1>,3|C<3>}	113.2090	0.000	1	113.2870	0.016	4	112.7375	2.678	6	112.0155	2.051	13	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:3:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H)	C(C[6]C[6,6a]C[6]H)(CCO)(COO)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(CCO)(COO)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Cl<1>,1|H<1>,3|C<3>}	113.2150	0.000	1	113.2870	0.016	4	112.7375	2.678	6	112.0155	2.051	13	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:3:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H)	C(C[6]C[6,6a]C[6]H)(CCO)(COO)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(CCO)(COO)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|H<1>,1|O<2>,3|C<3>}	113.2480	0.000	1	113.2870	0.016	4	112.7375	2.678	6	112.0155	2.051	13	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:3:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H)	C(C[6]C[6,6a]C[6]H)(CCO)(COO)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(CCO)(COO)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){2|H<1>,3|C<3>}	113.4760	0.000	1	113.2870	0.016	4	112.7375	2.678	6	112.0155	2.051	13	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:3:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H)	C(C[6]C[6,6a]C[6]H)(COO)2(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(COO)2(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){2|Br<1>,1|C<2>,2|C<3>}	113.8430	0.000	1	113.8430	0.000	1	112.7375	2.678	6	112.0155	2.051	13	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:3:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH)(H)	C(C[6]C[6,6a]C[6]H)(COO)2(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(COO)2(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){3|H<1>,4|C<3>}	109.4340	0.000	1	109.4340	0.000	1	112.7375	2.678	6	112.0155	2.051	13	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:3:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]CH)(H)	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(COO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]CH)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(COO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|N<3>,2|C<3>,4|H<1>}	112.5820	0.000	1	112.5820	0.000	1	112.5820	0.000	1	112.0155	2.051	13	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCCH)(H)	C(C[6]C[6,6a]N[6]H)(COO)2(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCCH)(H){3|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]H)(COO)2(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,1|C<4>,1|O<1>,1|S<4>,2|H<1>}	111.5650	0.000	1	111.5650	0.000	1	111.5650	0.000	1	112.0155	2.051	13	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:C-3:H-1:	C[6,6a]-3:C[5,6a]-3:C[6]-4:	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6a]C)(CC[6a]CH)(H)	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CC[6a]O)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]O[5])(C[6]N[6]CH)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6a]C)(CC[6a]CH)(H){1|O<2>,4|C<3>}	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CC[6a]O)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]O[5])(C[6]N[6]CH){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	110.5210	0.486	2	110.5210	0.237	2	110.5210	0.237	2	112.0155	2.051	13	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]CH)(H)	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]CH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,2|C<3>,4|H<1>}	112.5380	0.000	1	112.5380	0.000	1	111.5000	2.155	2	112.0155	2.051	13	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC[6a]CH)(H)	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CNO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC[6a]CH)(H){1|C<4>,3|H<1>,4|C<3>}	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CNO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,2|C<3>,4|H<1>}	110.4620	0.000	1	110.4620	0.000	1	111.5000	2.155	2	112.0155	2.051	13	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:N-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(CCHN)(H)	C(C[6]C[6,6a]N[6]H)(NC[6a]H)(COO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(CCHN)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]H)(NC[6a]H)(COO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	111.5880	0.000	1	111.5880	0.000	1	111.5880	0.000	1	112.0155	2.051	13	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:3:3:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:N-3:C-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CC[6a]CN)(H)	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(NC[6a]H)(COO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CC[6a]CN)(H){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(NC[6a]H)(COO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|H<1>,3|C<3>}	111.6180	0.225	2	111.6180	0.051	2	111.6180	0.051	2	111.6180	0.051	2	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:3:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6]-4:N-3:N-3:N-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CN3)(H)	C(C[6]C[6,6a]2H)(NOO)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CN3)(H){1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2H)(NOO)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	112.8570	1.264	2	112.8570	1.598	2	112.8570	1.598	2	112.8570	1.598	2	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:4:1:	3:3:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(CC[6a]CH)(H)	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(CC[6a]CH)(H){1|H<1>,4|C<3>}	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	111.2670	0.000	1	111.2670	0.000	1	111.2487	1.060	3	111.2487	1.060	3	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:3:4:1:	3:3:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC[6a]CH)(H)	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC[6a]CH)(H){1|C<4>,3|H<1>,4|C<3>}	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,2|C<3>,4|H<1>}	111.2395	1.456	2	111.2395	2.120	2	111.2487	1.060	3	111.2487	1.060	3	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:4:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]N[6]O)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CH3)(H)2	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]N[6]O)(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(CH3)(H)2	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	114.5100	0.243	3	114.5100	0.059	3	114.5100	0.059	3	112.3803	2.710	12	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:4:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(CCHH)(H){1|C<4>,1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	112.1840	0.000	2	112.1840	0.000	2	111.6260	0.934	3	112.3803	2.710	12	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:4:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(H){1|C<4>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	110.5100	0.000	1	110.5100	0.000	1	111.6260	0.934	3	112.3803	2.710	12	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:4:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]O)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6]C[6]CH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]O)(CCHH)(H){1|N<3>,4|C<3>}	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6]C[6]CH){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	110.2360	0.000	1	110.2360	0.000	1	110.2360	0.000	1	112.3803	2.710	12	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:4:1:1:	3:3:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]H)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	112.8575	1.324	2	112.0020	3.073	3	111.9840	1.781	5	112.3803	2.710	12	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:4:1:1:	3:3:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H){2|H<1>,3|C<3>}	C(C[6]C[6,6a]N[6]H)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){2|H<1>,4|C<3>}	110.2910	0.000	1	112.0020	3.073	3	111.9840	1.781	5	112.3803	2.710	12	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:4:1:1:	3:3:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(CC[6a]HO)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]H)(CC[6a]HO)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,2|C<4>,4|H<1>}	111.2580	0.000	1	111.2580	0.000	1	111.9840	1.781	5	112.3803	2.710	12	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:4:1:1:	3:3:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(CH3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCHH)(H){3|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]H)(CH3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	112.6560	0.000	1	112.6560	0.000	1	111.9840	1.781	5	112.3803	2.710	12	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:4:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H)	C(C[6]C[6,6a]2H)(CCCH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C(C[6]C[6,6a]2H)(CCCH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	110.6230	0.000	1	110.6230	0.000	1	114.6739	5.213	32	114.7380	4.686	36	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:4:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H)	C(C[6]C[6,6a]2H)(CCCH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C(C[6]C[6,6a]2H)(CCCH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	109.5810	0.000	1	109.5810	0.000	1	114.6739	5.213	32	114.7380	4.686	36	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:4:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H)	C(C[6]C[6,6a]2H)(CCCN)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H){1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2H)(CCCN)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	110.2122	0.627	4	110.2122	0.393	4	114.6739	5.213	32	114.7380	4.686	36	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:4:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H)	C(C[6]C[6,6a]2H)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H){1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2H)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6,6a]H){1|H<1>,3|C<3>,3|C<4>}	115.6095	0.692	8	115.6095	0.478	8	114.6739	5.213	32	114.7380	4.686	36	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:4:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H)	C(C[6]C[6,6a]2H)(CH3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H){1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2H)(CH3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6,6a]H){1|C<4>,2|H<1>,4|C<3>}	115.8359	0.680	14	115.7576	0.409	18	114.6739	5.213	32	114.7380	4.686	36	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:4:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H)	C(C[6]C[6,6a]2H)(CH3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H){1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2H)(CH3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6,6a]H){1|H<1>,3|C<3>,3|C<4>}	115.4835	0.433	4	115.7576	0.409	18	114.6739	5.213	32	114.7380	4.686	36	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:4:1:1:	3:4:3:	C[6,6a]-3:N[6,6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(CCHH)(H)	C(C[6]C[6,6a]N[6,6]H)(CHHO)(H)2	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(CCHH)(H){1|N<3>,3|H<1>,4|C<3>}	C(C[6]C[6,6a]N[6,6]H)(CHHO)(H)2	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]CH)(C[6a]C[6a]H){1|H<1>,2|C<3>,3|C<4>}	115.2510	0.639	4	115.2510	0.408	4	115.2510	0.408	4	114.7380	4.686	36	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:4:2:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHO)(H)	C(C[6]C[6,6a]C[6]H)(CCHO)(OC)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHO)(H){1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(CCHO)(OC)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|H<1>,1|O<2>,3|C<3>}	108.6520	0.000	1	108.6520	0.000	1	108.6520	0.000	1	116.0915	110.692	2	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:4:2:1:	3:3:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CCHO)(H)	C(C[6]C[6,6a]N[6]H)(CCHO)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CCHO)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]H)(CCHO)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	123.5310	0.000	1	123.5310	0.000	1	123.5310	0.000	1	116.0915	110.692	2	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:4:3:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH)(H)	C(C[6]C[6,6a]C[6]H)(CCHH)(CCO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(CCHH)(CCO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|N<3>,2|C<3>,4|H<1>}	113.6880	1.552	3	113.6880	2.410	3	113.6880	2.410	3	113.1432	2.793	4	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:4:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCCH)(H)	C(C[6]C[6,6a]N[6]H)(CC[6a]HH)(CCO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCCH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]H)(CC[6a]HH)(CCO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,2|C<4>,4|H<1>}	111.5090	0.000	1	111.5090	0.000	1	111.5090	0.000	1	113.1432	2.793	4	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:4:3:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[5]-4:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CC[5]CH)(H)	C(C[5]C[5,6a]C[5]H)(C[6]C[6,6a]2H)(CC[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[5]CH)(H){2|H<1>,5|C<3>}	C(C[5]C[5,6a]C[5]H)(C[6]C[6,6a]2H)(CC[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	109.4430	0.116	2	109.4430	0.013	2	109.4430	0.013	2	109.4430	0.013	2	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:4:3:3:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:O-1:	C[6]-4:C-4:C-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCCN)(O)	C(C[6]C[6,6a]C[6]O)(CH3)(COO)(NCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCCN)(O){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]O)(CH3)(COO)(NCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	111.7860	0.000	1	111.7860	0.000	1	111.7860	0.000	1	111.7860	0.000	1	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:4:4:1:	3:3:4:	C[6,6a]-3:C[6,6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6,6]C[6,6]C[6])(CCCH)(H)	C(C[6]C[6,6a]C[6,6]H)(CH3)2(H)	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6a]O[6])(C[6]C[6,6]CH)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6,6]C[6,6]C[6])(CCCH)(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C(C[6]C[6,6a]C[6,6]H)(CH3)2(H)	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6a]O[6])(C[6]C[6,6]CH){2|C<4>,4|C<3>}	113.2560	0.000	1	113.2560	0.000	1	113.2560	0.000	1	113.1458	4.312	5	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:4:4:1:	3:3:4:	C[6,6a]-3:C[6,6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CCCH)(H)	C(C[6]C[6,6a]C[6,6]H)(CH3)2(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6,6a]O)(C[6]C[6,6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CCCH)(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C(C[6]C[6,6a]C[6,6]H)(CH3)2(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6,6a]O)(C[6]C[6,6]CH){1|C<4>,4|C<3>}	109.9020	0.000	1	109.9020	0.000	1	109.9020	0.000	1	113.1458	4.312	5	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:4:4:1:	3:3:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCCH)(H)	C(C[6]C[6,6a]N[6]H)(CH3)2(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCCH)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6,6a]N[6]H)(CH3)2(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CH){2|C<3>,2|C<4>,2|H<1>}	113.5900	1.131	2	113.5900	1.280	2	114.1903	1.721	3	113.1458	4.312	5	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:4:4:1:	3:3:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCCH)(H)	C(C[6]C[6,6a]N[6]H)(CH3)2(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCCH)(H){1|H<1>,1|S<2>,3|C<3>}	C(C[6]C[6,6a]N[6]H)(CH3)2(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|S<4>,2|C<3>,2|H<1>}	115.3910	0.000	1	115.3910	0.000	1	114.1903	1.721	3	113.1458	4.312	5	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:4:4:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CCCH)(H)	C(C[6]C[6,6a]2H)(CCHH)(CHHO)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])2(CCCH)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C(C[6]C[6,6a]2H)(CCHH)(CHHO)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]C){2|H<1>,3|C<3>}	109.4920	0.694	2	109.4920	0.482	2	111.5742	3.335	6	111.5742	3.335	6	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:4:4:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CCCH)(H)	C(C[6]C[6,6a]2H)(CCHH)(CHHO)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCCH)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C(C[6]C[6,6a]2H)(CCHH)(CHHO)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	113.3910	0.865	2	113.3910	0.749	2	111.5742	3.335	6	111.5742	3.335	6	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:1:	4:4:4:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CCCH)(H)	C(C[6]C[6,6a]2H)(CC[6a]CH)(CHHO)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCCH)(H){1|O<2>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2H)(CC[6a]CH)(CHHO)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	111.8395	0.179	2	111.8395	0.032	2	111.5742	3.335	6	111.5742	3.335	6	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:2:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	C(C[6]C[6,6a]2O)(H)3	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CH3)(OH){1|H<1>,1|N<2>,5|C<3>}	C(C[6]C[6,6a]2O)(H)3	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	109.1260	0.724	4	109.1886	0.257	8	109.1886	0.257	8	109.3858	1.674	16	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:2:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	C(C[6]C[6,6a]2O)(H)3	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CH3)(OH){1|H<1>,1|N<3>,5|C<3>}	C(C[6]C[6,6a]2O)(H)3	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	109.2512	0.252	4	109.1886	0.257	8	109.1886	0.257	8	109.3858	1.674	16	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:2:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)(OC)	C(C[6]C[6,6a]C[6]O)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)(OC){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]O)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	112.2930	0.000	1	112.2930	0.000	1	109.2785	4.223	4	109.3858	1.674	16	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:2:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)(OH)	C(C[6]C[6,6a]C[6]O)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)(OH){2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]O)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	107.8340	0.000	1	108.2737	0.276	3	109.2785	4.223	4	109.3858	1.674	16	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:2:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)(OH)	C(C[6]C[6,6a]C[6]O)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)(OH){2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]O)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	108.4935	0.513	2	108.2737	0.276	3	109.2785	4.223	4	109.3858	1.674	16	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:2:	4:1:1:1:	3:3:4:	C[6,6a]-3:N[6]-3:C-4:C-2:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CH3)(CN)	C(C[6]C[6,6a]N[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CH3)(CN){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CC){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	108.8170	1.471	2	108.8170	2.163	2	108.8170	2.163	2	109.3858	1.674	16	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:2:	4:1:1:1:	3:3:4:	C[6,6a]-3:N[6]-3:C-4:O-2:	C[6]-4:F-1:F-1:F-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CF3)(OC)	C(C[6]C[6,6a]N[6]O)(F)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CF3)(OC){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[6]C[6,6a]N[6]O)(F)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CO){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	110.9575	1.592	2	110.9575	2.534	2	110.9575	2.534	2	109.3858	1.674	16	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:2:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	C[6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CF3)(OH)	C(C[6]C[6,6a]2O)(F)3	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CF3)(OH){1|H<1>,1|O<1>,2|C<3>,3|N<3>}	C(C[6]C[6,6a]2O)(F)3	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	109.1670	0.000	1	109.1670	0.000	1	109.1670	0.000	1	109.4686	0.970	14	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:2:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	C[6]-4:F-1:F-1:F-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CF3)(OH)	C(C[6]C[6,6a]2O)(F)3	C[6,6a](C[6,6a]N[5,6]N[6a])(C[6]C[6,6a]CO)(C[6a]N[6a]O)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CF3)(OH){1|H<1>,1|O<1>,2|C<3>,3|N<3>}	C(C[6]C[6,6a]2O)(F)3	C[6,6a](C[6,6a]N[5,6]N[6a])(C[6]C[6,6a]CO)(C[6a]N[6a]O){3|C<3>,3|C<4>}	108.3910	0.000	1	108.3910	0.000	1	108.3910	0.000	1	109.4686	0.970	14	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:2:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	C(C[6]C[6,6a]2O)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CH3)(OH){1|H<1>,1|N<2>,5|C<3>}	C(C[6]C[6,6a]2O)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	108.8928	0.363	4	109.2926	0.243	8	109.2172	0.327	10	109.4686	0.970	14	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:2:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	C(C[6]C[6,6a]2O)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CH3)(OH){1|H<1>,1|N<3>,5|C<3>}	C(C[6]C[6,6a]2O)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	109.6925	0.092	4	109.2926	0.243	8	109.2172	0.327	10	109.4686	0.970	14	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:2:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)(OH)	C(C[6]C[6,6a]2O)(H)3	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)(OH){2|H<1>,5|C<3>}	C(C[6]C[6,6a]2O)(H)3	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	108.2020	0.000	1	108.2020	0.000	1	109.2172	0.327	10	109.4686	0.970	14	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:2:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)(OH)	C(C[6]C[6,6a]2O)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)(OH){2|H<1>,5|C<3>}	C(C[6]C[6,6a]2O)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	109.6290	0.000	1	109.6290	0.000	1	109.2172	0.327	10	109.4686	0.970	14	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:2:	4:1:1:1:	3:4:3:	C[6,6a]-3:N[5a,6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(CH3)(OH)	C(C[6]C[6,6a]N[5a,6]O)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a,6]CO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(CH3)(OH){1|H<1>,5|C<3>}	C(C[6]C[6,6a]N[5a,6]O)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a,6]CO)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	111.1050	0.000	1	111.4155	0.193	2	111.4155	0.193	2	109.4686	0.970	14	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:2:	4:1:1:1:	3:4:3:	C[6,6a]-3:N[5a,6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(CH3)(OH)	C(C[6]C[6,6a]N[5a,6]O)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a,6]CO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(CH3)(OH){1|H<1>,5|C<3>}	C(C[6]C[6,6a]N[5a,6]O)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a,6]CO)(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>}	111.7260	0.000	1	111.4155	0.193	2	111.4155	0.193	2	109.4686	0.970	14	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:2:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	C[6]-4:C-3:H-1:H-1:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CCHH)(OH)	C(C[6]C[6,6a]2O)(CClC)(H)2	C[6,6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CCHH)(OH){1|H<1>,1|O<2>,5|C<3>}	C(C[6]C[6,6a]2O)(CClC)(H)2	C[6,6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO){1|O<1>,1|O<2>,5|C<3>}	109.6560	0.000	1	109.6560	0.000	1	109.6560	0.000	1	109.1690	1.883	10	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:2:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6]-4:C-3:H-1:H-1:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[3,6]O)(CCHH)(OH)	C(C[6]C[6,6a]C[6]O)(CCH)(H)2	C[6,6a](C[5,6,6a]C[3,5,6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[3,6]O)(CCHH)(OH){2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6a]C[6]O)(CCH)(H)2	C[6,6a](C[5,6,6a]C[3,5,6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]CO){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	108.4220	0.000	1	108.4220	0.000	1	108.4220	0.000	1	109.1690	1.883	10	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:2:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(CCHH)(OH)	C(C[6]C[6,6a]C[6]O)(CCO)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(CCHH)(OH){1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]O)(CCO)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]CO){1|O<1>,2|H<1>,3|C<3>}	107.3650	0.085	2	107.3650	0.007	2	107.3650	0.007	2	109.1690	1.883	10	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:2:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6]-4:C-3:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]O)(CCHH)(OH)	C(C[6]C[6,6a]C[6]O)(CCO)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6]C[6]CO)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]O)(CCHH)(OH){1|C<4>,4|C<3>}	C(C[6]C[6,6a]C[6]O)(CCO)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6]C[6]CO){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	107.9770	0.000	1	107.9770	0.000	1	107.9770	0.000	1	109.1690	1.883	10	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:2:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6]-4:C[5a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(CC[5a]HH)(OH)	C(C[6]C[6,6a]C[6]O)(C[5a]N[5a]S[5a])(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(CC[5a]HH)(OH){1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]O)(C[5a]N[5a]S[5a])(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]CO){1|O<1>,2|H<1>,3|C<3>}	109.7820	0.000	1	109.7820	0.000	1	109.7930	0.378	3	109.1690	1.883	10	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:2:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6]-4:C[5a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[5a]HH)(OH)	C(C[6]C[6,6a]C[6]O)(C[5a]C[5a]O[5a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[5a]HH)(OH){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]O)(C[5a]C[5a]O[5a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	109.1840	0.000	1	109.1840	0.000	1	109.7930	0.378	3	109.1690	1.883	10	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:2:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6]-4:C[5a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[5a]HH)(OH)	C(C[6]C[6,6a]C[6]O)(C[5a]C[5a]S[5a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[5a]HH)(OH){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]O)(C[5a]C[5a]S[5a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	110.4130	0.000	1	110.4130	0.000	1	109.7930	0.378	3	109.1690	1.883	10	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:2:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)(OC)	C(C[6]C[6,6a]C[6]O)(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)(OC){1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]O)(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	110.7630	1.099	2	110.7630	1.207	2	110.7630	1.207	2	109.1690	1.883	10	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:2:	4:3:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CCHH)(OH)	C(C[6]C[6,6a]2O)(CClC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CCHH)(OH){1|H<1>,1|O<2>,5|C<3>}	C(C[6]C[6,6a]2O)(CClC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	110.7420	0.000	1	110.7420	0.000	1	109.6460	1.883	3	109.9715	1.858	6	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:2:	4:3:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(OH)	C(C[6]C[6,6a]2O)(CCH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(OH){2|H<1>,5|C<3>}	C(C[6]C[6,6a]2O)(CCH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	109.0980	1.401	2	109.0980	1.964	2	109.6460	1.883	3	109.9715	1.858	6	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:2:	4:3:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(OH)	C(C[6]C[6,6a]2O)(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(OH){1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2O)(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	109.6085	1.430	2	109.6085	2.046	2	109.6085	2.046	2	109.9715	1.858	6	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:2:	4:3:1:1:	3:4:3:	C[6,6a]-3:N[5a,6]-3:C-4:O-2:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(CC[6a]HH)(OH)	C(C[6]C[6,6a]N[5a,6]O)(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a,6]CO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(CC[6a]HH)(OH){1|H<1>,5|C<3>}	C(C[6]C[6,6a]N[5a,6]O)(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a,6]CO)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	111.6740	0.000	1	111.6740	0.000	1	111.6740	0.000	1	109.9715	1.858	6	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:2:	4:3:2:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6]-4:C-3:N-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(CCHN)(OH)	C(C[6]C[6,6a]C[6]O)(COO)(NC)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(CCHN)(OH){1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]O)(COO)(NC)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]CO){1|O<1>,2|H<1>,3|C<3>}	108.8720	0.000	1	108.8720	0.000	1	108.8720	0.000	1	108.8720	0.000	1	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:2:	4:3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C-4:C-2:	C[6]-4:C[6a]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]CH)(CN)	C(C[6]C[6,6a]N[6]C)(C[6a]C[6a]2)(CCC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]CH)(CN){2|H<1>,3|C<3>}	C(C[6]C[6,6a]N[6]C)(C[6a]C[6a]2)(CCC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CC){3|C<3>,3|H<1>}	108.0820	0.000	1	108.0820	0.000	1	108.0820	0.000	1	108.0820	0.000	1	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:2:	4:4:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(OC)	C(C[6]C[6,6a]C[6]O)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(OC){1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]O)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	108.8800	0.000	1	108.8800	0.000	1	110.2072	1.220	6	110.2072	1.220	6	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:2:	4:4:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(OC)	C(C[6]C[6,6a]C[6]O)(CHHO)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(OC){1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]O)(CHHO)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	110.5600	0.000	1	110.5600	0.000	1	110.2072	1.220	6	110.2072	1.220	6	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:2:	4:4:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(OC)	C(C[6]C[6,6a]C[6]O)(CH3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(OC){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6,6a]C[6]O)(CH3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]CO){1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|O<1>}	110.8240	0.000	1	110.8240	0.000	1	110.2072	1.220	6	110.2072	1.220	6	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:2:	4:4:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(OH)	C(C[6]C[6,6a]C[6]O)(CH3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(OH){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6,6a]C[6]O)(CH3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]CO){1|C<3>,1|N<3>,1|O<2>,2|H<1>,2|O<1>}	110.3263	1.377	3	110.3263	1.897	3	110.2072	1.220	6	110.2072	1.220	6	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:2:	4:4:1:1:	3:4:3:	C[6,6a]-3:C[6,6]-3:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(CC[6]HH)(OH)	C(C[6]C[6,6a]C[6,6]O)(C[6]C[6]2H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CO)(C[6a]N[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(CC[6]HH)(OH){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C(C[6]C[6,6a]C[6,6]O)(C[6]C[6]2H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CO)(C[6a]N[6a]H){1|N<2>,1|O<1>,1|O<2>,2|C<3>}	109.5730	0.000	1	109.5730	0.000	1	109.5730	0.000	1	109.2250	2.987	5	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:2:	4:4:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(OH)	C(C[6]C[6,6a]2O)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(OH){1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2O)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	109.1380	1.983	4	109.1380	3.932	4	109.1380	3.932	4	109.2250	2.987	5	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:2:	4:4:4:1:	3:2:4:	C[6,6a]-3:N[6]-3:C-4:O-2:	C[6]-4:C-4:C-4:H-1:	N[6,6a]-3:N[6a]-2:C[6]-4:	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]H)(CCCH)(OC)	C(C[6]C[6,6a]N[6]O)(CCHH)(CH3)(H)	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]CO)	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]H)(CCCH)(OC){1|C<4>,1|O<1>,2|C<3>}	C(C[6]C[6,6a]N[6]O)(CCHH)(CH3)(H)	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]CO){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	113.6100	3.567	2	113.6100	12.721	2	113.2660	6.715	3	113.2660	6.715	3	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:2:	4:4:4:1:	3:2:4:	C[6,6a]-3:N[6]-3:C-4:O-2:	C[6]-4:C-4:C-4:H-1:	N[6,6a]-3:N[6a]-2:C[6]-4:	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]H)(CCCH)(OC)	C(C[6]C[6,6a]N[6]O)(CH3)2(H)	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]CO)	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]H)(CCCH)(OC){1|C<4>,1|O<1>,2|C<3>}	C(C[6]C[6,6a]N[6]O)(CH3)2(H)	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]CO){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	112.5780	0.000	1	112.5780	0.000	1	113.2660	6.715	3	113.2660	6.715	3	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:2:	4:4:4:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6]-4:C-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(CCCH)(OGe)	C(C[6]C[6,6a]C[6]O)(CH3)2(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(CCCH)(OGe){1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]O)(CH3)2(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	111.3570	0.000	1	111.3570	0.000	1	111.3570	0.000	1	111.1087	0.067	3	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:2:	4:4:4:1:	3:3:4:	C[6,6a]-3:N[6]-3:C-4:C-2:	C[6]-4:C-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCCH)(CN)	C(C[6]C[6,6a]N[6]C)(CH3)2(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCCH)(CN){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]C)(CH3)2(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CC){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	110.9845	0.203	2	110.9845	0.041	2	110.9845	0.041	2	111.1087	0.067	3	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:2:	4:4:4:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	C[6]-4:C-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CCCH)(OH)	C(C[6]C[6,6a]2O)(CH3)2(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]N[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(CCCH)(OH){1|C<4>,2|C<3>,2|N<2>,2|O<2>}	C(C[6]C[6,6a]2O)(CH3)2(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]N[6a]O){1|H<1>,2|C<4>,3|C<3>}	109.3498	2.365	4	109.3498	5.595	4	109.3498	5.595	4	109.3498	5.595	4	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:3:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)(COO)	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)(COO){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<4>,3|C<3>,3|H<1>}	110.8005	1.679	2	110.8005	2.820	2	108.9465	5.555	4	109.0216	4.195	5	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:3:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)(CCH)	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)(CCH){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|O<1>,2|C<3>,3|H<1>}	107.0925	0.310	2	107.0925	0.096	2	108.9465	5.555	4	109.0216	4.195	5	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:3:	4:1:1:1:	3:3:4:	C[6,6a]-3:N[6]-3:C-4:C-3:	C[6]-4:F-1:F-1:F-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CF3)(CCH)	C(C[6]C[6,6a]N[6]C)(F)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CF3)(CCH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[6]C[6,6a]N[6]C)(F)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CC){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	109.3220	0.000	1	109.3220	0.000	1	109.3220	0.000	1	109.0216	4.195	5	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:3:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)(COO)	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)(COO){1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	108.6920	0.145	4	108.6920	0.021	4	108.6920	0.021	4	110.1125	4.958	6	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:3:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:N-3:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)(NOO)	C(C[6]C[6,6a]2N)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CN)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)(NOO){1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2N)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CN)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	112.9535	0.715	2	112.9535	0.511	2	112.9535	0.511	2	110.1125	4.958	6	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:3:	4:2:1:1:	3:3:4:	C[6,6a]-3:N[6]-3:C-4:C-3:	C[6]-4:S-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CHHS)(COO)	C(C[6]C[6,6a]N[6]C)(SC[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CHHS)(COO){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]C)(SC[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CC){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	108.8380	0.000	1	108.8380	0.000	1	108.8380	0.000	1	108.8380	0.000	1	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:3:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:C-3:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(COO)	C(C[6]C[6,6a]C[6]C)(COO)(H)2	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(COO){1|C<3>,1|N<2>,1|O<1>,2|O<2>}	C(C[6]C[6,6a]C[6]C)(COO)(H)2	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]CC){1|C<2>,3|C<3>}	111.7350	0.000	1	111.0325	0.987	2	110.5030	1.335	3	109.7202	1.861	5	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:3:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:C-3:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(COO)	C(C[6]C[6,6a]C[6]C)(COO)(H)2	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(COO){1|C<3>,1|N<3>,1|O<1>,2|O<2>}	C(C[6]C[6,6a]C[6]C)(COO)(H)2	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]CC){1|C<2>,3|C<3>}	110.3300	0.000	1	111.0325	0.987	2	110.5030	1.335	3	109.7202	1.861	5	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:3:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:C-3:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(COO)	C(C[6]C[6,6a]C[6]C)(CCH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(COO){2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(CCH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|O<1>,2|C<3>,3|H<1>}	109.4440	0.000	1	109.4440	0.000	1	110.5030	1.335	3	109.7202	1.861	5	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:3:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:N-3:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)(NCN)	C(C[6]C[6,6a]C[6]N)(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)(NCN){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]N)(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CN){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	108.5460	0.423	2	108.5460	0.179	2	108.5460	0.179	2	109.7202	1.861	5	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:3:	4:3:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-3:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(COO)	C(C[6]C[6,6a]2C)(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(COO){1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	109.7943	0.320	4	109.7943	0.102	4	109.7943	0.102	4	109.7943	0.102	4	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:3:	4:4:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-3:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(COO)	C(C[6]C[6,6a]2C)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(COO){1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	109.6025	0.046	2	109.6025	0.002	2	109.6025	0.002	2	110.3257	0.707	4	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:3:	4:4:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:N-3:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(NOO)	C(C[6]C[6,6a]2N)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CN)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(NOO){2|H<1>,5|C<3>}	C(C[6]C[6,6a]2N)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CN)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	111.0490	0.164	2	111.0490	0.027	2	111.0490	0.027	2	110.3257	0.707	4	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:3:	4:4:4:4:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-3:	C[6]-4:C-4:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CC3)(COO)	C(C[6]C[6,6a]2C)(CH3)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC3)(COO){1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(CH3)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){3|H<1>,4|C<3>}	111.7695	0.699	2	111.7695	0.489	2	111.7695	0.489	2	111.7695	0.489	2	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:2:4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a,6a]-3:N[6a]-2:C[6]-4:	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]N[6]O)(CCHH)(CH3)	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a,6a])(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]N[6]O)(CCHH)(CH3){1|C<4>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a,6a])(C[6]C[6]CC){1|N<3>,1|O<1>,4|C<3>}	106.5030	0.363	2	106.5030	0.132	2	106.5030	0.132	2	106.5030	0.132	2	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CH3)2{1|H<1>,1|N<3>,5|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC){1|H<1>,1|N<3>,6|C<3>}	108.8470	0.327	2	108.8470	0.107	2	108.8470	0.107	2	109.8678	2.531	86	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(CH3)2{1|H<1>,2|N<3>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC){1|C<4>,2|H<1>,5|C<3>}	110.2465	0.784	4	110.2465	0.614	4	110.2465	0.614	4	109.8678	2.531	86	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5a,6a]H)(C[6]C[6,6a]CC)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|N<3>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5a,6a]H)(C[6]C[6,6a]CC){1|H<1>,5|C<3>}	110.1825	3.287	2	110.1825	10.807	2	110.1825	10.807	2	109.8678	2.531	86	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CH3)2{1|H<1>,1|O<2>,5|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC){2|H<1>,5|C<3>}	110.5620	0.886	6	110.5620	0.785	6	110.5620	0.785	6	109.8678	2.531	86	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:Br-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CBrHH)(CH3)	C(C[6]C[6,6a]C[6]C)(Br)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CBrHH)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(Br)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	111.5750	0.000	1	111.5750	0.000	1	111.5750	0.000	1	109.8678	2.531	86	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH)(CH3)	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH)(CH3){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){2|C<3>,5|H<1>}	108.6190	0.000	1	108.6190	0.000	1	109.8218	2.587	61	109.8678	2.531	86	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2{1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|B<3>,1|C<4>,2|C<3>,2|H<1>}	110.3955	2.381	4	110.3955	5.668	4	109.8218	2.587	61	109.8678	2.531	86	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2{1|Br<1>,1|H<1>,1|P<3>,2|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]CC){3|C<3>,3|H<1>}	109.6340	0.803	4	109.8084	1.212	26	109.8218	2.587	61	109.8678	2.531	86	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2{1|Br<1>,1|H<1>,1|P<4>,2|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|Pd<4>,3|C<3>,3|H<1>}	110.2470	2.602	2	109.8084	1.212	26	109.8218	2.587	61	109.8678	2.531	86	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2{1|Br<1>,1|H<1>,1|P<4>,2|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|Pt<4>,3|C<3>,3|H<1>}	109.9362	1.035	6	109.8084	1.212	26	109.8218	2.587	61	109.8678	2.531	86	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2{1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|O<1>,3|C<3>,3|H<1>}	109.3275	1.331	2	109.8084	1.212	26	109.8218	2.587	61	109.8678	2.531	86	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2{1|H<1>,1|P<4>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|O<1>,3|C<3>,3|H<1>}	109.4808	0.814	4	109.8084	1.212	26	109.8218	2.587	61	109.8678	2.531	86	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2{1|P<4>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|O<1>,3|C<3>,3|H<1>}	109.2355	0.866	2	109.8084	1.212	26	109.8218	2.587	61	109.8678	2.531	86	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2{1|P<4>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|Pd<4>,3|C<3>,3|H<1>}	110.7115	1.675	2	109.8084	1.212	26	109.8218	2.587	61	109.8678	2.531	86	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2{1|P<4>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|Pt<4>,3|C<3>,3|H<1>}	109.9750	1.293	4	109.8084	1.212	26	109.8218	2.587	61	109.8678	2.531	86	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(CH3)	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|O<1>,2|C<3>,3|H<1>}	107.3160	0.000	1	107.3160	0.000	1	109.8218	2.587	61	109.8678	2.531	86	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(CH3)	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(CH3){1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|Br<1>,1|H<1>,1|O<2>,2|C<3>}	110.3470	0.000	1	110.3470	0.000	1	109.8218	2.587	61	109.8678	2.531	86	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)2{1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6]CC){1|C<4>,1|O<1>,2|C<3>,2|O<2>}	109.3280	1.783	2	109.3280	3.180	2	109.8218	2.587	61	109.8678	2.531	86	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CHHN)(CH3)	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CHHN)(CH3){1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|O<1>,2|C<3>,3|H<1>}	109.1970	0.000	1	109.1970	0.000	1	109.8218	2.587	61	109.8678	2.531	86	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CCHH)(CH3)	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CCHH)(CH3){1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	108.4420	0.379	2	108.9068	0.831	6	109.8218	2.587	61	109.8678	2.531	86	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CCHH)(CH3)	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CCHH)(CH3){1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	109.1393	1.059	4	108.9068	0.831	6	109.8218	2.587	61	109.8678	2.531	86	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CH3)2{1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	110.6155	3.125	2	110.6155	9.764	2	109.8218	2.587	61	109.8678	2.531	86	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CHHP)(CH3)	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CHHP)(CH3){1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	112.7440	0.000	1	112.7440	0.000	1	109.8218	2.587	61	109.8678	2.531	86	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CHHS)(CH3)	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CHHS)(CH3){1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	109.0670	0.000	1	109.0670	0.000	1	109.8218	2.587	61	109.8678	2.531	86	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CBrHH)(CH3)	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CBrHH)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	110.2650	0.000	1	110.2650	0.000	1	109.8218	2.587	61	109.8678	2.531	86	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(CH3)	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|F<1>,1|H<1>,1|N<3>,2|O<1>}	108.6780	0.000	1	109.2746	2.532	5	109.8218	2.587	61	109.8678	2.531	86	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(CH3)	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	109.1670	0.000	1	109.2746	2.532	5	109.8218	2.587	61	109.8678	2.531	86	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(CH3)	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	108.2710	0.626	2	109.2746	2.532	5	109.8218	2.587	61	109.8678	2.531	86	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(CH3)	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(CH3){2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	111.9860	0.000	1	109.2746	2.532	5	109.8218	2.587	61	109.8678	2.531	86	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CH3)2{1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	110.6179	2.620	8	110.6179	6.866	8	109.8218	2.587	61	109.8678	2.531	86	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CHHN)(CH3)	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CHHN)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	110.3280	0.000	1	110.3280	0.000	1	109.8218	2.587	61	109.8678	2.531	86	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:N[6]-3:C-4:C-4:	C[6]-4:F-1:F-1:F-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHS)(CF3)	C(C[6]C[6,6a]N[6]C)(F)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHS)(CF3){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]C)(F)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CC){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	107.9230	0.000	1	107.9230	0.000	1	108.4340	0.522	2	109.8678	2.531	86	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:N[6]-3:C-4:C-4:	C[6]-4:F-1:F-1:F-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CC[6a]CH)(CF3)	C(C[6]C[6,6a]N[6]C)(F)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CC[6a]CH)(CF3){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[6]C[6,6a]N[6]C)(F)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CC){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	108.9450	0.000	1	108.9450	0.000	1	108.4340	0.522	2	109.8678	2.531	86	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[3x6]O)(CH3)2	C(C[6]C[6,6a]N[6]C)(H)3	C[6,6a](C[6,6a]C[4x6]C[6a])(C[6a]C[6a]H)(C[6]N[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[3x6]O)(CH3)2{1|H<1>,2|C<3>,3|C<4>}	C(C[6]C[6,6a]N[6]C)(H)3	C[6,6a](C[6,6a]C[4x6]C[6a])(C[6a]C[6a]H)(C[6]N[6]CC){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	110.4490	0.180	2	110.4490	0.032	2	109.9416	4.855	7	109.8678	2.531	86	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(CH3)2	C(C[6]C[6,6a]N[6]C)(H)3	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]O)(C[6]N[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(CH3)2{1|N<3>,1|O<1>,3|C<3>}	C(C[6]C[6,6a]N[6]C)(H)3	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]O)(C[6]N[6]CC){2|H<1>,4|C<3>}	110.6757	1.898	4	110.6757	3.604	4	109.9416	4.855	7	109.8678	2.531	86	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHO)(CH3)	C(C[6]C[6,6a]N[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHO)(CH3){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CC){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	105.9900	0.000	1	105.9900	0.000	1	109.9416	4.855	7	109.8678	2.531	86	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:N[6]-3:C-4:P-4:	C[6]-4:F-1:F-1:F-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CF3)(PO3)	C(C[6]C[6,6a]N[6]P)(F)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CP)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CF3)(PO3){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[6]C[6,6a]N[6]P)(F)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CP){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	109.0520	0.000	1	109.0520	0.000	1	109.0520	0.000	1	109.8678	2.531	86	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:2:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:O[6a]-2:	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[4,6]O)(CCHH)(CH3)	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6]C[6]CC)(O[6a]C[6a])	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[4,6]O)(CCHH)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6]C[6]CC)(O[6a]C[6a]){1|C<3>,1|H<1>,2|O<1>,3|C<4>}	109.7965	0.906	2	109.7965	0.820	2	109.7965	0.820	2	109.7965	0.820	2	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[5,6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,3x6]C[5])(CH3)2	C(C[6]C[6,6a]C[5,6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,3x6]C[5])(CH3)2{2|C<4>,3|H<1>,4|C<3>}	C(C[6]C[6,6a]C[5,6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	109.1490	3.913	2	109.1490	15.313	2	109.1490	15.313	2	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[5a]-3:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(CH3)	C(C[6]C[6,6a]C[5a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a]C[6]C)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(CH3){1|H<1>,1|O<2>,2|C<4>,2|N<3>,4|C<3>}	C(C[6]C[6,6a]C[5a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a]C[6]C)(C[6a]C[6a]O){1|C<4>,3|C<3>,5|H<1>}	110.1680	0.000	1	110.1680	0.000	1	110.1680	0.000	1	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5a,6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[5,6]C[6,6])(CH3)2	C(C[6]C[6,6a]C[6,6]C)(H)3	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[6,6]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[5,6]C[6,6])(CH3)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6,6]C)(H)3	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[6,6]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	108.9950	0.519	2	108.9950	0.269	2	108.9950	0.269	2	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CH3)2	C(C[6]C[6,6a]C[6,6]C)(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]CC)(C[6a]C[6a]Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CH3)2{1|Cl<1>,1|H<1>,1|N<2>,4|C<3>}	C(C[6]C[6,6a]C[6,6]C)(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]CC)(C[6a]C[6a]Cl){1|H<1>,1|O<2>,3|C<3>}	110.4108	0.987	4	110.4108	0.974	4	110.9247	3.131	6	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(CH3)2	C(C[6]C[6,6a]C[6,6]C)(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(CH3)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6,6]C)(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]CC)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	111.9525	3.092	2	111.9525	9.562	2	110.9247	3.131	6	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2{2|H<1>,5|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|P<4>,3|C<3>}	108.9150	0.137	2	108.9150	0.019	2	108.9150	0.019	2	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5a,6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2{1|N<3>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>}	109.2908	1.242	4	109.2908	1.542	4	109.2908	1.542	4	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6,6a]C[6,6a]B[6,6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2{1|B<3>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6,6a]C[6,6a]B[6,6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	109.3238	2.917	4	109.1545	7.565	6	108.8273	3.356	322	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6,6a]C[6,6a]B[6,6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2{1|B<3>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6,6a]C[6,6a]B[6,6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,5|C<3>}	108.8160	3.456	2	109.1545	7.565	6	108.8273	3.356	322	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2{1|N<3>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|N<3>,4|C<3>}	110.5275	2.541	4	110.5275	6.456	4	108.8273	3.356	322	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6,6a]C[6,6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2{1|B<3>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6,6a]C[6,6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,5|C<3>}	108.1200	1.040	8	108.1200	1.081	8	108.8273	3.356	322	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2{2|H<1>,5|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|B<3>,1|H<1>,4|C<3>}	107.8131	1.686	8	107.8131	2.843	8	108.8273	3.356	322	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6,6a]C[6,6a,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2{1|B<3>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6,6a]C[6,6a,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,5|C<3>}	107.6210	0.481	2	107.6210	0.231	2	108.8273	3.356	322	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2{1|B<3>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	108.0915	1.575	70	108.1212	2.385	118	108.8273	3.356	322	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2{1|B<3>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,5|C<3>}	108.1365	1.572	30	108.1212	2.385	118	108.8273	3.356	322	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2{1|B<3>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,5|C<3>}	108.1704	1.660	14	108.1212	2.385	118	108.8273	3.356	322	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2{1|B<3>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|C<4>,4|C<3>}	108.3530	0.188	4	108.1212	2.385	118	108.8273	3.356	322	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2{2|H<1>,5|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	108.6758	0.885	14	108.6758	0.783	14	108.8273	3.356	322	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6,6a]C[6,6a]N[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2{1|N<3>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6,6a]C[6,6a]N[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Br<1>,1|C<4>,4|C<3>}	109.0772	0.708	12	109.5487	3.612	144	108.8273	3.356	322	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6,6a]C[6,6a]N[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2{1|N<3>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6,6a]C[6,6a]N[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	109.4723	1.786	80	109.5487	3.612	144	108.8273	3.356	322	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6,6a]C[6,6a]N[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2{1|N<3>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6,6a]C[6,6a]N[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,5|C<3>}	109.7752	2.228	52	109.5487	3.612	144	108.8273	3.356	322	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6,6a]B[6,6,6a]C[6,6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3)2{1|B<3>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6,6a]B[6,6,6a]C[6,6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	108.0310	0.707	12	108.0310	0.499	12	108.8273	3.356	322	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3)2{2|H<1>,5|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	108.5180	0.180	2	108.5817	2.334	6	108.8273	3.356	322	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3)2{2|H<1>,5|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	109.0905	3.232	2	108.5817	2.334	6	108.8273	3.356	322	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3)2{2|H<1>,5|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	108.1365	0.518	2	108.5817	2.334	6	108.8273	3.356	322	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a,6a]B[6,6,6a]C[6a,6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3)2{1|B<3>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a,6a]B[6,6,6a]C[6a,6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	107.6737	0.738	10	107.6737	0.544	10	107.9096	1.880	18	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a,6a]C[5a,6a,6a]B[6,6,6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3)2{1|B<3>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a,6a]C[5a,6a,6a]B[6,6,6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	107.7760	1.342	2	107.7760	1.801	2	107.9096	1.880	18	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3)2{2|H<1>,5|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	108.6065	4.727	2	108.3473	4.705	6	107.9096	1.880	18	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3)2{2|H<1>,5|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	108.6035	0.467	2	108.3473	4.705	6	107.9096	1.880	18	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3)2{2|H<1>,5|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,5|C<3>}	107.8320	0.404	2	108.3473	4.705	6	107.9096	1.880	18	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2{2|H<1>,5|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|P<3>,3|C<3>}	108.7210	2.611	2	108.7210	6.815	2	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2{1|N<3>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,4|C<3>}	109.9008	2.040	4	109.9008	4.160	4	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CH3)2{1|H<1>,1|N<3>,5|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,4|C<3>}	106.7700	0.144	2	106.7700	0.021	2	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]B[6,6]C[6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2{1|B<3>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]B[6,6]C[6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,5|C<3>}	109.1003	3.144	6	109.1003	9.885	6	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2{1|N<3>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	110.6722	1.703	4	110.6722	2.901	4	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(CH3)2{1|H<1>,2|N<3>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,4|C<3>}	106.1380	0.371	4	106.1380	0.138	4	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(CH3)	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(CH3){1|O<2>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	109.4865	0.302	2	109.4865	0.091	2	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[5a,6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|N<3>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[5a,6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,5|C<3>}	110.7365	1.265	4	110.7365	1.601	4	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|N<3>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	109.0290	1.196	4	109.0290	1.431	4	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6,6a]H){2|C<4>,2|H<1>,3|C<3>}	112.4169	0.886	23	112.4169	0.784	23	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|O<2>}	108.8325	1.406	8	109.1973	2.542	101	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	108.8600	0.438	8	109.1973	2.542	101	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	109.4087	0.681	4	109.1973	2.542	101	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	108.6201	0.567	14	109.1973	2.542	101	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Ir<6>,1|H<1>,1|N<3>,1|P<4>,3|C<3>}	109.9868	2.385	4	109.1973	2.542	101	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Ni<5>,1|H<1>,1|N<4>,1|P<4>,3|C<3>}	110.1427	1.878	4	109.1973	2.542	101	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Ni<5>,1|H<1>,1|O<2>,1|P<4>,3|C<3>}	108.5532	1.011	4	109.1973	2.542	101	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	111.3450	0.664	4	109.1973	2.542	101	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<3>}	108.5666	2.633	8	109.1973	2.542	101	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){3|C<3>,4|H<1>}	109.8420	1.920	4	109.1973	2.542	101	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{2|H<1>,5|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Ir<4>,1|N<3>,1|P<4>,3|C<3>}	108.6835	1.499	4	109.1973	2.542	101	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{2|H<1>,5|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Ni<4>,1|H<1>,1|P<4>,3|C<3>}	108.8423	0.994	8	109.1973	2.542	101	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{2|H<1>,5|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	108.6395	0.821	12	109.1973	2.542	101	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{2|H<1>,5|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,4|C<3>}	110.1277	2.139	15	109.1973	2.542	101	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|N<3>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6,6a]H){1|C<4>,1|H<1>,4|C<3>}	109.8145	3.290	4	110.1159	5.928	8	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|N<3>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6,6a]H){2|C<4>,4|C<3>}	110.4172	1.663	4	110.1159	5.928	8	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|N<3>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	108.9213	0.703	4	109.6333	4.065	218	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|N<3>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	109.0378	0.466	4	109.6333	4.065	218	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|N<3>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,5|C<3>}	108.9900	0.554	2	109.6333	4.065	218	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|N<3>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	109.0335	1.562	4	109.6333	4.065	218	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|N<3>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,4|C<3>}	109.6956	2.086	196	109.6333	4.065	218	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|N<3>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){3|C<3>,3|H<1>}	109.2220	1.504	8	109.6333	4.065	218	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|B<3>,1|H<1>,3|C<3>}	109.7833	2.247	10	109.7959	2.992	802	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|B<4>,1|H<1>,3|C<3>}	109.9707	2.155	20	109.7959	2.992	802	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Bi<3>,1|H<1>,3|C<3>}	110.0215	2.292	4	109.7959	2.992	802	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	109.3680	1.150	4	109.7959	2.992	802	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	109.4783	1.520	12	109.7959	2.992	802	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>}	109.6568	1.711	4	109.7959	2.992	802	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>}	109.5720	1.786	28	109.7959	2.992	802	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,4|C<3>}	109.3721	0.998	46	109.7959	2.992	802	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	109.2848	0.940	4	109.7959	2.992	802	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	109.1732	1.504	5	109.7959	2.992	802	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|P<3>,3|C<3>}	109.8374	1.815	20	109.7959	2.992	802	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|P<4>,3|C<3>}	109.9654	1.799	297	109.7959	2.992	802	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	109.7128	1.917	76	109.7959	2.992	802	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Si<3>,1|H<1>,3|C<3>}	109.3575	0.743	4	109.7959	2.992	802	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Si<4>,1|H<1>,3|C<3>}	109.9669	1.668	89	109.7959	2.992	802	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Si<5>,1|H<1>,3|C<3>}	110.2082	1.680	6	109.7959	2.992	802	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Sn<2>,1|H<1>,3|C<3>}	109.7400	1.332	4	109.7959	2.992	802	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Sn<3>,1|H<1>,3|C<3>}	110.0664	1.813	8	109.7959	2.992	802	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Sn<4>,1|H<1>,3|C<3>}	109.3125	0.339	4	109.7959	2.992	802	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|C<4>,3|C<3>}	109.5391	1.694	12	109.7959	2.992	802	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	109.8410	0.219	2	109.7959	2.992	802	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<3>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Ir<6>,1|H<1>,1|P<4>,3|C<3>}	109.8596	2.311	16	109.7959	2.992	802	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<3>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Os<6>,1|H<1>,1|P<4>,3|C<3>}	109.3613	1.394	24	109.7959	2.992	802	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<3>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Os<7>,1|H<1>,1|P<4>,3|C<3>}	109.5409	1.794	8	109.7959	2.992	802	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<3>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Pd<4>,1|H<1>,1|P<4>,3|C<3>}	109.2299	1.156	8	109.7959	2.992	802	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<3>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Pt<4>,1|H<1>,1|P<4>,3|C<3>}	109.5320	0.899	4	109.7959	2.992	802	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<3>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Rh<4>,1|H<1>,1|P<4>,3|C<3>}	109.5293	1.581	32	109.7959	2.992	802	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<3>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Rh<5>,1|H<1>,1|P<4>,3|C<3>}	109.6820	3.579	4	109.7959	2.992	802	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<3>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Rh<6>,1|H<1>,1|P<4>,3|C<3>}	109.4104	1.902	11	109.7959	2.992	802	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<3>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Ru<5>,1|C<4>,1|P<4>,3|C<3>}	110.1120	2.933	2	109.7959	2.992	802	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<3>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Ru<5>,1|Si<4>,1|C<4>,3|C<3>}	110.8025	3.340	2	109.7959	2.992	802	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<3>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Ru<5>,1|Si<4>,1|H<1>,3|C<3>}	110.5958	1.509	12	109.7959	2.992	802	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<3>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Ru<6>,1|H<1>,1|P<4>,3|C<3>}	109.4435	1.402	20	109.7959	2.992	802	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|S<2>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>}	110.2943	2.041	4	109.8633	2.448	74	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|S<3>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Ni<5>,1|B<4>,1|C<4>,3|C<3>}	110.1075	1.216	2	109.8633	2.448	74	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|S<3>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Ni<5>,1|C<4>,1|P<4>,3|C<3>}	110.2915	1.232	2	109.8633	2.448	74	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|S<3>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Pd<5>,1|B<4>,1|C<4>,3|C<3>}	110.2580	2.462	2	109.8633	2.448	74	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|S<3>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Pd<5>,1|C<4>,1|P<4>,3|C<3>}	110.0635	2.526	2	109.8633	2.448	74	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|S<3>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Pt<4>,1|B<3>,1|C<4>,3|C<3>}	110.2613	1.695	4	109.8633	2.448	74	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|S<3>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Pt<4>,1|C<4>,1|P<4>,3|C<3>}	110.3358	1.341	4	109.8633	2.448	74	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|S<3>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Rh<4>,1|B<3>,1|C<4>,3|C<3>}	111.0240	2.083	2	109.8633	2.448	74	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|S<3>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Rh<4>,1|C<4>,1|P<4>,3|C<3>}	109.7740	0.182	2	109.8633	2.448	74	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|S<3>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Rh<5>,1|C<4>,1|H<1>,3|C<3>}	110.2690	1.769	2	109.8633	2.448	74	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|S<3>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Rh<5>,1|C<4>,1|P<4>,3|C<3>}	110.0945	2.280	2	109.8633	2.448	74	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|S<3>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Rh<6>,1|B<4>,1|C<4>,3|C<3>}	109.7260	2.092	2	109.8633	2.448	74	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|S<3>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Rh<6>,1|C<4>,1|P<4>,3|C<3>}	111.3140	0.557	2	109.8633	2.448	74	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|S<4>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	109.9989	1.622	24	109.8633	2.448	74	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|S<4>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,2|O<1>,4|C<3>}	108.4270	1.205	6	109.8633	2.448	74	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|S<4>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	109.1614	1.425	12	109.8633	2.448	74	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CH3)2	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CH3)2{1|H<1>,1|O<2>,5|C<3>}	C(C[6]C[6,6a]2C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	106.9335	0.378	6	106.9335	0.143	6	109.7419	3.318	1264	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a,6a]S[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|S<2>,2|C<4>,3|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a,6a]S[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	107.9125	0.501	2	107.9125	0.251	2	109.4965	2.040	43	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|C<2>,1|C<4>,4|C<3>,4|H<1>}	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){2|C<4>,4|C<3>,4|H<1>}	106.8930	0.182	2	109.0196	6.047	7	109.4965	2.040	43	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|C<4>,3|H<1>,6|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|C<4>,3|C<3>,6|H<1>}	109.1240	0.000	1	109.0196	6.047	7	109.4965	2.040	43	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|C<4>,4|C<3>,5|H<1>}	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){2|C<4>,4|C<3>,4|H<1>}	107.6710	0.236	2	109.0196	6.047	7	109.4965	2.040	43	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|S<4>,4|H<1>,5|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	112.6280	0.000	1	109.0196	6.047	7	109.4965	2.040	43	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){3|H<1>,6|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){4|H<1>,5|C<3>}	112.2570	0.000	1	109.0196	6.047	7	109.4965	2.040	43	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|N<3>,1|O<2>,3|H<1>,5|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	108.5395	0.414	2	108.5395	0.171	2	109.4965	2.040	43	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){4|C<3>,4|H<1>}	111.7580	0.000	1	109.6219	0.405	21	109.4965	2.040	43	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	109.5114	0.428	19	109.6219	0.405	21	109.4965	2.040	43	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	109.5860	0.000	1	109.6219	0.405	21	109.4965	2.040	43	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|S<2>,2|C<4>,3|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	108.7657	0.259	4	108.6586	0.108	5	109.4965	2.040	43	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|S<3>,2|C<4>,3|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	108.2300	0.000	1	108.6586	0.108	5	109.4965	2.040	43	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(CH3)	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(CH3){1|O<2>,3|H<1>,5|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	112.0480	0.000	1	112.0480	0.000	1	109.4965	2.040	43	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(CH3)	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(CH3){1|C<4>,3|H<1>,5|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|N<3>,1|S<1>,3|C<3>,4|H<1>}	111.1870	0.000	1	111.1870	0.000	1	109.4965	2.040	43	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HO)(CH3)	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HO)(CH3){1|O<2>,3|H<1>,5|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	112.2015	0.607	2	112.2015	0.369	2	109.4965	2.040	43	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]HH)(CH3)	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]HH)(CH3){3|H<1>,5|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6,6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	109.6580	1.930	2	109.6580	3.726	2	109.4965	2.040	43	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:Si[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(Si[6]C[5,6]C[5])(CH3)2	C(C[6]C[6,6a]Si[6]C)(H)3	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]Si[6]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(Si[6]C[5,6]C[5])(CH3)2{2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C(C[6]C[6,6a]Si[6]C)(H)3	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]Si[6]CC)(C[6a]C[6a]H){1|H<1>,2|C<3>,3|C<4>}	111.3455	1.086	4	111.3455	1.178	4	111.3455	1.178	4	109.5439	3.428	1668	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	4:3:2:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6,6a]-3:N[6a]-2:	C[6](C[6,6a]C[6,6a]N[6a])2(C[6]C[6,6a]2H)(CH3)	C(C[6]C[6,6a]2C[6])(H)3	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]N[6a])2(C[6]C[6,6a]2H)(CH3){1|C<4>,8|C<3>}	C(C[6]C[6,6a]2C[6])(H)3	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|C<4>,1|N<2>,1|O<2>,2|H<1>,5|C<3>}	112.3255	0.240	2	112.3255	0.057	2	112.3255	0.057	2	112.3255	0.057	2	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(CH3)	C(C[6]C[6,6a]2C[6])(H)3	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(CH3){1|C<4>,2|H<1>,8|C<3>}	C(C[6]C[6,6a]2C[6])(H)3	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	112.1215	0.162	2	112.1215	0.026	2	112.1215	0.026	2	112.1215	0.026	2	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:2:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:C-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)2	C(C[6]C[6,6a]C[6]C)(CN)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]C)(CN)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CC){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	113.3604	0.572	5	113.3604	0.327	5	113.3604	0.327	5	111.7760	6.125	8	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:2:1:1:	3:3:4:	C[6,6a]-3:N[6]-3:C-4:C-4:	C[6]-4:C-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]N[6])(CCHH)2	C(C[6]C[6,6a]N[6]C)(CN)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]N[6])(CCHH)2{1|H<1>,5|C<3>}	C(C[6]C[6,6a]N[6]C)(CN)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CC){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	107.9810	0.317	2	107.9810	0.100	2	107.9810	0.100	2	111.7760	6.125	8	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:2:1:1:	3:3:4:	C[6,6a]-3:N[6]-3:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHO)(CH3)	C(C[6]C[6,6a]N[6]C)(OC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHO)(CH3){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]C)(OC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CC){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	111.4440	0.000	1	111.4440	0.000	1	111.4440	0.000	1	111.7760	6.125	8	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:3:1:1:	3:2:4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6,6a,6a]-3:N[6a]-2:C[6]-4:	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]N[6]O)(CCHH)(CH3)	C(C[6]C[6,6a]C[6]C)(COO)(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a,6a])(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]N[6]O)(CCHH)(CH3){1|C<4>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(COO)(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a,6a])(C[6]C[6]CC){1|N<3>,1|O<1>,4|C<3>}	111.5080	0.000	1	111.5080	0.000	1	111.5080	0.000	1	111.5080	0.000	1	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6,6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(CCHH)2	C(C[6]C[6,6a]C[6,6]C)(CCH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(CCHH)2{1|C<4>,1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6,6]C)(CCH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6]CC){1|O<1>,2|O<2>,3|C<3>}	110.2260	2.243	2	110.2260	5.031	2	110.2260	5.031	2	111.3305	3.642	20	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(CH3)	C(C[6]C[6,6a]C[6]C)(CCF)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(CCF)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|O<1>,2|C<3>,3|H<1>}	112.9060	0.000	1	112.9060	0.000	1	111.4346	5.470	10	111.3305	3.642	20	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(CH3)	C(C[6]C[6,6a]C[6]C)(CCH)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(CH3){1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]C)(CCH)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|Br<1>,1|H<1>,1|O<2>,2|C<3>}	110.9650	0.000	1	110.9650	0.000	1	111.4346	5.470	10	111.3305	3.642	20	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)2	C(C[6]C[6,6a]C[6]C)(CCH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]C)(CCH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CC){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	109.1822	0.971	4	109.1822	0.942	4	111.4346	5.470	10	111.3305	3.642	20	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CCHH)(CH3)	C(C[6]C[6,6a]C[6]C)(CC[6a]O)(H)2	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CCHH)(CH3){1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]C)(CC[6a]O)(H)2	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	114.9690	0.000	1	114.9690	0.000	1	111.4346	5.470	10	111.3305	3.642	20	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CCHH)(CH3)	C(C[6]C[6,6a]C[6]C)(CNO)(H)2	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CCHH)(CH3){1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]C)(CNO)(H)2	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	111.3110	0.000	1	111.3110	0.000	1	111.4346	5.470	10	111.3305	3.642	20	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(CH3)	C(C[6]C[6,6a]C[6]C)(CC[6a]O)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(CC[6a]O)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	113.7330	0.806	2	113.7330	0.650	2	111.4346	5.470	10	111.3305	3.642	20	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)2	C(C[6]C[6,6a]C[6]C)(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)2{1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]C)(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	110.5145	1.573	2	110.5145	2.475	2	111.0400	2.453	4	111.3305	3.642	20	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CC[6a]HH)2	C(C[6]C[6,6a]C[6]C)(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CC[6a]HH)2{1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6,6a]C[6]C)(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|N<2>,5|H<1>}	111.5655	1.944	2	111.5655	3.779	2	111.0400	2.453	4	111.3305	3.642	20	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:N-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CHHN)(CH3)	C(C[6]C[6,6a]C[6]C)(NOO)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CHHN)(CH3){1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]C)(NOO)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|O<1>,2|C<3>,3|H<1>}	112.8310	0.000	1	112.8310	0.000	1	112.3330	0.610	3	111.3305	3.642	20	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:N-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CHHN)(CH3)	C(C[6]C[6,6a]C[6]C)(NSS)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CHHN)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(NSS)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	112.7350	0.000	1	112.7350	0.000	1	112.3330	0.610	3	111.3305	3.642	20	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:N-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(CHHN)	C(C[6]C[6,6a]C[6]C)(NCH)(H)2	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(CHHN){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6,6a]C[6]C)(NCH)(H)2	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	111.4330	0.000	1	111.4330	0.000	1	112.3330	0.610	3	111.3305	3.642	20	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:3:1:1:	3:3:4:	C[6,6a]-3:N[6]-3:C-4:C-4:	C[6]-4:S-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHS)(CF3)	C(C[6]C[6,6a]N[6]C)(SC[6a]O)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHS)(CF3){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]C)(SC[6a]O)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CC){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	110.6540	0.000	1	110.6540	0.000	1	110.6540	0.000	1	111.3305	3.642	20	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:3:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(CCHO)	C(C[6]C[6,6a]2C)(CCH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(CCHO){1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(CCH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	112.2265	0.716	2	112.2265	0.513	2	112.2265	0.513	2	110.6289	5.114	9	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:3:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)2	C(C[6]C[6,6a]2C)(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)2{1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Si<4>,3|C<3>,3|H<1>}	109.2760	2.616	4	109.2760	6.843	4	109.2760	6.843	4	110.6289	5.114	9	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:3:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HS)(CCHH)	C(C[6]C[6,6a]C[6a]C[6])(CCH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HS)(CCHH){1|C<4>,3|H<1>,5|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(CCH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|N<3>,1|O<1>,1|S<2>,3|C<3>,3|H<1>}	113.1140	0.000	1	113.1140	0.000	1	113.1140	0.000	1	110.6289	5.114	9	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:3:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:N-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CHHN)	C(C[6]C[6,6a]C[6a]C[6])(NHS)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CHHN){1|C<4>,4|C<3>,5|H<1>}	C(C[6]C[6,6a]C[6a]C[6])(NHS)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	110.4945	1.109	2	110.4945	1.231	2	110.4945	1.231	2	110.6289	5.114	9	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:3:1:1:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C-4:	C[6]-4:N-3:H-1:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]H)(CHHN)	C(C[6]C[6,6a]2C[6])(NCC)(H)2	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]H)(CHHN){1|C<4>,3|H<1>,7|C<3>}	C(C[6]C[6,6a]2C[6])(NCC)(H)2	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	114.0155	2.330	2	114.0155	5.429	2	114.0155	5.429	2	113.9215	1.902	4	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:3:1:1:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C-4:	C[6]-4:N[5]-3:H-1:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(CN[5]HH)	C(C[6]C[6,6a]2C[6])(N[5]C[5]2)(H)2	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(CN[5]HH){1|C<4>,2|H<1>,8|C<3>}	C(C[6]C[6,6a]2C[6])(N[5]C[5]2)(H)2	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	113.8275	0.491	2	113.8275	0.242	2	113.8275	0.242	2	113.9215	1.902	4	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:3:2:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:C-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(CCHO)	C(C[6]C[6,6a]2C)(CCO)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(CCHO){1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(CCO)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	107.7770	0.724	2	107.7770	0.524	2	107.7770	0.524	2	107.7770	0.524	2	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C-4:C-4:	C[6]-4:C[6a]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CC[6a]CH)(CF3)	C(C[6]C[6,6a]N[6]C)(C[6a]C[6a]2)(CN[5a]O)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CC[6a]CH)(CF3){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[6]C[6,6a]N[6]C)(C[6a]C[6a]2)(CN[5a]O)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CC){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	109.3290	0.000	1	109.3290	0.000	1	109.3290	0.000	1	109.3290	0.000	1	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:4:1:1:	3:2:4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6a,6a]-3:N[6a]-2:C[6]-4:	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]N[6]O)(CCHH)(CH3)	C(C[6]C[6,6a]C[6]C)(CCHH)(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a,6a])(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]N[6]O)(CCHH)(CH3){1|C<4>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(CCHH)(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a,6a])(C[6]C[6]CC){1|N<3>,1|O<1>,4|C<3>}	113.0320	0.000	1	113.0320	0.000	1	113.0320	0.000	1	113.0320	0.000	1	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:4:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)2	C(C[6]C[6,6a]C[6]C)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]C)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CC){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	109.8450	0.000	1	109.8450	0.000	1	110.7481	5.492	15	111.2016	4.749	21	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:4:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CCHH)(CH3)	C(C[6]C[6,6a]C[6]C)(CC3)(H)2	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CCHH)(CH3){1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]C)(CC3)(H)2	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	113.1810	0.000	1	113.1810	0.000	1	110.7481	5.492	15	111.2016	4.749	21	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:4:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CCHH)(CH3)	C(C[6]C[6,6a]C[6]C)(CCFF)(H)2	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CCHH)(CH3){1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]C)(CCFF)(H)2	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	112.9880	0.000	1	112.9880	0.000	1	110.7481	5.492	15	111.2016	4.749	21	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:4:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CCHH)(CH3)	C(C[6]C[6,6a]C[6]C)(CF3)(H)2	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CCHH)(CH3){1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]C)(CF3)(H)2	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	113.1575	0.421	2	113.1575	0.177	2	110.7481	5.492	15	111.2016	4.749	21	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:4:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(CCHH)2	C(C[6]C[6,6a]C[6]C)(CH3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(CCHH)2{1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(CH3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	109.7678	1.826	6	109.7678	3.335	6	110.7481	5.492	15	111.2016	4.749	21	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:4:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(CH3)	C(C[6]C[6,6a]C[6]C)(CF3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(CH3){2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(CF3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	105.6370	0.000	1	105.6370	0.000	1	110.7481	5.492	15	111.2016	4.749	21	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:4:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(CH3)	C(C[6]C[6,6a]C[6]C)(CFFH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(CFFH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|F<1>,1|H<1>,1|N<3>,2|O<1>}	112.9010	0.000	1	111.7640	2.586	2	110.7481	5.492	15	111.2016	4.749	21	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:4:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(CH3)	C(C[6]C[6,6a]C[6]C)(CFFH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(CFFH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	110.6270	0.000	1	111.7640	2.586	2	110.7481	5.492	15	111.2016	4.749	21	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:4:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(CHHN)	C(C[6]C[6,6a]C[6]C)(CH3)(H)2	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(CHHN){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6,6a]C[6]C)(CH3)(H)2	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	111.1210	0.000	1	111.1210	0.000	1	110.7481	5.492	15	111.2016	4.749	21	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:4:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:P-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CHHP)(CH3)	C(C[6]C[6,6a]C[6]C)(PCCO)(H)2	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CHHP)(CH3){1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]C)(PCCO)(H)2	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	111.8020	0.000	1	111.8020	0.000	1	111.8020	0.000	1	111.2016	4.749	21	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:4:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:S-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CHHS)(CH3)	C(C[6]C[6,6a]C[6]C)(SC[6a]OO)(H)2	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CHHS)(CH3){1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]C)(SC[6a]OO)(H)2	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	113.6000	0.000	1	113.6000	0.000	1	113.6000	0.000	1	111.2016	4.749	21	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:4:1:1:	3:3:4:	C[6,6a]-3:N[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CCHH)2	C(C[6]C[6,6a]N[6]C)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CCHH)2{1|H<1>,1|N<2>,3|C<3>}	C(C[6]C[6,6a]N[6]C)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CC){2|C<3>,3|H<1>}	111.3050	1.482	2	111.3050	2.197	2	112.1522	1.757	4	111.2016	4.749	21	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:4:1:1:	3:3:4:	C[6,6a]-3:N[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]N[6])(CCHH)2	C(C[6]C[6,6a]N[6]C)(CH3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]N[6])(CCHH)2{1|H<1>,5|C<3>}	C(C[6]C[6,6a]N[6]C)(CH3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CC){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	112.9995	0.450	2	112.9995	0.203	2	112.1522	1.757	4	111.2016	4.749	21	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:4:1:1:	3:4:2:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O[6a]-2:	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[4,6]O)(CCHH)(CH3)	C(C[6]C[6,6a]C[6]C)(CH3)(H)2	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6]C[6]CC)(O[6a]C[6a])	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[4,6]O)(CCHH)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[6,6a]C[6]C)(CH3)(H)2	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6]C[6]CC)(O[6a]C[6a]){1|C<3>,1|H<1>,2|O<1>,3|C<4>}	107.7105	0.235	2	107.7105	0.055	2	107.7105	0.055	2	107.7105	0.055	2	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:4:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(CH3)	C(C[6]C[6,6a]2C)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(CH3){1|O<2>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	109.7905	0.104	2	109.7905	0.011	2	109.4572	0.154	6	109.2370	0.467	7	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:4:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)2	C(C[6]C[6,6a]2C)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)2{1|N<3>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	109.2905	0.376	4	109.2905	0.141	4	109.4572	0.154	6	109.2370	0.467	7	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CCHH)	C(C[6]C[6,6a]C[6a]C[6])(CH3)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CCHH){1|N<3>,1|O<2>,3|H<1>,5|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(CH3)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	107.9160	0.000	1	107.9160	0.000	1	107.9160	0.000	1	109.2370	0.467	7	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:4:	4:4:3:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH)(CH3)	C(C[6]C[6,6a]C[6]C)(CCHH)(CCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH)(CH3){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]C)(CCHH)(CCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){2|C<3>,5|H<1>}	108.5010	0.000	1	108.5010	0.000	1	108.5010	0.000	1	108.5010	0.000	1	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:2:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:C-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(CC[6a]HH)(O[6]C[6])(H)	C(C[6]C[6,6a]O[6]H)(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6a]HH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C(C[6]C[6,6a]O[6]H)(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH){2|O<2>,4|C<3>}	115.7140	0.000	1	115.7140	0.000	1	115.7140	0.000	1	115.7140	0.000	1	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:2:1:	4:3:3:1:	3:3:4:	C[6,6a]-3:C-4:N[6]-2:H-1:	C[6]-4:C[6a]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(CC[6a]CH)(N[6]C[6])(H)	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CCO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6a]CH)(N[6]C[6])(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CCO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,2|C<3>,3|H<1>}	114.6260	0.000	2	114.6260	0.000	2	112.9207	8.724	3	113.0930	4.783	5	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:2:1:	4:3:3:1:	3:3:4:	C[6,6a]-3:C-4:N[6]-2:H-1:	C[6]-4:C[6a]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(CC[6a]CH)(N[6]C[6])(H)	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CNO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6a]CH)(N[6]C[6])(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CNO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|N<3>,2|C<3>,3|H<1>}	109.5100	0.000	1	109.5100	0.000	1	112.9207	8.724	3	113.0930	4.783	5	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:2:1:	4:3:3:1:	3:3:4:	C[6,6a]-3:C-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(CC[6a]CH)(O[6]C[6])(H)	C(C[6]C[6,6a]O[6]H)(C[6a]C[6a]2)(CC[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6a]CH)(O[6]C[6])(H){1|H<1>,4|C<3>}	C(C[6]C[6,6a]O[6]H)(C[6a]C[6a]2)(CC[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH){2|C<3>,3|H<1>}	113.3515	1.208	2	113.3515	1.460	2	113.3515	1.460	2	113.0930	4.783	5	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:2:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:S-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(SC[6a])(CH3)	C(C[6]C[6,6a]C[6]S)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CS)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(SC[6a])(CH3){2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]S)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CS){1|O<2>,2|C<3>,4|H<1>}	113.9030	0.000	1	113.9030	0.000	1	113.9030	0.000	1	113.9030	0.000	1	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:3:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]2)(CH3)	C(C[6]C[6,6a]C[6]2)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]2C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]2)(CH3){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C(C[6]C[6,6a]C[6]2)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]2C){1|C<4>,3|C<3>,4|H<1>}	108.0800	0.000	1	108.9875	1.647	2	108.9875	1.647	2	108.9875	1.647	2	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:3:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]2)(CH3)	C(C[6]C[6,6a]C[6]2)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]2C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]2)(CH3){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]2)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]2C){1|C<4>,3|C<3>,4|H<1>}	109.8950	0.000	1	108.9875	1.647	2	108.9875	1.647	2	108.9875	1.647	2	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:3:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[5]-4:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[6]C[6]O)(CH3)	C(C[6]C[6,6a]C[5]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C(C[6]C[6,6a]C[5]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]C[6]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	110.8940	0.000	1	110.8940	0.000	1	110.8940	0.000	1	110.8940	0.000	1	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:3:4:	4:3:1:1:	3:4:3:	C[6,6a]-3:C[5]-4:C[6]-3:C-4:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]2H)(C[6]C[6]O)(CCHH)	C(C[6]C[6,6a]C[5]C[6])(CCH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]2H)(C[6]C[6]O)(CCHH){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C(C[6]C[6,6a]C[5]C[6])(CCH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]C[6]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	110.7820	0.000	1	110.7820	0.000	1	110.7820	0.000	1	110.7820	0.000	1	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:3:4:	4:4:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]2)(CCHH)	C(C[6]C[6,6a]C[6a]C[6])(CH3)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]2)(CCHH){1|N<3>,1|O<2>,2|H<1>,6|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(CH3)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	111.0180	0.000	1	111.0180	0.000	1	111.0180	0.000	1	111.0180	0.000	1	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:Cl-1:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(CClHH)(H)	C(C[6]C[6,6a]C[6]H)(Cl)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(CClHH)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(Cl)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]CH){1|O<1>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	106.7370	1.475	2	106.7370	2.176	2	106.7370	2.176	2	112.2976	5.397	61	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:Cl-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CClHH)(H)	C(C[6]C[6,6a]C[6]H)(Cl)(H)2	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CClHH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(Cl)(H)2	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|C<3>,4|H<1>}	114.0610	0.000	1	114.0610	0.000	1	114.0610	0.000	1	112.2976	5.397	61	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6a]C[6]H)(H)3	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]CH)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(H)3	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]CH){2|C<4>,3|C<3>,5|H<1>}	110.2880	0.000	1	110.2880	0.000	1	110.2880	0.000	1	112.2976	5.397	61	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6a]C[6]H)(H)3	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(H)3	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(C[6]C[6]CH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	111.9570	0.000	1	111.9570	0.000	1	112.6410	1.268	8	112.2976	5.397	61	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]CH)(CH3)(H)	C(C[6]C[6,6a]C[6]H)(H)3	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]CH)(CH3)(H){2|C<3>,2|C<4>}	C(C[6]C[6,6a]C[6]H)(H)3	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(C[6]C[6]CH){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	113.1870	0.000	1	113.1870	0.000	1	112.6410	1.268	8	112.2976	5.397	61	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]HH)(CH3)(H)	C(C[6]C[6,6a]C[6]H)(H)3	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]HH)(CH3)(H){1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(H)3	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]CH){1|O<2>,3|C<3>,3|H<1>}	112.7750	1.605	4	112.7750	2.577	4	112.6410	1.268	8	112.2976	5.397	61	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]HH)(CH3)(H)	C(C[6]C[6,6a]C[6]H)(H)3	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]HH)(CH3)(H){1|O<2>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(H)3	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(C[6]C[6]CH){1|O<2>,3|C<3>,3|H<1>}	112.4420	0.475	2	112.4420	0.226	2	112.6410	1.268	8	112.2976	5.397	61	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(CH3)(H)	C(C[6]C[6,6a]C[6]H)(H)3	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]O)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(CH3)(H){1|O<2>,4|C<3>}	C(C[6]C[6,6a]C[6]H)(H)3	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]O)(C[6]C[6]CH){1|O<2>,2|H<1>,4|C<3>}	110.4800	0.000	1	110.4800	0.000	1	110.4800	0.000	1	112.2976	5.397	61	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(CH3)(H)	C(C[6]C[6,6a]C[6]H)(H)3	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(H)3	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,2|C<4>,5|H<1>}	113.9870	0.479	2	113.9870	0.230	2	112.8795	4.512	41	112.2976	5.397	61	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CC)(CH3)(H)	C(C[6]C[6,6a]C[6]H)(H)3	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CC)(CH3)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C(C[6]C[6,6a]C[6]H)(H)3	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|H<1>,1|N<3>,2|C<2>,2|C<4>}	114.0100	0.748	4	114.0100	0.559	4	112.8795	4.512	41	112.2976	5.397	61	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(CH3)(H)	C(C[6]C[6,6a]C[6]H)(H)3	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(CH3)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]H)(H)3	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,3|C<3>,3|H<1>}	110.2300	0.000	1	110.2300	0.000	1	112.8795	4.512	41	112.2976	5.397	61	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)(H)	C(C[6]C[6,6a]C[6]H)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	114.2170	0.000	1	114.2170	0.000	1	112.8795	4.512	41	112.2976	5.397	61	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CH3)(H)	C(C[6]C[6,6a]C[6]H)(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C(C[6]C[6,6a]C[6]H)(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	113.7240	0.000	1	113.7240	0.000	1	112.8795	4.512	41	112.2976	5.397	61	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3)(H)	C(C[6]C[6,6a]C[6]H)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]I)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3)(H){1|I<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]I)(C[6]C[6]CH){1|O<2>,2|H<1>,3|C<3>}	112.3870	0.000	1	112.3870	0.000	1	112.8795	4.512	41	112.2976	5.397	61	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6a]C[6]H)(H)3	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[6,6a]C[6]H)(H)3	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]CH){2|C<3>,2|C<4>,4|H<1>}	110.4960	0.000	1	110.9265	0.371	2	112.8795	4.512	41	112.2976	5.397	61	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6a]C[6]H)(H)3	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|F<1>,1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[6,6a]C[6]H)(H)3	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]CH){2|C<3>,2|C<4>,4|H<1>}	111.3570	0.000	1	110.9265	0.371	2	112.8795	4.512	41	112.2976	5.397	61	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6a]C[6]H)(H)3	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]F)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,2|C<3>,2|F<1>}	C(C[6]C[6,6a]C[6]H)(H)3	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]F)(C[6]C[6]CH){2|C<3>,2|C<4>,4|H<1>}	111.4400	0.000	1	111.4400	0.000	1	112.8795	4.512	41	112.2976	5.397	61	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6a]C[6]H)(H)3	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|F<1>,1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(H)3	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]CH){2|C<3>,2|C<4>,4|H<1>}	110.6450	0.000	1	110.6450	0.000	1	112.8795	4.512	41	112.2976	5.397	61	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6a]C[6]H)(H)3	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(H)3	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	115.1131	0.523	7	115.1131	0.274	7	112.8795	4.512	41	112.2976	5.397	61	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6a]C[6]H)(H)3	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|N<3>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(H)3	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){2|C<3>,2|C<4>,3|H<1>}	109.9545	0.183	2	109.9545	0.034	2	112.8795	4.512	41	112.2976	5.397	61	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6a]C[6]H)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	114.3260	0.000	1	114.3260	0.000	1	112.8795	4.512	41	112.2976	5.397	61	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6a]C[6]H)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]CH){1|O<2>,3|C<3>,3|H<1>}	108.7500	0.000	1	108.7500	0.000	1	112.8795	4.512	41	112.2976	5.397	61	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6a]C[6]H)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	115.0080	0.000	1	113.2560	2.320	3	112.8795	4.512	41	112.2976	5.397	61	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6a]C[6]H)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	112.3800	0.190	2	113.2560	2.320	3	112.8795	4.512	41	112.2976	5.397	61	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6a]C[6]H)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,1|O<2>,1|S<4>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CH){1|C<4>,2|C<3>,5|H<1>}	115.3580	0.000	1	115.3580	0.000	1	112.8795	4.512	41	112.2976	5.397	61	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6a]C[6]H)(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C(C[6]C[6,6a]C[6]H)(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	113.6560	0.000	1	113.6030	0.006	2	112.8795	4.512	41	112.2976	5.397	61	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6a]C[6]H)(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|N<3>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|F<1>,4|H<1>}	113.5500	0.000	1	113.6030	0.006	2	112.8795	4.512	41	112.2976	5.397	61	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6a]C[6]H)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|H<1>,3|C<3>}	115.3920	0.000	1	115.3920	0.000	1	112.8795	4.512	41	112.2976	5.397	61	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6a]C[6]H)(H)3	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a,6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(H)3	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a,6a]H)(C[6]C[6]CH){2|C<3>,2|C<4>,2|H<1>}	113.6850	0.000	1	113.6850	0.000	1	112.8795	4.512	41	112.2976	5.397	61	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)(H)	C(C[6]C[6,6a]C[6]H)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]C)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]C)(C[6]C[6]CH){2|H<1>,2|O<2>,3|C<3>}	108.9850	0.000	1	108.9850	0.000	1	112.8795	4.512	41	112.2976	5.397	61	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)(H)	C(C[6]C[6,6a]C[6]H)(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)(H){1|N<3>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]H)(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,1|S<4>,3|H<1>}	110.6780	0.000	1	110.6780	0.000	1	112.8795	4.512	41	112.2976	5.397	61	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]SiH)(CH3)(H)	C(C[6]C[6,6a]C[6]H)(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]SiH)(CH3)(H){1|N<3>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]H)(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Si<4>,1|C<3>,1|C<4>,1|S<4>,3|H<1>}	112.7670	0.000	1	112.7670	0.000	1	112.8795	4.512	41	112.2976	5.397	61	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]Nb[6,6]HH)(CH3)(H)	C(C[6]C[6,6a]C[6]H)(H)3	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]Nb[6,6]HH)(CH3)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|N<3>}	C(C[6]C[6,6a]C[6]H)(H)3	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|Nb<5>,1|C<4>,2|C<3>,3|H<1>}	113.9755	0.197	2	113.9755	0.039	2	112.8795	4.512	41	112.2976	5.397	61	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(CH3)(H)	C(C[6]C[6,6a]C[6]H)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(CH3)(H){1|C<4>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]CH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,3|O<2>}	109.7665	0.688	2	109.7665	0.473	2	112.8795	4.512	41	112.2976	5.397	61	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CO)(CH3)(H)	C(C[6]C[6,6a]C[6]H)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CO)(CH3)(H){1|C<4>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<1>,4|O<2>}	109.4500	0.000	1	109.4500	0.000	1	112.8795	4.512	41	112.2976	5.397	61	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:N[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6a]C[6]H)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]H)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	110.8190	0.000	1	110.8190	0.000	1	110.8190	0.000	1	112.2976	5.397	61	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]HH)(CH3)(H)	C(C[6]C[6,6a]C[6]H)(H)3	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6]C[6]CH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]HH)(CH3)(H){5|C<3>}	C(C[6]C[6,6a]C[6]H)(H)3	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6]C[6]CH){1|C<4>,4|C<3>,4|H<1>}	109.0770	0.000	1	109.0770	0.000	1	109.0770	0.000	1	112.2976	5.397	61	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:I-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]HH)(CHHI)(H)	C(C[6]C[6,6a]C[6]H)(H)2(I)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]CH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]HH)(CHHI)(H){1|C<4>,1|S<4>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(H)2(I)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]CH){1|N<3>,4|C<3>,5|H<1>}	109.1177	0.898	3	109.1177	0.806	3	109.1177	0.806	3	112.2976	5.397	61	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6,6a]-3:N[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6a]N[6]H)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]HH)(CH3)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C(C[6]C[6,6a]N[6]H)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]N[6]CH){1|C<4>,2|C<3>,5|H<1>}	112.7060	0.573	2	112.7060	0.328	2	112.7060	0.328	2	112.2976	5.397	61	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6]-4:F-1:F-1:F-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CF3)(H)	C(C[6]C[6,6a]C[5,6]H)(F)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CF3)(H){2|C<4>,3|C<3>,4|H<1>}	C(C[6]C[6,6a]C[5,6]H)(F)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	110.7490	0.000	1	110.7490	0.000	1	110.7490	0.000	1	113.0553	4.813	15	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(CH3)(H)	C(C[6]C[6,6a]C[5,6]H)(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(CH3)(H){1|N<3>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]C[5,6]H)(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	114.3090	0.000	1	114.3090	0.000	1	114.8529	0.362	7	113.0553	4.813	15	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(CH3)(H)	C(C[6]C[6,6a]C[5,6]H)(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(CH3)(H){1|N<3>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]C[5,6]H)(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,1|S<4>,3|H<1>}	114.7050	0.000	1	114.7050	0.000	1	114.8529	0.362	7	113.0553	4.813	15	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(CH3)(H)	C(C[6]C[6,6a]C[5,6]H)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(CH3)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C(C[6]C[6,6a]C[5,6]H)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	115.8600	0.000	1	115.2218	0.231	4	114.8529	0.362	7	113.0553	4.813	15	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(CH3)(H)	C(C[6]C[6,6a]C[5,6]H)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(CH3)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C(C[6]C[6,6a]C[5,6]H)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	115.0090	0.274	3	115.2218	0.231	4	114.8529	0.362	7	113.0553	4.813	15	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(CH3)(H)	C(C[6]C[6,6a]C[5,6]H)(H)3	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(CH3)(H){2|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6,6a]C[5,6]H)(H)3	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	114.0690	0.000	1	114.0690	0.000	1	114.8529	0.362	7	113.0553	4.813	15	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6]-4:F-1:F-1:F-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(CF3)(H)	C(C[6]C[6,6a]C[6,6]H)(F)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(CF3)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|N<3>}	C(C[6]C[6,6a]C[6,6]H)(F)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){3|C<3>,3|C<4>}	109.1710	0.000	1	109.1710	0.000	1	109.1710	0.000	1	113.0553	4.813	15	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2C)(CH3)(H)	C(C[6]C[6,6a]C[6,6]H)(H)3	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2C)(CH3)(H){1|C<3>,1|N<2>,3|H<1>,4|C<4>}	C(C[6]C[6,6a]C[6,6]H)(H)3	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	108.8190	0.000	1	108.8190	0.000	1	111.9900	3.075	6	113.0553	4.813	15	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)(H)	C(C[6]C[6,6a]C[6,6]H)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6,6]H)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	113.0525	0.521	2	113.0525	0.272	2	111.9900	3.075	6	113.0553	4.813	15	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(CH3)(H)	C(C[6]C[6,6a]C[6,6]H)(H)3	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(CH3)(H){1|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6,6]H)(H)3	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	113.5240	0.000	1	113.5240	0.000	1	111.9900	3.075	6	113.0553	4.813	15	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(CH3)(H)	C(C[6]C[6,6a]C[6,6]H)(H)3	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(CH3)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6,6]H)(H)3	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	111.3460	0.000	1	111.3460	0.000	1	111.9900	3.075	6	113.0553	4.813	15	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(CH3)(H)	C(C[6]C[6,6a]C[6,6]H)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(CH3)(H){1|H<1>,2|C<3>,4|C<4>}	C(C[6]C[6,6a]C[6,6]H)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]C){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	112.1460	0.000	1	112.1460	0.000	1	111.9900	3.075	6	113.0553	4.813	15	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:2:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CN)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]H)(CN)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){2|C<4>,3|C<3>,3|H<1>}	112.1333	2.736	3	112.1333	7.486	3	112.1333	7.486	3	108.3608	10.035	11	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:2:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]H)(CHHO)(H)	C(C[6]C[6,6a]C[6]H)(OS)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]H)(CHHO)(H){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	C(C[6]C[6,6a]C[6]H)(OS)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	107.3940	0.000	1	107.3940	0.000	1	106.9461	3.810	8	108.3608	10.035	11	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:2:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHHO)(H)	C(C[6]C[6,6a]C[6]H)(OC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHHO)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]H)(OC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,2|C<4>,5|H<1>}	105.5963	0.698	3	105.5963	0.487	3	106.9461	3.810	8	108.3608	10.035	11	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:2:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHO)(H)	C(C[6]C[6,6a]C[6]H)(OC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHO)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(OC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CH){1|C<3>,1|C<4>,6|H<1>}	110.3110	0.000	1	110.3110	0.000	1	106.9461	3.810	8	108.3608	10.035	11	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:2:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CHHO)(H)	C(C[6]C[6,6a]C[6]H)(OC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CHHO)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]H)(OC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	109.3790	0.000	1	109.3790	0.000	1	106.9461	3.810	8	108.3608	10.035	11	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:2:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CHHO)(H)	C(C[6]C[6,6a]C[6]H)(OS)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CHHO)(H){2|H<1>,5|C<3>}	C(C[6]C[6,6a]C[6]H)(OS)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){3|C<3>,4|H<1>}	105.8480	0.614	2	105.8480	0.377	2	106.9461	3.810	8	108.3608	10.035	11	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:2:1:1:	3:4:3:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	N[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]N[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(CHHO)(H)	C(C[6]C[6,6a]C[5,6]H)(OH)(H)2	C[6,6a](N[6,6a]C[5,6]C[6a])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]N[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(CHHO)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6a]C[5,6]H)(OH)(H)2	C[6,6a](N[6,6a]C[5,6]C[6a])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	110.3773	2.744	3	110.3773	7.530	3	110.3773	7.530	3	110.5200	5.102	4	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:2:1:1:	3:4:3:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]2)(CHHO)(H)	C(C[6]C[6,6a]C[6,6]H)(OC)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]2)(CHHO)(H){2|C<4>,5|C<3>}	C(C[6]C[6,6a]C[6,6]H)(OC)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]C){2|O<2>,5|C<3>}	110.9480	0.000	1	110.9480	0.000	1	110.9480	0.000	1	110.5200	5.102	4	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(CCHH)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	112.8740	0.000	1	112.8740	0.000	1	112.6569	3.551	43	112.2285	4.284	63	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(COO)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(CCHH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(COO)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	112.8657	1.092	3	112.3424	1.130	5	112.6569	3.551	43	112.2285	4.284	63	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(COO)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(CCHH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(COO)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|C<3>,3|H<1>}	111.5575	0.286	2	112.3424	1.130	5	112.6569	3.551	43	112.2285	4.284	63	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CH)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CH)(CCHH)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<2>,1|N<2>,2|C<3>,3|H<1>}	112.6130	0.000	1	112.6130	0.000	1	112.6569	3.551	43	112.2285	4.284	63	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CHN)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CCHH)(H){1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]H)(CHN)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){3|C<3>,4|H<1>}	112.7335	4.143	2	112.7335	17.164	2	112.6569	3.551	43	112.2285	4.284	63	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(COO)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(CCHH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C(C[6]C[6,6a]C[6]H)(COO)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|C<3>,3|H<1>}	111.7007	1.327	3	111.8032	0.801	6	112.6569	3.551	43	112.2285	4.284	63	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(COO)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(CCHH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(COO)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	112.1585	0.197	2	111.8032	0.801	6	112.6569	3.551	43	112.2285	4.284	63	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(COO)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(CCHH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(COO)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|C<3>,3|H<1>}	111.4000	0.000	1	111.8032	0.801	6	112.6569	3.551	43	112.2285	4.284	63	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CCH)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(CCH)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){3|C<3>,3|H<1>}	112.3030	0.000	1	112.3030	0.000	1	112.6569	3.551	43	112.2285	4.284	63	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(COO)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(COO)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){2|C<3>,2|C<4>,3|H<1>}	111.7290	0.000	1	111.7290	0.000	1	112.6569	3.551	43	112.2285	4.284	63	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(COO)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(COO)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	110.9175	0.111	2	110.9175	0.012	2	112.6569	3.551	43	112.2285	4.284	63	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	115.4370	0.000	1	115.4370	0.000	1	112.6569	3.551	43	112.2285	4.284	63	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CS)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(COO)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CS)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(COO)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	113.7930	0.000	1	113.7930	0.000	1	112.6569	3.551	43	112.2285	4.284	63	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,2|C<3>,3|H<1>}	112.5140	0.000	1	111.2310	3.292	2	112.6569	3.551	43	112.2285	4.284	63	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,4|H<1>}	109.9480	0.000	1	111.2310	3.292	2	112.6569	3.551	43	112.2285	4.284	63	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(COO)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(COO)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	115.1180	0.000	1	115.1180	0.000	1	112.6569	3.551	43	112.2285	4.284	63	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CC[6a]C[5])(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(CC[6a]C[5])(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	111.7510	0.000	1	111.7510	0.000	1	112.6569	3.551	43	112.2285	4.284	63	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,1|S<4>,3|H<1>}	115.5977	0.669	3	115.5977	0.448	3	112.6569	3.551	43	112.2285	4.284	63	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	112.9150	0.000	1	113.2338	1.977	5	112.6569	3.551	43	112.2285	4.284	63	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	111.0290	0.000	1	113.2338	1.977	5	112.6569	3.551	43	112.2285	4.284	63	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	114.3805	0.514	2	113.2338	1.977	5	112.6569	3.551	43	112.2285	4.284	63	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H){1|O<2>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	113.4640	0.000	1	113.2338	1.977	5	112.6569	3.551	43	112.2285	4.284	63	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CNO)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H){1|O<2>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(CNO)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	112.6590	0.000	1	112.6590	0.000	1	112.6569	3.551	43	112.2285	4.284	63	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(COO)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H){1|S<2>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(COO)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	111.6190	0.000	1	111.6190	0.000	1	112.6569	3.551	43	112.2285	4.284	63	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(COO)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(COO)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|H<1>,1|S<4>,2|C<3>,2|F<1>}	109.4230	0.000	1	109.1795	0.119	2	112.6569	3.551	43	112.2285	4.284	63	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(COO)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(COO)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	108.9360	0.000	1	109.1795	0.119	2	112.6569	3.551	43	112.2285	4.284	63	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]C)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]C)(CCHH)(H){1|C<4>,1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|O<2>,3|C<3>,4|H<1>}	110.3260	0.000	1	110.3260	0.000	1	112.6569	3.551	43	112.2285	4.284	63	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	111.9130	0.000	1	111.9130	0.000	1	112.6569	3.551	43	112.2285	4.284	63	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CCO)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(CCHH)(H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(CCO)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|S<4>,4|H<1>}	115.7490	0.000	1	115.7490	0.000	1	112.6569	3.551	43	112.2285	4.284	63	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(CCHH)(H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|S<4>,4|H<1>}	114.2487	1.279	3	114.2487	1.636	3	112.6569	3.551	43	112.2285	4.284	63	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CC[6a]HH)(H)	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CC[6a]HH)(H){1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|N<3>,6|H<1>}	111.2050	0.000	1	111.2050	0.000	1	111.2050	0.000	1	112.2285	4.284	63	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]HH)(CHHN)(H)	C(C[6]C[6,6a]C[6]H)(NOO)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]HH)(CHHN)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(NOO)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	108.9950	0.000	1	108.9950	0.000	1	111.3256	5.131	16	112.2285	4.284	63	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CHHN)(H)	C(C[6]C[6,6a]C[6]H)(NOO)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CHHN)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(NOO)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|H<1>,3|C<3>}	115.0380	0.000	1	115.0380	0.000	1	111.3256	5.131	16	112.2285	4.284	63	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHHN)(H)	C(C[6]C[6,6a]C[6]H)(NOO)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHHN)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(NOO)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	110.1975	2.057	2	110.1975	4.231	2	111.3256	5.131	16	112.2285	4.284	63	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHHN)(H)	C(C[6]C[6,6a]C[6]H)(NOO)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHHN)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(NOO)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	111.1500	0.000	1	111.1663	0.002	3	111.3256	5.131	16	112.2285	4.284	63	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHHN)(H)	C(C[6]C[6,6a]C[6]H)(NOO)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHHN)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(NOO)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|C<3>,3|H<1>}	111.1745	0.067	2	111.1663	0.002	3	111.3256	5.131	16	112.2285	4.284	63	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CHHN)(H)	C(C[6]C[6,6a]C[6]H)(NOO)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CHHN)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(NOO)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	113.7320	0.100	2	113.7320	0.010	2	111.3256	5.131	16	112.2285	4.284	63	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(H)	C(C[6]C[6,6a]C[6]H)(NHS)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(NHS)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]CH){1|C<3>,1|C<4>,6|H<1>}	110.5630	0.000	1	110.5630	0.000	1	111.3256	5.131	16	112.2285	4.284	63	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(H)	C(C[6]C[6,6a]C[6]H)(NOO)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(NOO)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	113.9740	0.000	1	113.9740	0.000	1	111.3256	5.131	16	112.2285	4.284	63	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(H)	C(C[6]C[6,6a]C[6]H)(NOO)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(NOO)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,5|H<1>}	109.7710	0.000	1	109.7710	0.000	1	111.3256	5.131	16	112.2285	4.284	63	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(H)	C(C[6]C[6,6a]C[6]H)(NOO)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C(C[6]C[6,6a]C[6]H)(NOO)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	110.2400	2.290	2	109.2677	5.457	3	111.3256	5.131	16	112.2285	4.284	63	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(H)	C(C[6]C[6,6a]C[6]H)(NOO)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(H){2|C<3>,2|H<1>,2|O<2>}	C(C[6]C[6,6a]C[6]H)(NOO)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,4|H<1>}	107.3230	0.000	1	109.2677	5.457	3	111.3256	5.131	16	112.2285	4.284	63	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CHHN)(H)	C(C[6]C[6,6a]C[6]H)(NOO)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CHHN)(H){2|H<1>,2|O<2>,4|C<3>}	C(C[6]C[6,6a]C[6]H)(NOO)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	113.7070	0.000	1	113.7070	0.000	1	111.3256	5.131	16	112.2285	4.284	63	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CHHN)(H)	C(C[6]C[6,6a]C[6]H)(NOO)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]CH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CHHN)(H){1|C<4>,2|O<2>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(NOO)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]CH){1|C<4>,3|C<3>,4|H<1>}	108.1320	0.000	1	108.1320	0.000	1	108.1320	0.000	1	112.2285	4.284	63	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:N[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CC)(CC[6a]HH)(H)	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CC)(CC[6a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]N[6]CH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	112.9730	0.000	1	112.9730	0.000	1	112.8015	0.059	2	112.2285	4.284	63	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6,6a]-3:N[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CC)(CC[6a]HH)(H)	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CC)(CC[6a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	112.6300	0.000	1	112.6300	0.000	1	112.8015	0.059	2	112.2285	4.284	63	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:3:1:1:	3:4:3:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[5a,6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[5,6]C[5,6a]C[5,6]H)(CCHH)(H)	C(C[6]C[6,6a]C[5,6]H)(COO)(H)2	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[5,6]C[5,6a]C[5,6]H)(CCHH)(H){1|N<3>,2|H<1>,5|C<3>}	C(C[6]C[6,6a]C[5,6]H)(COO)(H)2	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	112.9290	0.000	1	112.9290	0.000	1	112.9290	0.000	1	111.8101	4.306	16	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:3:1:1:	3:4:3:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(CCHH)(H)	C(C[6]C[6,6a]C[5,6]H)(CC[6a]O)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(CCHH)(H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C(C[6]C[6,6a]C[5,6]H)(CC[6a]O)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	113.2750	2.241	3	113.2750	5.022	3	112.7070	3.856	7	111.8101	4.306	16	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:3:1:1:	3:4:3:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCHH)(H)	C(C[6]C[6,6a]C[5,6]H)(CC[6a]O)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCHH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[5,6]H)(CC[6a]O)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	112.4640	0.000	1	112.4640	0.000	1	112.7070	3.856	7	111.8101	4.306	16	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:3:1:1:	3:4:3:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]N)(CCHH)(H)	C(C[6]C[6,6a]C[5,6]H)(CC[6a]O)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]N)(CCHH)(H){1|N<3>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]C[5,6]H)(CC[6a]O)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,1|S<4>,2|H<1>}	114.9390	0.000	1	114.9390	0.000	1	112.7070	3.856	7	111.8101	4.306	16	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:3:1:1:	3:4:3:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2O[6])(CCHH)(H)	C(C[6]C[6,6a]C[5,6]H)(CC[6a]O)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2O[6])(CCHH)(H){1|O<1>,3|H<1>,5|C<3>}	C(C[6]C[6,6a]C[5,6]H)(CC[6a]O)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	110.8605	0.514	2	110.8605	0.264	2	112.7070	3.856	7	111.8101	4.306	16	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:3:1:1:	3:4:3:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(CC[6a]HH)(H)	C(C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(CC[6a]HH)(H){2|C<3>,3|H<1>,4|C<4>}	C(C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	110.8425	0.337	2	110.8425	0.114	2	110.8425	0.114	2	111.8101	4.306	16	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:3:1:1:	3:4:3:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(CHHN)(H)	C(C[6]C[6,6a]C[5,6]H)(NOO)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(CHHN)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[5,6]H)(NOO)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	114.3130	0.000	1	112.8045	4.551	2	112.8045	4.551	2	111.8101	4.306	16	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:3:1:1:	3:4:3:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(CHHN)(H)	C(C[6]C[6,6a]C[5,6]H)(NOO)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(CHHN)(H){1|O<2>,2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C(C[6]C[6,6a]C[5,6]H)(NOO)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	111.2960	0.000	1	112.8045	4.551	2	112.8045	4.551	2	111.8101	4.306	16	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:3:1:1:	3:4:3:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CHHN)(H)	C(C[6]C[6,6a]C[6,6]H)(NOO)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CHHN)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C(C[6]C[6,6a]C[6,6]H)(NOO)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	108.6320	0.000	1	110.0365	3.945	2	109.9472	4.059	4	111.8101	4.306	16	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:3:1:1:	3:4:3:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CHHN)(H)	C(C[6]C[6,6a]C[6,6]H)(NOO)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CHHN)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6a]C[6,6]H)(NOO)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	111.4410	0.000	1	110.0365	3.945	2	109.9472	4.059	4	111.8101	4.306	16	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:3:1:1:	3:4:3:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(CHHN)(H)	C(C[6]C[6,6a]C[6,6]H)(NOO)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(CHHN)(H){1|C<4>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6,6]H)(NOO)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	107.8330	0.000	1	109.8580	8.201	2	109.9472	4.059	4	111.8101	4.306	16	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:3:1:1:	3:4:3:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(CHHN)(H)	C(C[6]C[6,6a]C[6,6]H)(NOO)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(CHHN)(H){1|C<4>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6,6]H)(NOO)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	111.8830	0.000	1	109.8580	8.201	2	109.9472	4.059	4	111.8101	4.306	16	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:3:2:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHO)(H)	C(C[6]C[6,6a]C[6]H)(CCH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHO)(H){3|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]H)(CCH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	112.2320	0.000	1	112.2320	0.000	1	112.2320	0.000	1	112.2320	0.000	1	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:3:3:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:C-3:H-1:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HN)(CCCH)(H)	C(C[6]C[6,6a]C[6]H)(COO)2(H)	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HN)(CCCH)(H){3|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]H)(COO)2(H)	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	112.4680	0.000	1	112.4680	0.000	1	112.4680	0.000	1	111.8377	2.348	7	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:3:3:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(CCCH)(H)	C(C[6]C[6,6a]C[6]H)(CCH)(COO)(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(CCCH)(H){2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(CCH)(COO)(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,2|C<4>,5|H<1>}	112.7210	0.000	1	112.7210	0.000	1	112.1850	1.872	5	111.8377	2.348	7	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:3:3:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCCH)(H)	C(C[6]C[6,6a]C[6]H)(COO)2(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCCH)(H){1|N<3>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]H)(COO)2(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	112.0960	0.088	2	112.0960	0.008	2	112.1850	1.872	5	111.8377	2.348	7	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:3:3:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCCH)(H)	C(C[6]C[6,6a]C[6]H)(COO)2(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCCH)(H){1|O<2>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]H)(COO)2(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,2|C<4>,3|H<1>}	113.8920	0.000	1	113.8920	0.000	1	112.1850	1.872	5	111.8377	2.348	7	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:3:3:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6,6a]C[6]H)(CCH)(COO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCCH)(H){1|H<1>,1|O<2>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(CCH)(COO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){2|C<3>,5|H<1>}	110.1200	0.000	1	110.1200	0.000	1	112.1850	1.872	5	111.8377	2.348	7	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:3:3:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CC[6]HN)(H)	C(C[6]C[6,6a]C[6]H)(C[6]C[6]2)(NOO)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CC[6]HN)(H){1|O<2>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(C[6]C[6]2)(NOO)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	109.4710	0.000	1	109.4710	0.000	1	109.4710	0.000	1	111.8377	2.348	7	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:3:3:2:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]2O)(H)	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)2(OSi)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]2O)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)2(OSi)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|C<3>,3|H<1>}	110.5140	0.000	1	110.5140	0.000	1	111.8247	1.376	3	111.8247	1.376	3	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:3:3:2:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]2O)(H)	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)2(OH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]2O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)2(OH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|C<3>,4|H<1>}	112.7760	0.000	1	112.7760	0.000	1	111.8247	1.376	3	111.8247	1.376	3	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:3:3:2:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]2O)(H)	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)2(OSi)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]2O)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)2(OSi)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){2|C<3>,4|H<1>}	112.1840	0.000	1	112.1840	0.000	1	111.8247	1.376	3	111.8247	1.376	3	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:3:4:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CC[6a]CH)(H)	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CC[6a]CH)(H){1|O<2>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	113.9200	0.000	1	113.9200	0.000	1	113.9200	0.000	1	113.9200	0.000	1	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:3:4:2:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:C-4:C-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]CC)(H)	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(CCHH)(CN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]CC)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(CCHH)(CN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,6|H<1>}	110.9570	0.013	4	110.9570	0.000	4	110.9570	0.000	4	110.9570	0.000	4	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:3:4:4:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:N-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(CCCN)(H)	C(C[6]C[6,6a]C[6]H)(NC[6a]H)(CH3)2	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(CCCN)(H){1|H<1>,1|N<3>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(NC[6a]H)(CH3)2	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){2|C<4>,2|H<1>,3|C<3>}	111.1050	0.000	1	111.1050	0.000	1	111.1050	0.000	1	111.1050	0.000	1	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:Br-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CBrCH)(H)	C(C[6]C[6,6a]C[6]H)(CBrCH)(Br)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CBrCH)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(CBrCH)(Br)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	118.1280	0.000	1	118.1280	0.000	1	118.1280	0.000	1	111.4046	4.604	25	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]C)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(CCHH)(H){5|C<3>}	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]C)(C[6]C[6]CH){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	109.7160	0.279	2	109.7160	0.078	2	109.7433	0.031	4	111.4046	4.604	25	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]Si[6]CH)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]Si[6]CH)(CCHH)(H){1|H<1>,2|C<4>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|Si<4>,1|C<4>,2|H<1>,3|C<3>}	109.7705	0.110	2	109.7705	0.012	2	109.7433	0.031	4	111.4046	4.604	25	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CH3)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]O)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CCHH)(H){1|O<2>,4|C<3>}	C(C[6]C[6,6a]C[6]H)(CH3)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]O)(C[6]C[6]CH){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	110.5190	0.000	1	110.5190	0.000	1	111.6253	1.853	14	111.4046	4.604	25	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|C<3>,3|H<1>}	111.5670	0.000	1	111.5670	0.000	1	111.6253	1.853	14	111.4046	4.604	25	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CCCH)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|H<1>,1|O<2>,4|C<3>}	C(C[6]C[6,6a]C[6]H)(CCCH)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,4|H<1>}	111.6470	0.000	1	111.6470	0.000	1	111.6253	1.853	14	111.4046	4.604	25	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|O<1>,2|C<3>,3|O<2>}	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>}	110.0760	0.000	1	110.0760	0.000	1	111.6253	1.853	14	111.4046	4.604	25	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	111.8500	0.000	1	111.8500	0.000	1	111.6253	1.853	14	111.4046	4.604	25	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CH3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]H)(CH3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|O<1>,2|C<3>,4|H<1>}	111.0495	2.046	2	111.0495	4.185	2	111.6253	1.853	14	111.4046	4.604	25	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CH3)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|N<3>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]H)(CH3)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,1|C<3>,1|C<4>,4|H<1>}	113.4430	0.000	1	113.4430	0.000	1	111.6253	1.853	14	111.4046	4.604	25	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CHHN)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]H)(CHHN)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	111.7800	0.000	1	111.7800	0.000	1	111.6253	1.853	14	111.4046	4.604	25	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CHHO)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]H)(CHHO)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,2|C<4>,5|H<1>}	110.6130	0.000	1	110.6130	0.000	1	111.6253	1.853	14	111.4046	4.604	25	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CHHS)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(CHHS)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	112.1940	0.000	1	112.1940	0.000	1	111.6253	1.853	14	111.4046	4.604	25	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCHH)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,3|C<3>,3|H<1>}	114.4620	0.000	1	114.4620	0.000	1	111.6253	1.853	14	111.4046	4.604	25	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CF3)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)(H){1|S<4>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(CF3)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,2|O<1>,3|H<1>}	110.1210	0.000	1	110.1210	0.000	1	111.6253	1.853	14	111.4046	4.604	25	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CH3)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(CCHH)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(CH3)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|S<3>,4|H<1>}	112.3830	0.000	1	112.3830	0.000	1	111.6253	1.853	14	111.4046	4.604	25	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[3]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CC[3]HH)(H)	C(C[6]C[6,6a]C[6]H)(C[3]C[3]O[3]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CC[3]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(C[3]C[3]O[3]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	109.4870	0.000	1	109.4870	0.000	1	109.4870	0.000	1	111.4046	4.604	25	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:N[5]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CN[5]HH)(H)	C(C[6]C[6,6a]C[6]H)(N[5]C[5]2H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CN[5]HH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(N[5]C[5]2H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	108.5140	0.000	1	108.5140	0.000	1	108.5140	0.000	1	111.4046	4.604	25	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:S-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CHHS)(H)	C(C[6]C[6,6a]C[6]H)(SC[6a]OO)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CHHS)(H){1|Cl<1>,1|O<2>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(SC[6a]OO)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(C[6]C[6]CH){1|Cl<1>,1|C<3>,1|N<3>,1|O<1>,3|H<1>}	108.9770	0.000	1	108.9770	0.000	1	109.9370	1.843	2	111.4046	4.604	25	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:S-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(CHHS)(H)	C(C[6]C[6,6a]C[6]H)(SC[6a]OO)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(CHHS)(H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(SC[6a]OO)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|S<4>,4|H<1>}	110.8970	0.000	1	110.8970	0.000	1	109.9370	1.843	2	111.4046	4.604	25	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6,6a]-3:N[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CH)(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(CC[6a]HO)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CH)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]H)(CC[6a]HO)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,2|C<4>,5|H<1>}	114.2940	0.000	1	114.2940	0.000	1	114.2940	0.000	1	111.4046	4.604	25	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6,6a]-3:P[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6a]O)(CCHH)(H)	C(C[6]C[6,6a]P[6]H)(CC[6a]HO)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]P[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6a]O)(CCHH)(H){1|H<1>,6|C<3>}	C(C[6]C[6,6a]P[6]H)(CC[6a]HO)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]P[6]CH){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	113.0920	0.000	1	113.0920	0.000	1	113.0920	0.000	1	111.4046	4.604	25	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:4:1:1:	3:4:3:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCHH)(H)	C(C[6]C[6,6a]C[5,6]H)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCHH)(H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6,6a]C[5,6]H)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	114.0910	0.000	1	113.8605	0.106	2	113.8605	0.106	2	113.8605	0.106	2	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:4:1:1:	3:4:3:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCHH)(H)	C(C[6]C[6,6a]C[5,6]H)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCHH)(H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6,6a]C[5,6]H)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	113.6300	0.000	1	113.8605	0.106	2	113.8605	0.106	2	113.8605	0.106	2	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:4:2:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCHO)(H)	C(C[6]C[6,6a]C[6]H)(CH3)(OH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCHO)(H){1|N<3>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]H)(CH3)(OH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	112.1870	0.000	1	112.1870	0.000	1	110.6630	4.645	2	111.1885	2.010	4	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:4:2:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(CCHO)(H)	C(C[6]C[6,6a]C[6]H)(CCHO)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(CCHO)(H){2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(CCHO)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	109.1390	0.000	1	109.1390	0.000	1	110.6630	4.645	2	111.1885	2.010	4	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:4:2:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CCHO)(H)	C(C[6]C[6,6a]C[6]H)(CCHO)(OC)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]CH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CCHO)(H){1|H<1>,2|O<2>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(CCHO)(OC)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]CH){1|C<4>,3|C<3>,4|H<1>}	111.3400	0.000	1	111.3400	0.000	1	111.3400	0.000	1	111.1885	2.010	4	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:4:2:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:P-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHOP)(H)	C(C[6]C[6,6a]C[6]H)(PO3)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHOP)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]H)(PO3)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,6|H<1>}	112.0880	0.000	1	112.0880	0.000	1	112.0880	0.000	1	111.1885	2.010	4	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(CCCH)(H)	C(C[6]C[6,6a]C[6]H)(CCHH)(COO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(CCCH)(H){1|O<2>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(CCHH)(COO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CH){1|O<1>,2|C<3>,2|H<1>,2|O<2>}	113.7690	0.000	1	113.7690	0.000	1	113.7690	0.000	1	113.7690	0.000	1	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:4:4:1:	3:3:4:	C[6,6a]-3:B[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]Br2)(CCCH)(H)	C(C[6]C[6,6a]B[6]H)(CH3)2(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]Br2)(CCCH)(H){1|H<1>,4|C<3>}	C(C[6]C[6,6a]B[6]H)(CH3)2(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]CH){2|Br<1>,1|N<3>,2|C<3>,2|H<1>}	111.5740	0.000	1	111.5740	0.000	1	113.2617	10.471	9	113.4554	6.147	23	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:4:4:1:	3:3:4:	C[6,6a]-3:B[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(CCCH)(H)	C(C[6]C[6,6a]B[6]H)(CH3)2(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(CCCH)(H){1|H<1>,8|C<3>}	C(C[6]C[6,6a]B[6]H)(CH3)2(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]CH){1|N<3>,2|H<1>,4|C<3>}	113.6200	3.981	6	113.6200	15.849	6	113.2617	10.471	9	113.4554	6.147	23	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:4:4:1:	3:3:4:	C[6,6a]-3:B[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]FF)(CCCH)(H)	C(C[6]C[6,6a]B[6]H)(CH3)2(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]FF)(CCCH)(H){1|H<1>,4|C<3>}	C(C[6]C[6,6a]B[6]H)(CH3)2(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]CH){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	113.6610	0.000	1	113.6610	0.000	1	113.2617	10.471	9	113.4554	6.147	23	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:4:4:1:	3:3:4:	C[6,6a]-3:B[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]II)(CCCH)(H)	C(C[6]C[6,6a]B[6]H)(CH3)2(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]II)(CCCH)(H){1|H<1>,4|C<3>}	C(C[6]C[6,6a]B[6]H)(CH3)2(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]CH){1|N<3>,2|C<3>,2|H<1>,2|I<1>}	112.4000	0.000	1	112.4000	0.000	1	113.2617	10.471	9	113.4554	6.147	23	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:4:4:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6,6a]C[6]H)(CH3)2(H)	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH)(CCCH)(H){3|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]H)(CH3)2(H)	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	114.1913	1.017	7	114.1913	1.035	7	114.1913	1.035	7	113.4554	6.147	23	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:4:4:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCCH)(H)	C(C[6]C[6,6a]C[6]H)(CH3)2(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCCH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(CH3)2(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<2>,2|C<3>,3|H<1>}	115.3810	0.000	1	115.3810	0.000	1	112.6898	7.244	6	113.4554	6.147	23	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:4:4:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(CCCH)(H)	C(C[6]C[6,6a]C[6]H)(CH3)2(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(CCCH)(H){1|O<2>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]H)(CH3)2(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	113.6410	0.000	1	113.6410	0.000	1	112.6898	7.244	6	113.4554	6.147	23	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:4:4:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6,6a]C[6]H)(CH3)2(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCCH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]H)(CH3)2(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	111.4830	0.000	1	111.4830	0.000	1	112.6898	7.244	6	113.4554	6.147	23	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:4:4:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6,6a]C[6]H)(CH3)2(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCCH)(H){1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]H)(CH3)2(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|O<1>,2|C<3>,4|H<1>}	111.0740	0.000	1	111.0740	0.000	1	112.6898	7.244	6	113.4554	6.147	23	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:4:4:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]CH)(CCCH)(H)	C(C[6]C[6,6a]C[6]H)(CCHH)(CH3)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]CH)(CCCH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(CCHH)(CH3)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|O<2>,1|S<3>,2|C<4>,2|H<1>}	108.8400	0.000	1	108.8400	0.000	1	112.6898	7.244	6	113.4554	6.147	23	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:4:4:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(CCCH)(H)	C(C[6]C[6,6a]C[6]H)(CHHO)(CH3)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(CCCH)(H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(CHHO)(CH3)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,1|S<4>,2|H<1>}	115.7200	0.000	1	115.7200	0.000	1	112.6898	7.244	6	113.4554	6.147	23	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:4:4:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:Si-4:Si-4:H-1:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]2H)(CSi2H)(H)	C(C[6]C[6,6a]C[6]H)(SiC3)2(H)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]2H)(CSi2H)(H){1|C<4>,3|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]H)(SiC3)2(H)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|H<1>,4|C<3>}	114.6410	0.000	1	114.6410	0.000	1	114.6410	0.000	1	113.4554	6.147	23	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:4:4:1:	3:4:3:	C[6,6a]-3:C[3,6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]N[3]C)(CCCH)(H)	C(C[6]C[6,6a]C[3,6]H)(CH3)2(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[3,6]CH)(C[6a]O[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]N[3]C)(CCCH)(H){1|C<3>,1|H<1>,1|O<1>,3|O<2>}	C(C[6]C[6,6a]C[3,6]H)(CH3)2(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[3,6]CH)(C[6a]O[6a]O){1|C<2>,1|C<4>,1|N<3>,2|C<3>}	114.7860	0.000	1	114.7860	0.000	1	114.7860	0.000	1	114.7860	0.000	1	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:4:4:4:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]CH)(CC3)(H)	C(C[6]C[6,6a]C[6]H)(CH3)3	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]CH)(CC3)(H){2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(CH3)3	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|H<1>,4|C<3>}	111.8040	1.037	3	111.8040	1.076	3	111.8040	1.076	3	112.3941	2.397	7	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:4:4:4:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]CH)(CC3)(H)	C(C[6]C[6,6a]C[6]H)(CH3)3	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]CH)(CC3)(H){2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(CH3)3	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|H<1>,4|C<3>}	110.2560	0.000	1	110.2560	0.000	1	110.2560	0.000	1	112.3941	2.397	7	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:4:4:4:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CC3)(H)	C(C[6]C[6,6a]C[6]H)(CH3)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CC3)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(CH3)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	114.5480	0.000	1	114.5480	0.000	1	113.6970	0.760	3	112.3941	2.397	7	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:1:	4:4:4:4:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC3)(H)	C(C[6]C[6,6a]C[6]H)(CH3)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC3)(H){1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]H)(CH3)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|O<1>,2|C<3>,4|H<1>}	113.2715	0.658	2	113.2715	0.433	2	113.6970	0.760	3	112.3941	2.397	7	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:2:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6]-4:F-1:F-1:F-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FF)(CF3)(OH)	C(C[6]C[6,6a]C[6]O)(F)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FF)(CF3)(OH){1|N<3>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]O)(F)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<3>,1|C<4>,1|O<2>,2|F<1>,2|H<1>}	109.9180	0.000	1	109.9180	0.000	1	109.8560	0.008	2	110.0293	2.279	9	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:2:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6]-4:F-1:F-1:F-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CF3)(OH)	C(C[6]C[6,6a]C[6]O)(F)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CF3)(OH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[6]C[6,6a]C[6]O)(F)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CO){2|C<3>,5|H<1>}	109.7940	0.000	1	109.7940	0.000	1	109.8560	0.008	2	110.0293	2.279	9	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:2:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(CH3)(OH)	C(C[6]C[6,6a]C[6]O)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(CH3)(OH){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	C(C[6]C[6,6a]C[6]O)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CO){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	110.2000	0.000	1	110.2000	0.000	1	110.0417	3.618	6	110.0293	2.279	9	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:2:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CH3)(OH)	C(C[6]C[6,6a]C[6]O)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CH3)(OH){3|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]O)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){2|C<4>,2|H<1>,3|C<3>}	108.3160	0.000	1	108.3160	0.000	1	110.0417	3.618	6	110.0293	2.279	9	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:2:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[6,6a]C[6]O)(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(OH){1|H<1>,1|N<3>,3|C<3>}	C(C[6]C[6,6a]C[6]O)(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|S<4>,2|C<3>,4|H<1>}	112.1285	0.872	2	112.1285	0.760	2	110.0417	3.618	6	110.0293	2.279	9	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:2:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)(OH)	C(C[6]C[6,6a]C[6]O)(H)3	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)(OH){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]O)(H)3	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	109.7920	0.000	1	109.7920	0.000	1	110.0417	3.618	6	110.0293	2.279	9	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:2:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(CH3)(OH)	C(C[6]C[6,6a]C[6]O)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(CH3)(OH){2|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]O)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|F<1>,1|N<3>,2|C<3>,3|H<1>}	107.6850	0.000	1	107.6850	0.000	1	110.0417	3.618	6	110.0293	2.279	9	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:2:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[6,6a]C[6]O)(H)3	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]O[6a])(C[6]C[6]CO)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CH3)(OH){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C(C[6]C[6,6a]C[6]O)(H)3	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]O[6a])(C[6]C[6]CO){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	110.3020	0.000	1	110.3020	0.000	1	110.3020	0.000	1	110.0293	2.279	9	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:2:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)(OH)	C(C[6]C[6,6a]C[6,6]O)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)(OH){1|C<4>,3|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6,6]O)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CO)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	112.9030	0.000	3	112.9030	0.000	3	112.9030	0.000	3	112.9030	0.000	3	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:2:	4:2:1:1:	3:4:3:	C[6,6a]-3:C[6,6]-4:C-4:O-2:	C[6]-4:C-2:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(CCHH)(OH)	C(C[6]C[6,6a]C[6,6]O)(CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(CCHH)(OH){2|C<4>,3|C<3>,6|H<1>}	C(C[6]C[6,6a]C[6,6]O)(CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CO)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	111.8090	0.000	1	111.8090	0.000	1	111.8090	0.000	1	111.8090	0.000	1	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:2:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6]-4:C-3:F-1:F-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCFF)(OH)	C(C[6]C[6,6a]C[6]O)(CNO)(F)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCFF)(OH){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]O)(CNO)(F)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<3>,1|C<4>,6|H<1>}	111.0220	0.000	1	111.0220	0.000	1	111.0220	0.000	1	111.2230	0.816	3	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:2:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6]-4:C-3:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(CCHH)(OH)	C(C[6]C[6,6a]C[6]O)(CCH)(H)2	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(CCHH)(OH){1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]O)(CCH)(H)2	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]CO){1|O<2>,2|H<1>,4|C<3>}	110.4370	0.000	1	110.4370	0.000	1	110.4370	0.000	1	111.2230	0.816	3	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:2:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(CCHH)(OH)	C(C[6]C[6,6a]C[6]O)(COO)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(CCHH)(OH){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	C(C[6]C[6,6a]C[6]O)(COO)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|N<3>,2|C<3>,5|H<1>}	112.2100	0.000	1	112.2100	0.000	1	112.2100	0.000	1	111.2230	0.816	3	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:2:	4:3:3:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]2H)(OH)	C(C[6]C[6,6a]C[6]O)(C[6a]C[6a]2)2(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]2H)(OH){1|O<2>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]O)(C[6a]C[6a]2)2(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<3>,2|C<4>,3|H<1>}	107.3380	3.866	2	107.3380	14.950	2	107.3380	14.950	2	107.3380	14.950	2	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:2:	4:3:4:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6]-4:C[5a]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[5a]CH)(OH)	C(C[6]C[6,6a]C[6]O)(C[5a]N[5a]S[5a])(CH3)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[5a]CH)(OH){1|O<2>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]O)(C[5a]N[5a]S[5a])(CH3)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<3>,1|C<4>,4|H<1>}	112.7160	0.000	1	112.7160	0.000	1	112.7160	0.000	1	112.7160	0.000	1	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:2:	4:4:4:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6]-4:C-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)(CCCH)(OH)	C(C[6]C[6,6a]C[6]O)(CH3)2(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)(CCCH)(OH){1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]O)(CH3)2(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]CO){1|N<2>,3|C<3>,3|H<1>}	114.1210	0.000	1	114.1210	0.000	1	114.1210	0.000	1	114.1210	0.000	1	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:3:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)(CCH)	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)(CCH){1|N<3>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<4>,2|C<3>,4|H<1>}	108.3840	0.000	1	108.3840	0.000	1	109.4288	1.308	6	109.7702	1.265	9	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:3:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(COO)	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(COO){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<4>,2|C<3>,5|H<1>}	110.4700	1.375	2	110.4700	1.890	2	109.4288	1.308	6	109.7702	1.265	9	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:3:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(COO)	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(COO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CC){2|C<3>,2|C<4>,4|H<1>}	109.0830	0.718	3	109.0830	0.515	3	109.4288	1.308	6	109.7702	1.265	9	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:3:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CH3)(COO)	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]CC)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CH3)(COO){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]CC){2|C<4>,3|C<3>,5|H<1>}	110.4530	0.862	3	110.4530	0.743	3	110.4530	0.743	3	109.7702	1.265	9	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:3:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[5,6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)(COO)	C(C[6]C[6,6a]C[5,6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)(COO){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[5,6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	113.6200	0.000	1	113.6200	0.000	1	113.6200	0.000	1	113.6200	0.000	1	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:3:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:N-3:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]HH)(NHS)	C(C[6]C[6,6a]C[6]N)(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]HH)(NHS){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]N)(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CN){1|Br<1>,1|C<3>,1|C<4>,5|H<1>}	111.4780	0.000	1	111.4780	0.000	1	111.4780	0.000	1	111.4780	0.000	1	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:3:	4:4:1:1:	3:4:3:	C[6,6a]-3:C[5,6]-4:C-4:C-3:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCHH)(COO)	C(C[6]C[6,6a]C[5,6]C)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCHH)(COO){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[5,6]C)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	113.4200	0.000	1	113.4200	0.000	1	113.4200	0.000	1	113.4200	0.000	1	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:B[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(B[6]C[5,6]HN)(CH3)2	C(C[6]C[6,6a]B[6]C)(H)3	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(B[6]C[5,6]HN)(CH3)2{1|H<1>,2|C<3>,2|N<3>}	C(C[6]C[6,6a]B[6]C)(H)3	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]CC){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	109.5205	3.270	2	109.5205	10.695	2	109.5205	10.695	2	110.3052	3.263	268	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[5,6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)(CH3)2	C(C[6]C[6,6a]C[5,6]C)(H)3	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]N[6])(C[6]C[5,6]CC)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)(CH3)2{2|N<3>,3|H<1>,4|C<3>}	C(C[6]C[6,6a]C[5,6]C)(H)3	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]N[6])(C[6]C[5,6]CC){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	109.4442	1.457	6	109.4442	2.124	6	109.4442	2.124	6	110.3052	3.263	268	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[5,6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)(CH3)2	C(C[6]C[6,6a]C[5,6]C)(H)3	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[5,6]CC)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)(CH3)2{2|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]C[5,6]C)(H)3	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[5,6]CC){1|C<4>,3|H<1>,5|C<3>}	110.6880	3.633	2	110.6880	13.200	2	110.6880	13.200	2	110.3052	3.263	268	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6,6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(CH3)2	C(C[6]C[6,6a]C[6,6]C)(H)3	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]N[6])(C[6]C[6,6]CC)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(CH3)2{1|N<2>,2|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6,6]C)(H)3	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]N[6])(C[6]C[6,6]CC){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	108.9580	0.502	2	109.3834	0.415	10	109.3834	0.415	10	110.3052	3.263	268	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6,6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(CH3)2	C(C[6]C[6,6a]C[6,6]C)(H)3	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]N[6])(C[6]C[6,6]CC)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(CH3)2{1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6,6]C)(H)3	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]N[6])(C[6]C[6,6]CC){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	109.4943	0.771	6	109.3834	0.415	10	109.3834	0.415	10	110.3052	3.263	268	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6,6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(CH3)2	C(C[6]C[6,6a]C[6,6]C)(H)3	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]N[6])(C[6]C[6,6]CC)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(CH3)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6,6]C)(H)3	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]N[6])(C[6]C[6,6]CC){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	109.4760	0.247	2	109.3834	0.415	10	109.3834	0.415	10	110.3052	3.263	268	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6,6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6,6a]H)(C[6]C[6]CC){1|C<3>,2|H<1>,5|C<4>}	109.4380	2.288	2	109.4380	5.236	2	109.2832	4.812	4	110.3052	3.263	268	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	109.1285	3.017	2	109.1285	9.104	2	109.2832	4.812	4	110.3052	3.263	268	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[5,6a]C[5,6,6a]C[5])(C[6,6a]C[6a]C[6])(C[6]C[6]CC)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(CH3)2{2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[5,6a]C[5,6,6a]C[5])(C[6,6a]C[6a]C[6])(C[6]C[6]CC){2|C<3>,4|H<1>,5|C<4>}	112.2300	2.496	2	112.2300	6.230	2	112.2300	6.230	2	110.3052	3.263	268	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6,6a]-3:C[6a,6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a,6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a,6a]C[6a,6a]O[6a])(C[6]C[6]CC)	C[6](C[6,6a]C[6,6,6a]C[6a,6a])(C[6]C[6]HH)(CH3)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a,6a]C[6a,6a]O[6a])(C[6]C[6]CC){2|H<1>,3|C<3>,3|C<4>}	111.8183	2.953	4	111.8183	8.718	4	111.8183	8.718	4	110.3052	3.263	268	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(CCCH)(CH3)	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(CCCH)(CH3){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	106.8170	0.000	1	106.8170	0.000	1	111.0064	5.273	17	110.3052	3.263	268	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a,6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|N<3>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a,6a]H)(C[6]C[6]CC){2|C<3>,2|H<1>,3|C<4>}	110.8850	1.948	4	110.8850	3.797	4	111.0064	5.273	17	110.3052	3.263	268	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|N<3>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]CC){2|C<3>,2|H<1>,3|C<4>}	111.0867	1.478	6	111.0867	2.184	6	111.0064	5.273	17	110.3052	3.263	268	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]O)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]O)(C[6]C[6]CC){2|C<3>,2|H<1>,3|C<4>}	111.7053	2.881	6	111.7053	8.297	6	111.0064	5.273	17	110.3052	3.263	268	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a,6a]-3:C[5,6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[5,6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a])(C[5,6a]C[5,6a,6a]C[5])(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a,6a]C[5,6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a])(C[5,6a]C[5,6a,6a]C[5])(C[6]C[6]CC){1|C<4>,4|H<1>,5|C<3>}	110.1280	3.485	2	110.1280	12.143	2	110.1280	12.143	2	110.3052	3.263	268	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]CC)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]CC)(CH3)2{1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC){2|C<3>,3|C<4>,3|H<1>}	109.1205	2.225	2	109.1205	4.952	2	110.3123	2.797	214	110.3052	3.263	268	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CC)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CC)(CH3)2{1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC){2|Br<1>,1|H<1>,2|C<3>,3|C<4>}	109.1877	1.527	4	108.9838	2.578	8	110.3123	2.797	214	110.3052	3.263	268	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CC)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CC)(CH3)2{1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC){2|C<3>,3|C<4>,3|H<1>}	108.7798	1.890	4	108.9838	2.578	8	110.3123	2.797	214	110.3052	3.263	268	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	109.9425	1.388	2	109.9425	1.927	2	110.3123	2.797	214	110.3052	3.263	268	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CH3)2{1|O<1>,2|O<2>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]CC){1|C<4>,2|C<3>,2|H<1>}	111.1120	1.401	6	111.1120	1.964	6	110.3123	2.797	214	110.3052	3.263	268	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CH3)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(C[6]C[6]CC){1|C<4>,2|C<3>,3|H<1>}	109.5643	0.860	4	109.5643	0.740	4	110.3123	2.797	214	110.3052	3.263	268	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CH3)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|C<4>,4|H<1>}	110.4440	0.530	2	110.2410	1.407	22	110.3123	2.797	214	110.3052	3.263	268	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CH3)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|P<3>,2|C<4>,2|H<1>}	110.1458	0.848	12	110.2410	1.407	22	110.3123	2.797	214	110.3052	3.263	268	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CH3)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|P<4>,2|C<4>,2|H<1>}	110.3810	2.638	4	110.2410	1.407	22	110.3123	2.797	214	110.3052	3.263	268	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CH3)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC){2|C<3>,2|C<4>,2|H<1>}	110.2850	0.262	4	110.2410	1.407	22	110.3123	2.797	214	110.3052	3.263	268	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CH3)2{1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC){3|C<3>,4|H<1>}	110.8265	3.201	2	110.8265	10.247	2	110.3123	2.797	214	110.3052	3.263	268	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC){2|H<1>,4|C<3>}	110.9630	4.043	2	110.9630	16.348	2	110.3123	2.797	214	110.3052	3.263	268	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3)2{1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]C[6]CC){1|C<3>,2|H<1>,5|C<4>}	110.2553	0.678	8	110.2553	0.459	8	110.3123	2.797	214	110.3052	3.263	268	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FeH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FeH)(CH3)2{1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|Fe<9>,1|C<3>,1|C<4>,4|H<1>}	110.2170	3.254	2	110.2170	10.589	2	110.3123	2.797	214	110.3052	3.263	268	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(CH3)	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(CH3){2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	111.1835	0.794	2	111.1835	0.631	2	110.3123	2.797	214	110.3052	3.263	268	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]2O)(CH3)	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]2O)(CH3){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC){2|C<3>,4|H<1>}	111.0120	0.000	1	111.0120	0.000	1	110.3123	2.797	214	110.3052	3.263	268	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6]CC){1|C<3>,2|H<1>,5|C<4>}	109.6555	0.603	2	109.6555	0.364	2	110.3123	2.797	214	110.3052	3.263	268	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	109.8915	0.647	2	109.6822	1.421	6	110.3123	2.797	214	110.3052	3.263	268	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,2|C<4>,5|H<1>}	109.8435	2.353	2	109.6822	1.421	6	110.3123	2.797	214	110.3052	3.263	268	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<4>,2|C<3>,5|H<1>}	109.3115	0.859	2	109.6822	1.421	6	110.3123	2.797	214	110.3052	3.263	268	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<4>,2|C<3>,5|H<1>}	109.8868	0.649	4	109.8868	0.422	4	110.3123	2.797	214	110.3052	3.263	268	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|O<2>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]CC){1|C<4>,2|C<3>,2|H<1>}	110.5920	1.269	4	110.5683	1.238	6	110.3123	2.797	214	110.3052	3.263	268	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,1|O<1>,2|C<3>,2|O<2>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]CC){1|C<4>,2|C<3>,2|H<1>}	110.5210	1.162	2	110.5683	1.238	6	110.3123	2.797	214	110.3052	3.263	268	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]CC){1|C<3>,3|H<1>,4|C<4>}	109.5743	1.826	6	109.6957	2.532	14	110.3123	2.797	214	110.3052	3.263	268	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]CC){2|C<3>,3|C<4>,3|H<1>}	109.7867	1.516	8	109.6957	2.532	14	110.3123	2.797	214	110.3052	3.263	268	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]C)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]C)(C[6]C[6]CC){1|C<3>,3|H<1>,4|C<4>}	112.8732	3.509	4	112.8732	12.310	4	110.3123	2.797	214	110.3052	3.263	268	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6]CC){2|C<3>,2|H<1>,4|C<4>}	109.8083	0.647	4	109.8083	0.418	4	110.3123	2.797	214	110.3052	3.263	268	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]CC){2|C<3>,3|C<4>,3|H<1>}	109.8862	2.072	4	109.8862	4.292	4	110.3123	2.797	214	110.3052	3.263	268	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|Br<1>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	109.9915	0.730	2	110.0252	1.414	52	110.3123	2.797	214	110.3052	3.263	268	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<4>,2|C<3>,5|H<1>}	109.7055	1.397	2	110.0252	1.414	52	110.3123	2.797	214	110.3052	3.263	268	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|Br<1>,1|C<3>,3|C<4>,3|H<1>}	110.2800	1.633	2	110.0252	1.414	52	110.3123	2.797	214	110.3052	3.263	268	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<2>,1|C<3>,3|C<4>,3|H<1>}	109.7983	1.392	6	110.0252	1.414	52	110.3123	2.797	214	110.3052	3.263	268	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|C<4>,6|H<1>}	109.8750	2.916	2	110.0252	1.414	52	110.3123	2.797	214	110.3052	3.263	268	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|I<1>,3|C<4>,3|H<1>}	109.5165	0.974	2	110.0252	1.414	52	110.3123	2.797	214	110.3052	3.263	268	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,3|C<4>,4|H<1>}	109.9488	1.338	12	110.0252	1.414	52	110.3123	2.797	214	110.3052	3.263	268	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,3|H<1>,4|C<4>}	110.4412	1.496	4	110.0252	1.414	52	110.3123	2.797	214	110.3052	3.263	268	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<4>,2|C<3>,5|H<1>}	109.7610	1.251	4	110.0252	1.414	52	110.3123	2.797	214	110.3052	3.263	268	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){2|C<3>,2|C<4>,4|H<1>}	110.3415	1.199	4	110.0252	1.414	52	110.3123	2.797	214	110.3052	3.263	268	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){2|C<3>,3|C<4>,3|H<1>}	110.0200	0.936	2	110.0252	1.414	52	110.3123	2.797	214	110.3052	3.263	268	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|O<1>,2|C<3>,4|H<1>}	109.8910	2.302	2	110.0252	1.414	52	110.3123	2.797	214	110.3052	3.263	268	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|Br<1>,2|C<3>,2|H<1>,3|C<4>}	110.3005	0.645	8	110.0252	1.414	52	110.3123	2.797	214	110.3052	3.263	268	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<4>,1|I<1>,2|C<3>,2|H<1>}	110.7100	3.770	2	110.9406	4.473	14	110.3123	2.797	214	110.3052	3.263	268	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<4>,1|I<1>,2|C<3>,3|H<1>}	111.2015	2.620	2	110.9406	4.473	14	110.3123	2.797	214	110.3052	3.263	268	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|I<1>,2|C<3>,4|H<1>}	110.9035	2.473	2	110.9406	4.473	14	110.3123	2.797	214	110.3052	3.263	268	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|N<3>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|B<3>,1|C<3>,2|C<4>,3|H<1>}	111.1610	2.387	4	110.9406	4.473	14	110.3123	2.797	214	110.3052	3.263	268	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|N<3>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|I<1>,2|C<4>,3|H<1>}	110.7235	2.100	4	110.9406	4.473	14	110.3123	2.797	214	110.3052	3.263	268	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]CC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	112.3190	3.239	8	112.3190	10.492	8	110.3123	2.797	214	110.3052	3.263	268	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,2|H<1>}	110.1800	0.464	2	110.2531	2.196	16	110.3123	2.797	214	110.3052	3.263	268	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	110.1758	1.348	8	110.2531	2.196	16	110.3123	2.797	214	110.3052	3.263	268	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|H<1>,1|O<2>,4|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,2|H<1>}	109.7223	1.360	4	110.2531	2.196	16	110.3123	2.797	214	110.3052	3.263	268	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|H<1>,1|O<2>,4|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	111.6970	3.015	2	110.2531	2.196	16	110.3123	2.797	214	110.3052	3.263	268	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHI)(CH3)	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHI)(CH3){1|O<2>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,2|H<1>}	109.6120	0.163	2	109.6120	0.026	2	110.3123	2.797	214	110.3052	3.263	268	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCHN)(CH3)	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCHN)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|O<2>,2|C<3>,4|H<1>}	112.0445	0.226	2	112.0445	0.051	2	110.3123	2.797	214	110.3052	3.263	268	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	109.9925	0.344	2	109.9925	0.119	2	110.3123	2.797	214	110.3052	3.263	268	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]RuH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]RuH)(CH3)2{1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|Ru<9>,1|C<3>,1|C<4>,4|H<1>}	109.9975	2.370	4	109.9975	5.619	4	110.3123	2.797	214	110.3052	3.263	268	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(CCHH)(CH3)	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(CCHH)(CH3){2|H<1>,5|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|Si<4>,1|C<4>,2|H<1>,3|C<3>}	112.2830	0.065	2	112.2830	0.004	2	110.3123	2.797	214	110.3052	3.263	268	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]N)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]N)(CH3)2{1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|N<3>,2|H<1>,3|C<3>}	110.8798	1.945	4	110.8798	3.781	4	110.3123	2.797	214	110.3052	3.263	268	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(CHHI)(CH3)	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(CHHI)(CH3){1|C<4>,1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|O<2>,2|C<3>,5|H<1>}	111.2820	0.000	1	111.2820	0.000	1	110.3123	2.797	214	110.3052	3.263	268	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)(CH3)	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	110.5295	0.169	2	110.5295	0.029	2	110.3123	2.797	214	110.3052	3.263	268	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:I-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHI)(CH3)	C(C[6]C[6,6a]C[6]C)(H)2(I)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHI)(CH3){1|O<2>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(H)2(I)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,2|H<1>}	106.2685	0.190	2	106.2685	0.036	2	108.0277	9.302	3	110.3052	3.263	268	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:I-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(CHHI)(CH3)	C(C[6]C[6,6a]C[6]C)(H)2(I)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(CHHI)(CH3){1|C<4>,1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]C)(H)2(I)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|O<2>,2|C<3>,5|H<1>}	111.5460	0.000	1	111.5460	0.000	1	108.0277	9.302	3	110.3052	3.263	268	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6a]-3:N[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]HH)(CH3)2	C(C[6]C[6,6a]N[6]C)(H)3	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]N[6a]C)(C[6]N[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]HH)(CH3)2{1|C<4>,1|N<2>,3|C<3>}	C(C[6]C[6,6a]N[6]C)(H)3	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]N[6a]C)(C[6]N[6]CC){3|C<3>,3|H<1>}	111.8670	3.345	2	111.8670	11.186	2	111.8670	11.186	2	110.3052	3.263	268	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:4:2:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6]CC)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6]CC)(N[6a]C[6a]){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	108.6202	1.109	6	108.6202	1.230	6	108.9556	1.650	12	108.9556	1.650	12	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:4:2:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6]CC)(N[6a]N[6a])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|H<1>,2|N<2>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6]CC)(N[6a]N[6a]){1|C<3>,2|H<1>,3|C<4>}	109.2910	1.459	6	109.2910	2.130	6	108.9556	1.650	12	108.9556	1.650	12	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[5,6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2	C(C[6]C[6,6a]C[5,6]C)(H)3	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6]C[5,6]CC)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C(C[6]C[6,6a]C[5,6]C)(H)3	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6]C[5,6]CC)(C[6a]C[6a]O){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	109.7855	1.900	2	109.7855	3.610	2	109.7855	3.610	2	109.4044	3.172	46	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[5,6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2	C(C[6]C[6,6a]C[5,6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C(C[6]C[6,6a]C[5,6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	109.6370	1.574	2	109.6326	4.764	8	109.8268	3.177	16	109.4044	3.172	46	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[5,6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2	C(C[6]C[6,6a]C[5,6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2{2|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6a]C[5,6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	109.1420	1.498	2	109.6326	4.764	8	109.8268	3.177	16	109.4044	3.172	46	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[5,6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2	C(C[6]C[6,6a]C[5,6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2{2|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6,6a]C[5,6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	109.8130	4.077	2	109.6326	4.764	8	109.8268	3.177	16	109.4044	3.172	46	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[5,6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2	C(C[6]C[6,6a]C[5,6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2{2|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6,6a]C[5,6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	109.9385	3.357	2	109.6326	4.764	8	109.8268	3.177	16	109.4044	3.172	46	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[5,6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2	C(C[6]C[6,6a]C[5,6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C(C[6]C[6,6a]C[5,6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]O){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	110.2385	1.534	2	110.2385	2.352	2	109.8268	3.177	16	109.4044	3.172	46	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[5,6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2	C(C[6]C[6,6a]C[5,6]C)(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2{1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C(C[6]C[6,6a]C[5,6]C)(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CC)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|C<4>,3|H<1>}	110.0830	1.571	4	109.9485	2.247	6	109.8268	3.177	16	109.4044	3.172	46	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[5,6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2	C(C[6]C[6,6a]C[5,6]C)(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2{1|N<4>,2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6,6a]C[5,6]C)(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	109.6795	1.901	2	109.9485	2.247	6	109.8268	3.177	16	109.4044	3.172	46	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[5,6,6]C[6]H)(CH3)2	C(C[6]C[6,6a]C[6,6]C)(H)3	C[6,6a](C[5,6,6a]C[5,5,6]C[5,6a])(C[6]C[6,6]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[5,6,6]C[6]H)(CH3)2{2|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6a]C[6,6]C)(H)3	C[6,6a](C[5,6,6a]C[5,5,6]C[5,6a])(C[6]C[6,6]CC)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	108.8470	1.059	2	108.8470	1.122	2	108.8470	1.122	2	109.4044	3.172	46	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5a,6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)2	C(C[6]C[6,6a]C[6,6]C)(H)3	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[6,6]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)2{1|C<4>,4|C<3>,4|H<1>}	C(C[6]C[6,6a]C[6,6]C)(H)3	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[6,6]CC)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	108.9065	0.596	2	108.9600	1.398	6	108.9600	1.398	6	109.4044	3.172	46	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5a,6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)2	C(C[6]C[6,6a]C[6,6]C)(H)3	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[6,6]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)2{2|C<4>,3|C<3>,4|H<1>}	C(C[6]C[6,6a]C[6,6]C)(H)3	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[6,6]CC)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	108.9868	1.486	4	108.9600	1.398	6	108.9600	1.398	6	109.4044	3.172	46	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(CH3)2	C(C[6]C[6,6a]C[6,6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(CH3)2{1|H<1>,1|O<1>,5|C<3>}	C(C[6]C[6,6a]C[6,6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CC)(C[6a]C[6a]H){1|C<2>,1|O<1>,2|O<2>,3|C<3>}	110.7915	0.018	2	110.7915	0.000	2	108.9742	3.538	18	109.4044	3.172	46	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)2	C(C[6]C[6,6a]C[6,6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)2{1|C<4>,1|S<2>,3|C<3>,4|H<1>}	C(C[6]C[6,6a]C[6,6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	108.2085	0.760	4	108.2350	0.602	6	108.9742	3.538	18	109.4044	3.172	46	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)2	C(C[6]C[6,6a]C[6,6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)2{1|S<2>,2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6,6a]C[6,6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	108.2880	1.127	2	108.2350	0.602	6	108.9742	3.538	18	109.4044	3.172	46	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)2	C(C[6]C[6,6a]C[6,6]C)(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6,6a]C[6,6]C)(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]CC)(C[6a]C[6a]H){1|C<3>,2|H<1>,4|C<4>}	109.2455	1.343	2	109.2455	1.803	2	108.9742	3.538	18	109.4044	3.172	46	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]Ru)(CH3)2	C(C[6]C[6,6a]C[6,6]C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]Ru)(CH3)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6a]C[6,6]C)(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]CC)(C[6a]C[6a]H){1|Ru<9>,1|Si<4>,1|C<3>,1|H<1>,2|C<4>}	110.1885	2.631	2	110.1885	6.923	2	108.9742	3.538	18	109.4044	3.172	46	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)(CH3)2	C(C[6]C[6,6a]C[6,6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)(CH3)2{2|C<3>,2|H<1>,4|C<4>}	C(C[6]C[6,6a]C[6,6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CC)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	106.1255	3.260	2	106.1255	10.631	2	108.9742	3.538	18	109.4044	3.172	46	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(CH3)2	C(C[6]C[6,6a]C[6,6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(CH3)2{2|C<3>,2|H<1>,3|C<4>}	C(C[6]C[6,6a]C[6,6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CC)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	109.8558	1.349	4	109.8558	1.819	4	108.9742	3.538	18	109.4044	3.172	46	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:Si[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(Si[6]B[5a,6]HN)(CH3)2	C(C[6]C[6,6a]Si[6]C)(H)3	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]Si[6]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(Si[6]B[5a,6]HN)(CH3)2{1|H<1>,2|C<3>,2|N<3>}	C(C[6]C[6,6a]Si[6]C)(H)3	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]Si[6]CC)(C[6a]C[6a]H){1|B<3>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	111.4065	2.628	2	111.4065	6.908	2	111.4065	6.908	2	109.4044	3.172	46	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:2:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(CHHO)	C(C[6]C[6,6a]C[6]C)(OC[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(CHHO){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]C)(OC[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|C<4>,6|H<1>}	110.9320	0.000	1	110.9320	0.000	1	110.9320	0.000	1	110.9320	0.000	1	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)(CH3)	C(C[6]C[6,6a]C[6]C)(CNO)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(CNO)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	106.2690	0.000	1	106.2690	0.000	1	106.2690	0.000	1	108.1060	6.749	2	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:N-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(CHHO)	C(C[6]C[6,6a]C[6]C)(NC[6a]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(CHHO){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]C)(NC[6a]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|C<4>,6|H<1>}	109.9430	0.000	1	109.9430	0.000	1	109.9430	0.000	1	108.1060	6.749	2	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:3:3:2:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]2O)(CH3)	C(C[6]C[6,6a]C[6]C)(C[6a]C[6a]2)2(OSi)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]2O)(CH3){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6]C[6,6a]C[6]C)(C[6a]C[6a]2)2(OSi)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC){2|C<3>,4|H<1>}	108.4660	0.000	1	108.4660	0.000	1	108.4660	0.000	1	108.4660	0.000	1	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(CH3)	C(C[6]C[6,6a]C[6]C)(CHHN)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(CH3){2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6a]C[6]C)(CHHN)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	109.0230	0.303	2	109.0230	0.092	2	109.1261	2.934	11	109.1261	2.934	11	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)2	C(C[6]C[6,6a]C[6]C)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C(C[6]C[6,6a]C[6]C)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(C[6]C[6]CC){2|C<3>,2|C<4>,3|H<1>}	109.4455	1.072	4	109.4455	1.150	4	109.1261	2.934	11	109.1261	2.934	11	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(CCHH)(CH3)	C(C[6]C[6,6a]C[6]C)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(CCHH)(CH3){2|H<1>,5|C<3>}	C(C[6]C[6,6a]C[6]C)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|Si<4>,1|C<4>,2|H<1>,3|C<3>}	108.2065	0.698	2	108.2065	0.487	2	109.1261	2.934	11	109.1261	2.934	11	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)(CH3)	C(C[6]C[6,6a]C[6]C)(CCCO)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(CCCO)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	105.5840	0.000	1	105.5840	0.000	1	109.1261	2.934	11	109.1261	2.934	11	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)2	C(C[6]C[6,6a]C[6]C)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)2{1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	112.1050	0.000	1	112.1050	0.000	1	109.1261	2.934	11	109.1261	2.934	11	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)2	C(C[6]C[6,6a]C[6]C)(CH3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)2{1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(CH3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	110.4570	0.000	1	110.4570	0.000	1	109.1261	2.934	11	109.1261	2.934	11	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:4:3:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:C-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCHN)(CH3)	C(C[6]C[6,6a]C[6]C)(CH3)(NOO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCHN)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(CH3)(NOO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|O<2>,2|C<3>,4|H<1>}	105.4155	0.419	2	105.4155	0.176	2	105.4155	0.176	2	105.4155	0.176	2	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	3:4:4:4:	4:4:4:1:	3:3:4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:C-4:C-4:H-1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(CCCH)(CH3)	C(C[6]C[6,6a]C[6]C)(CH3)2(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(CCCH)(CH3){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]C)(CH3)2(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	110.4070	0.000	1	110.4070	0.000	1	110.4070	0.000	1	110.4070	0.000	1	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	4:3:3:4:	4:1:1:1:	3:4:3:	C[5,6]-4:C[6,6a]-3:O-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[5,6]C[6,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(OAl2)(CH3)	C(C[6]C[6,6a]C[5,6]O)(H)3	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CO)(C[6a]C[6a]H)	C[6](C[5,6]C[6,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(OAl2)(CH3){1|C<4>,3|H<1>,6|C<3>}	C(C[6]C[6,6a]C[5,6]O)(H)3	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CO)(C[6a]C[6a]H){1|C<4>,1|N<4>,2|H<1>,3|C<3>}	108.1250	0.000	1	108.1250	0.000	1	108.1250	0.000	1	108.1250	0.000	1	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	4:3:4:1:	4:1:1:1:	3:4:3:	C[3x6]-4:C[6,6a]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(H)	C(C[6]C[6,6a]C[3x6]H)(H)3	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[3x6]CH)(C[6a]C[6a]O)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6,6a]C[3x6]H)(H)3	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[3x6]CH)(C[6a]C[6a]O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	111.1230	0.000	1	111.1230	0.000	1	111.1230	0.000	1	112.2922	3.235	5	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	4:3:4:1:	4:1:1:1:	3:4:3:	C[5,6,6]-4:C[6,6a]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(H)	C(C[6]C[5,6,6]C[6,6a]H)(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6,6]CH)(C[6a]C[6a]H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C(C[6]C[5,6,6]C[6,6a]H)(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6,6]CH)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	114.4230	0.000	1	114.4230	0.000	1	114.4230	0.000	1	112.2922	3.235	5	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	4:3:4:1:	4:1:1:1:	3:4:3:	C[5,6]-4:C[6,6a]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(H)	C(C[6]C[6,6a]C[5,6]H)(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]O)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(H){1|H<1>,1|N<3>,2|O<2>,4|C<3>}	C(C[6]C[6,6a]C[5,6]H)(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	111.3200	0.000	1	111.3200	0.000	1	111.3200	0.000	1	112.2922	3.235	5	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	4:3:4:1:	4:1:1:1:	3:4:3:	C[6,6]-4:C[6,6a]-3:C-4:H-1:	C[6]-4:Br-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(CBrHH)(H)	C(C[6]C[6,6a]C[6,6]H)(Br)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(CBrHH)(H){2|C<4>,4|H<1>,5|C<3>}	C(C[6]C[6,6a]C[6,6]H)(Br)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	114.0420	0.000	1	114.0420	0.000	1	114.0420	0.000	1	112.2922	3.235	5	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	4:3:4:1:	4:1:1:1:	3:4:3:	C[6,6]-4:C[6,6a]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(H)	C(C[6]C[6,6a]C[6,6]H)(H)3	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(H){1|H<1>,2|C<4>,4|C<3>}	C(C[6]C[6,6a]C[6,6]H)(H)3	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	110.5530	0.000	1	110.5530	0.000	1	110.5530	0.000	1	112.2922	3.235	5	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	4:3:4:1:	4:3:1:1:	3:4:3:	C[5,6]-4:C[6,6a]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(CCHH)(H)	C(C[6]C[6,6a]C[5,6]H)(CC[6a]O)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(CCHH)(H){1|O<1>,2|H<1>,2|N<3>,5|C<3>}	C(C[6]C[6,6a]C[5,6]H)(CC[6a]O)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	114.3110	0.000	1	114.3110	0.000	1	112.2930	8.145	2	112.2930	8.145	2	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	4:3:4:1:	4:3:1:1:	3:4:3:	C[5,6]-4:C[6,6a]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(CCHH)(H)	C(C[6]C[6,6a]C[5,6]H)(CHO)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(CCHH)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C(C[6]C[6,6a]C[5,6]H)(CHO)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	110.2750	0.000	1	110.2750	0.000	1	112.2930	8.145	2	112.2930	8.145	2	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	4:3:4:1:	4:4:4:1:	3:4:3:	B[3x6]-4:C[6,6a]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](B[3x6]C[6,6]2N[6,6])(C[6,6a]C[6,6a]C[6a])(CCCH)(H)	C(C[6]C[6,6a]B[3x6]H)(CH3)2(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]B[3x6]CH)(C[6a]C[6a]H)	C[6](B[3x6]C[6,6]2N[6,6])(C[6,6a]C[6,6a]C[6a])(CCCH)(H){3|H<1>,4|C<3>,4|C<4>}	C(C[6]C[6,6a]B[3x6]H)(CH3)2(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]B[3x6]CH)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	113.3132	1.201	6	113.3132	1.443	6	112.9586	2.083	7	112.9586	2.083	7	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	4:3:4:1:	4:4:4:1:	3:4:3:	B[3x6]-4:C[6,6a]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](B[3x6]N[6,6a]C[6,6]2)(C[6,6a]C[6,6a]C[6a])(CCCH)(H)	C(C[6]C[6,6a]B[3x6]H)(CH3)2(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]B[3x6]CH)(C[6a]C[6a]H)	C[6](B[3x6]N[6,6a]C[6,6]2)(C[6,6a]C[6,6a]C[6a])(CCCH)(H){3|H<1>,4|C<3>,4|C<4>}	C(C[6]C[6,6a]B[3x6]H)(CH3)2(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]B[3x6]CH)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	110.8310	0.000	1	110.8310	0.000	1	112.9586	2.083	7	112.9586	2.083	7	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	4:3:4:2:	4:1:1:1:	3:4:3:	C[3x6]-4:C[6,6a]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	C(C[6]C[6,6a]C[3x6]O)(H)3	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[3x6]CO)(C[6a]C[6a]H)	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	C(C[6]C[6,6a]C[3x6]O)(H)3	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[3x6]CO)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	109.2635	0.624	2	109.2635	0.390	2	109.2635	0.390	2	111.8960	3.500	12	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	4:3:4:2:	4:1:1:1:	3:4:3:	C[5,6]-4:C[6,6a]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	C(C[6]C[6,6a]C[5,6]O)(H)3	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]CO)(C[6a]C[6a]H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C(C[6]C[6,6a]C[5,6]O)(H)3	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]CO)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	110.2690	2.768	2	112.2543	3.169	7	112.2579	2.379	9	111.8960	3.500	12	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	4:3:4:2:	4:1:1:1:	3:4:3:	C[5,6]-4:C[6,6a]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	C(C[6]C[6,6a]C[5,6]O)(H)3	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]CO)(C[6a]C[6a]H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH){2|N<3>,3|C<3>,4|H<1>}	C(C[6]C[6,6a]C[5,6]O)(H)3	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]CO)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	113.0484	0.282	5	112.2543	3.169	7	112.2579	2.379	9	111.8960	3.500	12	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	4:3:4:2:	4:1:1:1:	3:4:3:	C[5,6]-4:C[6,6a]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	C(C[6]C[6,6a]C[5,6]O)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CO)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6,6a]C[6,6a]C[6a])(CH3)(OH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C(C[6]C[6,6a]C[5,6]O)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CO)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	112.2705	0.139	2	112.2705	0.019	2	112.2579	2.379	9	111.8960	3.500	12	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	4:3:4:2:	4:1:1:1:	3:4:3:	C[6,6]-4:C[6,6a]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6]C[4,5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	C(C[6]C[6,6a]C[6,6]O)(H)3	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6,6]CO)(C[6a]C[6a]H)	C[6](C[6,6]C[4,5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6,6]O)(H)3	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6,6]CO)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	113.9040	0.000	1	113.9040	0.000	1	113.9040	0.000	1	111.8960	3.500	12	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	4:3:4:2:	4:4:1:1:	3:4:3:	C[5,6]-4:C[6,6a]-3:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[5,6]C[6,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(CCHH)(OH)	C(C[6]C[6,6a]C[5,6]O)(CCHH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CO)(C[6a]C[6a]H)	C[6](C[5,6]C[6,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(CCHH)(OH){1|C<4>,3|H<1>,6|C<3>}	C(C[6]C[6,6a]C[5,6]O)(CCHH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CO)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	111.5375	0.103	2	111.5375	0.011	2	111.5375	0.011	2	111.5375	0.011	2	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	4:3:4:4:	4:1:1:1:	3:4:3:	C[5,6]-4:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[5,6]C[5,3x6]C[5]H)(C[6,6a]C[6,6a]C[6a])(CH3)2	C(C[6]C[6,6a]C[5,6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]H)	C[6](C[5,6]C[5,3x6]C[5]H)(C[6,6a]C[6,6a]C[6a])(CH3)2{2|C<4>,3|H<1>,4|C<3>}	C(C[6]C[6,6a]C[5,6]C)(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	110.3890	3.051	3	110.3890	9.311	3	110.3890	9.311	3	110.5112	8.354	5	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	4:3:4:4:	4:1:1:1:	3:4:3:	C[6,6]-4:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(CH3)2	C(C[6]C[6,6a]C[6,6]C)(H)3	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6]CC)(C[6a]C[6a]O)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(CH3)2{2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C(C[6]C[6,6a]C[6,6]C)(H)3	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6]CC)(C[6a]C[6a]O){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	110.6945	3.832	2	110.6945	14.683	2	110.6945	14.683	2	110.5112	8.354	5	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	4:3:4:4:	4:2:1:1:	3:4:3:	C[5,6]-4:C[6,6a]-3:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(CCHH)(CHHO)	C(C[6]C[6,6a]C[5,6]C)(OH)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CC)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(CCHH)(CHHO){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C(C[6]C[6,6a]C[5,6]C)(OH)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CC)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	112.1440	0.000	1	112.1440	0.000	1	112.1440	0.000	1	112.1440	0.000	1	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6,6a]	4:3:4:4:	4:3:1:1:	3:4:3:	C[5,6]-4:C[6,6a]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(CCHH)(CHHO)	C(C[6]C[6,6a]C[5,6]C)(CCH)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CC)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(CCHH)(CHHO){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C(C[6]C[6,6a]C[5,6]C)(CCH)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CC)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	110.2830	0.000	1	110.2830	0.000	1	110.2830	0.000	1	110.2830	0.000	1	110.2168	4.958	2940	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:2:2:4:	4:1:1:1:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:C-4:	C[6]-4:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(CF3)	C(C[6]C[6a]O[6]2)(F)3	C[6a](C[6a]C[6a]H)2(C[6]O[6]2C)	C[6](C[6a]C[6a]2)(O[6]C[6])2(CF3){2|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6a]O[6]2)(F)3	C[6a](C[6a]C[6a]H)2(C[6]O[6]2C){1|C<3>,2|C<4>,2|H<1>}	110.3285	1.421	2	110.3285	2.018	2	110.3285	2.018	2	109.8982	1.209	5	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:2:2:4:	4:1:1:1:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(CH3)	C(C[6]C[6a]O[6]2)(H)3	C[6a](C[6a]C[6a]H)2(C[6]O[6]2C)	C[6](C[6a]C[6a]2)(O[6]C[6])2(CH3){1|C<4>,2|C<3>,6|H<1>}	C(C[6]C[6a]O[6]2)(H)3	C[6a](C[6a]C[6a]H)2(C[6]O[6]2C){1|C<3>,2|C<4>,2|H<1>}	110.2120	0.194	2	110.2120	0.038	2	110.2120	0.038	2	109.8982	1.209	5	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:2:2:4:	4:1:1:1:	3:3:4:	C[6a]-3:S[6]-2:S[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(S[6]C[6])2(CH3)	C(C[6]C[6a]S[6]2)(H)3	C[6a](C[6a]C[6a]H)2(C[6]S[6]2C)	C[6](C[6a]C[6a]2)(S[6]C[6])2(CH3){1|C<4>,2|C<3>,6|H<1>}	C(C[6]C[6a]S[6]2)(H)3	C[6a](C[6a]C[6a]H)2(C[6]S[6]2C){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	108.4100	0.000	1	108.4100	0.000	1	108.4100	0.000	1	109.8982	1.209	5	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:2:2:4:	4:1:1:1:	3:4:2:	C[6a]-3:O[6]-2:O[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6](C[6a]C[6a]N[6a])(O[6]C[6])2(CH3)	C(C[6]C[6a]O[6]2)(H)3	C[6a](C[6a]C[6a]H)(C[6]O[6]2C)(N[6a]C[6a])	C[6](C[6a]C[6a]N[6a])(O[6]C[6])2(CH3){1|C<4>,2|C<3>,5|H<1>}	C(C[6]C[6a]O[6]2)(H)3	C[6a](C[6a]C[6a]H)(C[6]O[6]2C)(N[6a]C[6a]){1|C<3>,1|H<1>,3|C<4>}	109.7290	0.000	1	109.7290	0.000	1	109.7290	0.000	1	109.7290	0.000	1	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:2:2:4:	4:1:1:1:	4:3:3:	C[6a]-3:N[6]-2:O[6]-2:C-4:	C[6]-4:F-1:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6])(CFHH)	C(C[6]C[6a]N[6]O[6])(F)(H)2	C[6a](C[6]N[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6])(CFHH){1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6a]N[6]O[6])(F)(H)2	C[6a](C[6]N[6]O[6]C)(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	108.7670	0.000	1	108.7670	0.000	1	108.7670	0.000	1	108.7670	0.000	1	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:2:2:4:	4:2:1:1:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:C-4:	C[6]-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(CHHO)	C(C[6]C[6a]O[6]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(C[6]O[6]2C)	C[6](C[6a]C[6a]2)(O[6]C[6])2(CHHO){1|C<4>,2|C<3>,6|H<1>}	C(C[6]C[6a]O[6]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(C[6]O[6]2C){1|C<3>,2|C<4>,2|H<1>}	109.5657	2.565	6	110.0127	6.883	7	110.0882	4.662	10	110.2119	4.364	11	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:2:2:4:	4:2:1:1:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:C-4:	C[6]-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(CHHO)	C(C[6]C[6a]O[6]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(C[6]O[6]2C)	C[6](C[6a]C[6a]2)(O[6]C[6])2(CHHO){1|C<4>,2|C<3>,6|H<1>}	C(C[6]C[6a]O[6]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(C[6]O[6]2C){1|C<3>,4|C<4>}	112.6950	0.000	1	110.0127	6.883	7	110.0882	4.662	10	110.2119	4.364	11	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:2:2:4:	4:2:1:1:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:C-4:	C[6]-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(CHHO)	C(C[6]C[6a]O[6]2)(OH)(H)2	C[6a](C[6a]C[6a]H)2(C[6]O[6]2C)	C[6](C[6a]C[6a]2)(O[6]C[6])2(CHHO){1|C<4>,2|C<3>,6|H<1>}	C(C[6]C[6a]O[6]2)(OH)(H)2	C[6a](C[6a]C[6a]H)2(C[6]O[6]2C){1|C<3>,4|C<4>}	110.2643	0.512	3	110.2643	0.262	3	110.0882	4.662	10	110.2119	4.364	11	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:2:2:4:	4:2:1:1:	3:3:4:	C[6a]-3:S[6]-2:S[6]-2:C-4:	C[6]-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(S[6]C[6])2(CHHO)	C(C[6]C[6a]S[6]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(C[6]S[6]2C)	C[6](C[6a]C[6a]2)(S[6]C[6])2(CHHO){1|C<4>,2|C<3>,6|H<1>}	C(C[6]C[6a]S[6]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(C[6]S[6]2C){1|C<3>,2|C<4>,2|H<1>}	111.4490	0.000	1	111.4490	0.000	1	111.4490	0.000	1	110.2119	4.364	11	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:2:2:4:	4:4:2:1:	3:3:4:	C[6a]-3:S[6]-2:S[6]-2:C-4:	C[5]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(S[6]C[6])2(CC[5]HO)	C(C[5]C[5,5]O[5]H)(C[6]C[6a]S[6]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(C[6]S[6]2C)	C[6](C[6a]C[6a]2)(S[6]C[6])2(CC[5]HO){1|C<4>,2|C<3>,6|H<1>}	C(C[5]C[5,5]O[5]H)(C[6]C[6a]S[6]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(C[6]S[6]2C){1|C<3>,1|H<1>,3|C<4>}	111.4450	0.000	1	111.4450	0.000	1	111.4450	0.000	1	111.4450	0.000	1	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:2:2:4:	4:4:4:1:	3:3:4:	C[6a]-3:S[6]-2:S[6]-2:C-4:	C[6]-4:C[3]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(S[6]C[6])2(CC[3]CH)	C(C[6]C[6a]S[6]2)(C[3]C[3]O[3]H)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(C[6]S[6]2C)	C[6](C[6a]C[6a]2)(S[6]C[6])2(CC[3]CH){1|C<4>,2|C<3>,6|H<1>}	C(C[6]C[6a]S[6]2)(C[3]C[3]O[3]H)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(C[6]S[6]2C){1|C<3>,2|C<4>,2|H<1>}	107.9610	0.000	1	107.9610	0.000	1	107.9610	0.000	1	107.9610	0.000	1	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:2:3:4:	4:1:1:1:	4:3:2:	C[6a]-3:N[6]-2:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a])(C[6]C[6]H)(CH3)	C(C[6]C[6a]C[6]N[6])(H)3	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)(N[6a]C[6a])	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a])(C[6]C[6]H)(CH3){1|H<1>,5|C<3>}	C(C[6]C[6a]C[6]N[6])(H)3	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,2|H<1>,3|C<3>}	108.6710	0.000	1	108.6710	0.000	1	108.6710	0.000	1	108.6710	0.000	1	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:2:3:4:	4:1:1:1:	4:3:3:	C[6a]-3:O[6]-2:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(C[6]C[6]H)(CH3)	C(C[6]C[6a]C[6]O[6])(H)3	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6])(C[6]C[6]H)(CH3){3|H<1>,4|C<3>}	C(C[6]C[6a]C[6]O[6])(H)3	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	114.2600	0.000	1	114.2600	0.000	1	112.9755	3.300	2	112.9755	3.300	2	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:2:3:4:	4:1:1:1:	4:3:3:	C[6a]-3:O[6]-2:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(CH3)	C(C[6]C[6a]C[6]O[6])(H)3	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(CH3){2|H<1>,5|C<3>}	C(C[6]C[6a]C[6]O[6])(H)3	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	111.6910	0.000	1	111.6910	0.000	1	112.9755	3.300	2	112.9755	3.300	2	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:2:3:4:	4:3:1:1:	3:4:3:	C[6a]-3:O[6]-2:C[6]-3:C-4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]O)(CC[6a]HH)	C(C[6]C[6a]C[6]O[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]O[6]C)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]O)(CC[6a]HH){2|H<1>,5|C<3>}	C(C[6]C[6a]C[6]O[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]O[6]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	111.5640	0.000	1	111.5640	0.000	1	111.5640	0.000	1	111.5640	0.000	1	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:2:4:4:	4:1:1:1:	3:4:3:	C[6a]-3:O[6]-2:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6a]-3:C[6]-4:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	C(C[6]C[6a]C[6]O[6])(H)3	C[6a](C[6a]C[6a,6a]O)(C[6]C[6]O[6]C)(C[6a]O[6a]O)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,2|O<2>,3|C<3>}	C(C[6]C[6a]C[6]O[6])(H)3	C[6a](C[6a]C[6a,6a]O)(C[6]C[6]O[6]C)(C[6a]O[6a]O){1|C<4>,2|H<1>,3|C<3>}	109.4090	0.000	1	109.4090	0.000	1	109.4090	0.000	1	109.4090	0.000	1	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:2:4:4:	4:1:1:1:	4:3:3:	C[6a]-3:O[6]-2:C[6]-4:C-4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HN)(CF3)	C(C[6]C[6a]C[6]O[6])(F)3	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HN)(CF3){1|C<4>,3|H<1>,4|C<3>}	C(C[6]C[6a]C[6]O[6])(F)3	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	106.9030	0.000	1	106.9030	0.000	1	106.9030	0.000	1	108.8163	2.749	3	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:2:4:4:	4:1:1:1:	4:3:3:	C[6a]-3:O[6]-2:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	C(C[6]C[6a]C[6]O[6])(H)3	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C(C[6]C[6a]C[6]O[6])(H)3	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,4|H<1>}	109.7190	0.000	1	109.7190	0.000	1	109.7730	0.006	2	108.8163	2.749	3	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:2:4:4:	4:1:1:1:	4:3:3:	C[6a]-3:O[6]-2:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	C(C[6]C[6a]C[6]O[6])(H)3	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|O<1>,2|H<1>,4|C<3>}	C(C[6]C[6a]C[6]O[6])(H)3	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	109.8270	0.000	1	109.8270	0.000	1	109.7730	0.006	2	108.8163	2.749	3	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:2:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	C[6]-4:Cl-1:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CClHH)	C(C[6]C[6,6a]C[6a]O[6])(Cl)(H)2	C[6a](C[6]C[6,6a]O[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CClHH){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6a]O[6])(Cl)(H)2	C[6a](C[6]C[6,6a]O[6]C)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	114.4510	0.000	1	112.3127	13.469	3	112.3127	13.469	3	111.0451	5.579	15	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:2:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	C[6]-4:Cl-1:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CClHH)	C(C[6]C[6,6a]C[6a]O[6])(Cl)(H)2	C[6a](C[6]C[6,6a]O[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CClHH){1|N<2>,3|H<1>,5|C<3>}	C(C[6]C[6,6a]C[6a]O[6])(Cl)(H)2	C[6a](C[6]C[6,6a]O[6]C)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	114.4120	0.000	1	112.3127	13.469	3	112.3127	13.469	3	111.0451	5.579	15	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:2:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	C[6]-4:Cl-1:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CClHH)	C(C[6]C[6,6a]C[6a]O[6])(Cl)(H)2	C[6a](C[6]C[6,6a]O[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CClHH){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6a]O[6])(Cl)(H)2	C[6a](C[6]C[6,6a]O[6]C)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	108.0750	0.000	1	112.3127	13.469	3	112.3127	13.469	3	111.0451	5.579	15	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:2:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CF3)	C(C[6]C[6,6a]C[6a]O[6])(F)3	C[6a](C[6]C[6,6a]O[6]C)(C[6a]C[6,6a]C[3])(C[6a]O[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CF3){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>,3|C<3>}	C(C[6]C[6,6a]C[6a]O[6])(F)3	C[6a](C[6]C[6,6a]O[6]C)(C[6a]C[6,6a]C[3])(C[6a]O[6a]O){1|H<1>,2|C<4>,5|C<3>}	116.5820	0.000	1	116.5820	0.000	1	116.5820	0.000	1	111.0451	5.579	15	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:2:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(CH3)	C(C[6]C[6,6a]C[6a]O[6])(H)3	C[6a](C[6]C[6,6a]O[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(CH3){3|H<1>,6|C<3>}	C(C[6]C[6,6a]C[6a]O[6])(H)3	C[6a](C[6]C[6,6a]O[6]C)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	109.9190	0.591	3	109.9190	0.349	3	109.7734	0.283	5	111.0451	5.579	15	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:2:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CH3)	C(C[6]C[6,6a]C[6a]O[6])(H)3	C[6a](C[6]C[6,6a]O[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CH3){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6a]O[6])(H)3	C[6a](C[6]C[6,6a]O[6]C)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	109.5550	0.522	2	109.5550	0.272	2	109.7734	0.283	5	111.0451	5.579	15	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:2:4:	4:1:1:1:	4:3:3:	C[6a]-3:C[6]-3:O[6]-2:C-4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]N[6]O)(O[6]C[6])(CF3)	C(C[6]C[6a]C[6]O[6])(F)3	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]N[6]O)(O[6]C[6])(CF3){1|C<4>,3|C<3>,4|H<1>}	C(C[6]C[6a]C[6]O[6])(F)3	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	109.5000	0.088	2	109.8900	0.460	3	109.8900	0.460	3	111.0451	5.579	15	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:2:4:	4:1:1:1:	4:3:3:	C[6a]-3:C[6]-3:O[6]-2:C-4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]N[6]O)(O[6]C[6])(CF3)	C(C[6]C[6a]C[6]O[6])(F)3	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]N[6]O)(O[6]C[6])(CF3){4|C<3>,4|H<1>}	C(C[6]C[6a]C[6]O[6])(F)3	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	110.6700	0.000	1	109.8900	0.460	3	109.8900	0.460	3	111.0451	5.579	15	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:2:4:	4:1:1:1:	4:3:3:	C[6a]-3:C[6]-3:S[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6])(CH3)	C(C[6]C[6a]C[6]S[6])(H)3	C[6a](C[6]C[6]S[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6])(CH3){2|H<1>,5|C<3>}	C(C[6]C[6a]C[6]S[6])(H)3	C[6a](C[6]C[6]S[6]C)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	112.1600	0.000	1	112.1600	0.000	1	112.1600	0.000	1	111.0451	5.579	15	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:2:4:	4:1:1:1:	4:3:3:	C[6a]-3:N[6]-3:O[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(N[6]C[6]C)(O[6]C[6])(CH3)	C(C[6]C[6a]N[6]O[6])(H)3	C[6a](C[6]N[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(N[6]C[6]C)(O[6]C[6])(CH3){1|O<1>,2|H<1>,4|C<3>}	C(C[6]C[6a]N[6]O[6])(H)3	C[6a](C[6]N[6]O[6]C)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	110.9610	0.000	1	110.9610	0.000	1	110.9610	0.000	1	111.0451	5.579	15	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:2:4:	4:1:1:1:	4:3:3:	N[6]-3:C[6a]-3:O[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])(CH3)	C(C[6]C[6a]N[6]O[6])(H)3	C[6a](C[6]N[6]O[6]C)(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])(CH3){3|H<1>,5|C<3>}	C(C[6]C[6a]N[6]O[6])(H)3	C[6a](C[6]N[6]O[6]C)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	110.4980	0.000	1	110.4980	0.000	1	110.4980	0.000	1	111.0451	5.579	15	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:2:4:	4:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	C[6]-4:C-4:F-1:F-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CCFF)	C(C[6]C[6,6a]C[6a]O[6])(CCHH)(F)2	C[6a](C[6]C[6,6a]O[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CCFF){1|C<4>,1|N<2>,1|N<3>,3|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6a]O[6])(CCHH)(F)2	C[6a](C[6]C[6,6a]O[6]C)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	108.8730	0.000	1	108.8730	0.000	1	108.8730	0.000	1	108.8730	0.000	1	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:2:4:	4:4:4:2:	4:3:3:	C[6]-3:C[6a]-3:N[6]-2:C-4:	C[6]-4:C-4:C-4:C-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6])(CC3)	C(C[6]C[6a]C[6]N[6])(CH3)2(CN)	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6])(CC3){1|Cl<1>,1|N<3>,2|H<1>,4|C<3>}	C(C[6]C[6a]C[6]N[6])(CH3)2(CN)	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	116.0560	0.000	1	116.0560	0.000	1	116.0560	0.000	1	116.0560	0.000	1	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O)(CH3)	C(C[6]C[6a]C[6]2)(H)3	C[6a](C[6a]C[6a]O)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O)(CH3){2|O<2>,5|C<3>}	C(C[6]C[6a]C[6]2)(H)3	C[6a](C[6a]C[6a]O)2(C[6]C[6]2C){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	116.5740	0.000	1	116.5740	0.000	1	110.6808	9.537	11	110.2629	7.592	16	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(CH3)	C(C[6]C[6a]C[6]2)(H)3	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(CH3){1|S<2>,2|H<1>,4|C<3>}	C(C[6]C[6a]C[6]2)(H)3	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){2|C<4>,2|H<1>,3|C<3>}	105.0700	0.000	1	105.0700	0.000	1	110.6808	9.537	11	110.2629	7.592	16	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)(CH3)	C(C[6]C[6a]C[6]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)(CH3){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C(C[6]C[6a]C[6]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2C){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	112.5290	0.000	1	112.5290	0.000	1	110.6808	9.537	11	110.2629	7.592	16	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(CH3)	C(C[6]C[6a]C[6]2)(H)3	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(CH3){1|S<2>,2|H<1>,4|C<3>}	C(C[6]C[6a]C[6]2)(H)3	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){3|C<3>,4|H<1>}	110.9300	0.705	3	111.6366	1.226	5	110.6808	9.537	11	110.2629	7.592	16	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(CH3)	C(C[6]C[6a]C[6]2)(H)3	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(CH3){1|S<3>,2|H<1>,4|C<3>}	C(C[6]C[6a]C[6]2)(H)3	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){3|C<3>,4|H<1>}	112.6965	0.404	2	111.6366	1.226	5	110.6808	9.537	11	110.2629	7.592	16	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]S)2(CH3)	C(C[6]C[6a]C[6]2)(H)3	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]N[6]S)2(CH3){2|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6a]C[6]2)(H)3	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<3>,2|H<1>,2|N<3>,2|S<1>}	108.2315	0.480	2	108.2315	0.231	2	110.6808	9.537	11	110.2629	7.592	16	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(C[6]O[6]O)(C[6]S[6]S)(CH3)	C(C[6]C[6a]C[6]2)(H)3	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]O[6]O)(C[6]S[6]S)(CH3){2|H<1>,3|C<3>}	C(C[6]C[6a]C[6]2)(H)3	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<3>,1|O<1>,1|O<2>,1|S<1>,1|S<2>,2|H<1>}	108.6700	0.000	1	108.6700	0.000	1	110.6808	9.537	11	110.2629	7.592	16	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[6a]-3:N[6]-3:N[6]-3:C-4:	C[6]-4:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6]H)2(CF3)	C(C[6]C[6a]N[6]2)(F)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(C[6]N[6]2C)	C[6](C[6a]C[6a]2)(N[6]C[6]H)2(CF3){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C(C[6]C[6a]N[6]2)(F)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(C[6]N[6]2C){2|C<4>,2|H<1>,3|C<3>}	107.7350	0.076	2	107.7350	0.006	2	107.7350	0.006	2	110.2629	7.592	16	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:3:4:	4:1:1:1:	3:3:4:	N[6]-3:C[6a]-3:N[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(CH3)	C(C[6]C[6a]N[6]2)(H)3	C[6a](C[6a]C[6a]H)2(C[6]N[6]2C)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(CH3){1|O<1>,2|H<1>,4|C<3>}	C(C[6]C[6a]N[6]2)(H)3	C[6a](C[6a]C[6a]H)2(C[6]N[6]2C){3|C<3>,4|H<1>}	110.4157	1.367	3	110.4157	1.869	3	110.4157	1.869	3	110.2629	7.592	16	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:3:4:	4:1:1:1:	3:4:2:	C[6a]-3:N[6]-3:N[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6](C[6a]C[6a]N[6a])(N[6]C[6]H)2(CH3)	C(C[6]C[6a]N[6]2)(H)3	C[6a](C[6a]C[6a]H)(C[6]N[6]2C)(N[6a]C[6a])	C[6](C[6a]C[6a]N[6a])(N[6]C[6]H)2(CH3){1|C<4>,2|C<3>,5|H<1>}	C(C[6]C[6a]N[6]2)(H)3	C[6a](C[6a]C[6a]H)(C[6]N[6]2C)(N[6a]C[6a]){1|C<3>,2|C<4>,4|H<1>}	107.3120	0.000	1	107.3954	0.274	5	107.3954	0.274	5	107.3954	0.274	5	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:3:4:	4:1:1:1:	3:4:2:	C[6a]-3:N[6]-3:N[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6](C[6a]C[6a]N[6a])(N[6]C[6]H)2(CH3)	C(C[6]C[6a]N[6]2)(H)3	C[6a](C[6a]C[6a]H)(C[6]N[6]2C)(N[6a]C[6a])	C[6](C[6a]C[6a]N[6a])(N[6]C[6]H)2(CH3){1|C<4>,2|C<3>,5|H<1>}	C(C[6]C[6a]N[6]2)(H)3	C[6a](C[6a]C[6a]H)(C[6]N[6]2C)(N[6a]C[6a]){1|C<3>,3|C<4>,3|H<1>}	107.4163	0.603	4	107.3954	0.274	5	107.3954	0.274	5	107.3954	0.274	5	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[6a]-3:C[6]-3:N[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6a]-3:C[6]-4:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)(CH3)	C(C[6]C[6a]C[6]N[6])(H)3	C[6a](C[6a]C[5a,6a]H)(C[6]C[6]N[6]C)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)(CH3){3|C<3>,4|H<1>}	C(C[6]C[6a]C[6]N[6])(H)3	C[6a](C[6a]C[5a,6a]H)(C[6]C[6]N[6]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	112.6265	0.680	2	112.6265	0.462	2	112.6265	0.462	2	112.6265	0.462	2	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:3:4:	4:1:1:1:	4:3:2:	C[5a,6]-3:C[6a]-3:N[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]N[6a])(N[6]C[6]O)(CH3)	C(C[6]C[5a,6]C[6a]N[6])(H)3	C[6a](C[6]C[5a,6]N[6]C)(C[6a]C[6a]H)(N[6a]C[6a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]N[6a])(N[6]C[6]O)(CH3){1|C<4>,4|C<3>,4|H<1>}	C(C[6]C[5a,6]C[6a]N[6])(H)3	C[6a](C[6]C[5a,6]N[6]C)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	110.9280	0.000	1	110.9280	0.000	1	110.9280	0.000	1	110.9547	2.074	3	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:3:4:	4:1:1:1:	4:3:2:	N[5,6]-3:C[6a]-3:N[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(CH3)	C(C[6]N[5,6]C[6a]N[6])(H)3	C[6a](C[6]N[5,6]N[6]C)(C[6a]C[6a]H)(N[6a]C[6a])	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(CH3){1|H<1>,1|N<3>,6|C<3>}	C(C[6]N[5,6]C[6a]N[6])(H)3	C[6a](C[6]N[5,6]N[6]C)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	112.4080	0.000	1	112.4080	0.000	1	112.4080	0.000	1	110.9547	2.074	3	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:3:4:	4:1:1:1:	4:3:2:	N[5a,6]-3:C[6a]-3:N[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(CH3)	C(C[6]N[5a,6]C[6a]N[6])(H)3	C[6a](C[6]N[5a,6]N[6]C)(C[6a]C[6a]H)(N[6a]C[6a])	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(CH3){1|H<1>,1|N<2>,6|C<3>}	C(C[6]N[5a,6]C[6a]N[6])(H)3	C[6a](C[6]N[5a,6]N[6]C)(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	109.5280	0.000	1	109.5280	0.000	1	109.5280	0.000	1	110.9547	2.074	3	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(CH3)	C(C[6]C[5a,6]C[6,6a]C[6a])(H)3	C[6a](C[6]C[5a,6]C[6,6a]C)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(CH3){1|C<4>,3|H<1>,7|C<3>}	C(C[6]C[5a,6]C[6,6a]C[6a])(H)3	C[6a](C[6]C[5a,6]C[6,6a]C)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	114.1400	0.000	1	114.1400	0.000	1	114.1400	0.000	1	110.9897	5.138	26	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5a,6]-3:C[6a]-3:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(CH3)	C(C[6]C[5a,6]C[6a]C[6])(H)3	C[6a](C[6]C[5a,6]C[6]C)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(CH3){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C(C[6]C[5a,6]C[6a]C[6])(H)3	C[6a](C[6]C[5a,6]C[6]C)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	112.1230	0.000	1	112.1230	0.000	1	112.1230	0.000	1	110.9897	5.138	26	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5a,6]-3:C[6a]-3:N[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]O)(CH3)	C(C[6]C[5a,6]C[6a]N[6])(H)3	C[6a](C[6]C[5a,6]N[6]C)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]O)(CH3){1|C<2>,1|C<4>,4|C<3>,4|H<1>}	C(C[6]C[5a,6]C[6a]N[6])(H)3	C[6a](C[6]C[5a,6]N[6]C)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	109.3310	0.000	1	108.7270	0.266	4	108.7270	0.266	4	110.9897	5.138	26	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5a,6]-3:C[6a]-3:N[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]O)(CH3)	C(C[6]C[5a,6]C[6a]N[6])(H)3	C[6a](C[6]C[5a,6]N[6]C)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]O)(CH3){1|C<4>,4|C<3>,5|H<1>}	C(C[6]C[5a,6]C[6a]N[6])(H)3	C[6a](C[6]C[5a,6]N[6]C)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	108.6150	0.515	2	108.7270	0.266	4	108.7270	0.266	4	110.9897	5.138	26	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5a,6]-3:C[6a]-3:N[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]O)(CH3)	C(C[6]C[5a,6]C[6a]N[6])(H)3	C[6a](C[6]C[5a,6]N[6]C)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]O)(CH3){2|C<4>,4|C<3>,4|H<1>}	C(C[6]C[5a,6]C[6a]N[6])(H)3	C[6a](C[6]C[5a,6]N[6]C)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	108.3470	0.000	1	108.7270	0.266	4	108.7270	0.266	4	110.9897	5.138	26	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5a,6]-3:N[6]-3:C[6a]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(CH3)	C(C[6]C[5a,6]C[6a]N[6])(H)3	C[6a](C[6]C[5a,6]N[6]C)(C[6a]C[6a]H)2	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(CH3){3|H<1>,6|C<3>}	C(C[6]C[5a,6]C[6a]N[6])(H)3	C[6a](C[6]C[5a,6]N[6]C)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	109.4470	0.000	1	109.4470	0.000	1	109.4470	0.000	1	110.9897	5.138	26	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(CH3)	C(C[6]C[6,6a]2C[6a])(H)3	C[6a](C[6]C[6,6a]2C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(CH3){1|N<3>,4|H<1>,6|C<3>}	C(C[6]C[6,6a]2C[6a])(H)3	C[6a](C[6]C[6,6a]2C)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	110.1836	3.218	5	110.1836	10.356	5	110.1836	10.356	5	110.9897	5.138	26	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(C[6a]C[6a]2)(CH3)	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(C[6a]C[6a]2)(CH3){2|C<4>,3|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	109.2420	0.000	1	109.2420	0.000	1	109.2420	0.000	1	110.9897	5.138	26	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(CH3){1|O<2>,3|H<1>,5|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	112.4270	0.000	1	112.4270	0.000	1	112.3002	3.640	5	110.9897	5.138	26	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]N)(CH3)	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]N)(CH3){4|H<1>,5|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	109.0240	0.000	1	109.0240	0.000	1	112.3002	3.640	5	110.9897	5.138	26	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]O)(CH3)	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]O)(CH3){1|O<2>,3|H<1>,5|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	113.3970	0.000	1	113.3970	0.000	1	112.3002	3.640	5	110.9897	5.138	26	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)(CH3){1|H<1>,2|O<2>,6|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)(C[6a]C[6a]O){3|H<1>,4|C<3>}	112.8260	0.000	1	112.8260	0.000	1	112.3002	3.640	5	110.9897	5.138	26	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)(CH3){1|O<2>,2|H<1>,6|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	113.8270	0.000	1	113.8270	0.000	1	112.3002	3.640	5	110.9897	5.138	26	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:C-4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(CF3)	C(C[6]C[6,6a]C[6a]N[6])(F)3	C[6a](C[6]C[6,6a]N[6]C)(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(CF3){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6a]N[6])(F)3	C[6a](C[6]C[6,6a]N[6]C)(C[6a]C[6a,6a]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	113.3460	0.000	1	113.3460	0.000	1	113.3460	0.000	1	110.9897	5.138	26	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[6a]-3:C[6]-3:N[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)(CH3)	C(C[6]C[6a]C[6]N[6])(H)3	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)(CH3){3|C<3>,4|H<1>}	C(C[6]C[6a]C[6]N[6])(H)3	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2{1|H<1>,3|C<3>,3|C<4>}	112.8010	0.000	1	112.8010	0.000	1	112.8010	0.000	1	110.9897	5.138	26	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:3:4:	4:1:1:1:	4:3:3:	N[5a,6]-3:N[6]-3:C[6a]-3:C-4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(CF3)	C(C[6]N[5a,6]C[6a]N[6])(F)3	C[6a](C[6]N[5a,6]N[6]C)(C[6a]C[6a]H)2	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(CF3){2|H<1>,7|C<3>}	C(C[6]N[5a,6]C[6a]N[6])(F)3	C[6a](C[6]N[5a,6]N[6]C)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	113.0200	0.560	2	113.0200	0.314	2	113.0200	0.314	2	110.9897	5.138	26	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:3:4:	4:1:1:1:	4:3:3:	N[6]-3:C[6a]-3:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]H)(CH3)	C(C[6]C[6a]C[6]N[6])(H)3	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]H)(CH3){2|H<1>,5|C<3>}	C(C[6]C[6a]C[6]N[6])(H)3	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	110.3165	1.080	4	110.3165	1.167	4	110.3165	1.167	4	110.9897	5.138	26	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:3:4:	4:4:1:1:	3:3:4:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]O)(C[6]N[6]S)(CCHH)	C(C[6]C[6a]C[6]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]N[6]O)(C[6]N[6]S)(CCHH){1|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6a]C[6]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<3>,1|O<1>,1|S<1>,2|H<1>,2|N<3>}	112.1685	3.693	2	112.1685	13.640	2	112.2806	3.678	16	112.3949	3.670	17	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:3:4:	4:4:1:1:	3:3:4:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]O)2(CCHH)	C(C[6]C[6a]C[6]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]N[6]O)2(CCHH){1|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6a]C[6]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	110.2780	1.257	2	112.5852	3.129	12	112.2806	3.678	16	112.3949	3.670	17	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:3:4:	4:4:1:1:	3:3:4:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]O)2(CCHH)	C(C[6]C[6a]C[6]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]N[6]O)2(CCHH){3|C<3>,4|H<1>}	C(C[6]C[6a]C[6]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	113.0466	1.493	10	112.5852	3.129	12	112.2806	3.678	16	112.3949	3.670	17	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:3:4:	4:4:1:1:	3:3:4:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]S)2(CCHH)	C(C[6]C[6a]C[6]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]N[6]S)2(CCHH){1|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6a]C[6]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<3>,2|H<1>,2|N<3>,2|S<1>}	110.7700	0.000	1	110.7700	0.000	1	112.2806	3.678	16	112.3949	3.670	17	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:3:4:	4:4:1:1:	3:3:4:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(C[6]O[6]O)(C[6]S[6]N)(CCHH)	C(C[6]C[6a]C[6]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]O[6]O)(C[6]S[6]N)(CCHH){2|H<1>,3|C<3>}	C(C[6]C[6a]C[6]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<3>,1|N<2>,1|O<1>,1|O<2>,1|S<2>,2|H<1>}	110.3610	0.000	1	110.3610	0.000	1	112.2806	3.678	16	112.3949	3.670	17	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:3:4:	4:4:1:1:	3:3:4:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(CC[5]HH)	C(C[6]C[6a]C[6]2)(C[5]C[5]2H)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(CC[5]HH){1|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6a]C[6]2)(C[5]C[5]2H)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2C){1|O<2>,3|C<3>,3|H<1>}	114.2230	0.000	1	114.2230	0.000	1	114.2230	0.000	1	112.3949	3.670	17	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:3:4:	4:4:1:1:	3:4:2:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-4:C-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2(CCHH)	C(C[6]C[6a]C[6]2)(CCCH)(H)2	C[6a](C[6a]C[6a]H)(C[6]C[6]2C)(N[6a]C[6a])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2(CCHH){1|H<1>,1|N<3>,4|C<3>}	C(C[6]C[6a]C[6]2)(CCCH)(H)2	C[6a](C[6a]C[6a]H)(C[6]C[6]2C)(N[6a]C[6a]){3|C<3>,4|H<1>}	107.6340	0.000	1	107.6340	0.000	1	107.6340	0.000	1	107.6340	0.000	1	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:3:4:	4:4:1:1:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a,6a]C[5a,6a])(C[6,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]2)(CCHH)	C(C[6]C[6,6a]2C[6a])(CCHH)(H)2	C[6a](C[6]C[6,6a]2C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a,6a]C[5a,6a])(C[6,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]2)(CCHH){1|C<4>,2|H<1>,8|C<3>}	C(C[6]C[6,6a]2C[6a])(CCHH)(H)2	C[6a](C[6]C[6,6a]2C)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	105.8020	0.000	1	105.8020	0.000	1	105.8020	0.000	1	108.5815	5.914	6	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:3:4:	4:4:1:1:	4:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a,6a]C[6,6a])(C[6]C[6,6a]O)(C[6a]C[6a]2)(CCHH)	C(C[6]C[6,6a]C[6a]C[6])(CCHH)(H)2	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a,6a]C[6,6a])(C[6]C[6,6a]O)(C[6a]C[6a]2)(CCHH){1|C<4>,2|H<1>,6|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(CCHH)(H)2	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{1|O<1>,2|H<1>,4|C<3>}	106.0920	0.000	1	106.0920	0.000	1	106.0920	0.000	1	108.5815	5.914	6	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:3:4:	4:4:1:1:	4:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:C-4:	C[6]-4:P-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]2)(CHHP)	C(C[6]C[6,6a]C[6a]C[6])(PC[6a]2O)(H)2	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]2)(CHHP){3|H<1>,6|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(PC[6a]2O)(H)2	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{1|O<1>,2|H<1>,4|C<3>}	111.8150	0.000	1	111.8150	0.000	1	111.8150	0.000	1	108.5815	5.914	6	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:3:4:	4:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6a]C[6a]2)(C[6]N[6]O)(CCHH)	C(C[6]C[6,6a]C[6a]C[6])(CC3)(H)2	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6a]C[6a]2)(C[6]N[6]O)(CCHH){1|C<4>,2|H<1>,5|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(CC3)(H)2	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	108.9610	0.000	1	108.9610	0.000	1	108.9610	0.000	1	108.5815	5.914	6	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:3:4:	4:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6]H)(CCHH)	C(C[6]C[6,6a]C[6a]N[6])(CC[6a]2H)(H)2	C[6a](C[6]C[6,6a]N[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6]H)(CCHH){1|O<2>,2|O<1>,3|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6a]N[6])(CC[6a]2H)(H)2	C[6a](C[6]C[6,6a]N[6]C)(C[6a]C[6a]H)2{1|S<4>,3|C<3>,3|H<1>}	108.0540	0.000	1	108.0540	0.000	1	108.0540	0.000	1	108.5815	5.914	6	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:3:4:	4:4:1:1:	4:3:3:	C[6]-3:N[6]-3:C[6a]-3:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(CCHH)	C(C[6]C[6a]C[6]N[6])(CCHH)(H)2	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(CCHH){2|H<1>,6|C<3>}	C(C[6]C[6a]C[6]N[6])(CCHH)(H)2	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	110.7650	0.000	1	110.7650	0.000	1	110.7650	0.000	1	108.5815	5.914	6	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6]C[5a,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C(C[6]C[6a]C[6]2)(H)3	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6]C[5a,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|N<3>,3|C<3>,4|H<1>}	C(C[6]C[6a]C[6]2)(H)3	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	108.9860	0.000	1	108.9860	0.000	1	109.8525	1.502	2	109.8525	1.502	2	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C(C[6]C[6a]C[6]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(C[6]C[6]2C)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|I<1>,3|H<1>,4|C<3>}	C(C[6]C[6a]C[6]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(C[6]C[6]2C){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	110.7190	0.000	1	110.7190	0.000	1	109.8525	1.502	2	109.8525	1.502	2	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a,6a]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a,6a]H)(C[6a]C[6a]O){3|H<1>,5|C<3>}	110.3250	0.000	1	110.3250	0.000	1	109.6433	2.428	43	109.7187	2.689	48	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|C<2>,1|C<4>,4|C<3>,4|H<1>}	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	110.6200	0.700	2	110.6200	0.490	2	109.6433	2.428	43	109.7187	2.689	48	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|N<3>,1|O<2>,3|H<1>,5|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,3|C<3>,4|H<1>}	111.7375	0.344	2	111.7375	0.119	2	109.6433	2.428	43	109.7187	2.689	48	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|C<4>,3|H<1>,6|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	108.3040	0.000	1	109.2807	1.962	32	109.6433	2.428	43	109.7187	2.689	48	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|C<4>,4|C<3>,5|H<1>}	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	111.9955	0.131	2	109.2807	1.962	32	109.6433	2.428	43	109.7187	2.689	48	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	108.9490	1.211	20	109.2807	1.962	32	109.6433	2.428	43	109.7187	2.689	48	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|S<2>,2|C<4>,3|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	109.6295	1.310	6	109.2807	1.962	32	109.6433	2.428	43	109.7187	2.689	48	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|S<3>,2|C<4>,3|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	111.2650	0.000	1	109.2807	1.962	32	109.6433	2.428	43	109.7187	2.689	48	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|S<4>,4|H<1>,5|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	108.3630	0.000	1	109.2807	1.962	32	109.6433	2.428	43	109.7187	2.689	48	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){3|H<1>,6|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	108.3000	0.000	1	109.2807	1.962	32	109.6433	2.428	43	109.7187	2.689	48	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(CH3)	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(CH3){1|O<2>,3|H<1>,5|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	108.7130	0.000	1	108.7130	0.000	1	109.6433	2.428	43	109.7187	2.689	48	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(CH3)	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(CH3){1|C<4>,3|H<1>,5|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	110.5070	0.000	1	110.5070	0.000	1	109.6433	2.428	43	109.7187	2.689	48	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HO)(CH3)	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HO)(CH3){1|O<2>,3|H<1>,5|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,3|C<3>,3|H<1>}	108.9485	0.600	2	108.9485	0.360	2	109.6433	2.428	43	109.7187	2.689	48	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]HH)(CH3)	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]HH)(CH3){3|H<1>,5|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,4|H<1>}	112.7610	1.673	2	112.7610	2.799	2	109.6433	2.428	43	109.7187	2.689	48	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:4:4:	4:1:1:1:	4:3:3:	N[5,6]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C(C[6]N[5,6]C[6a]C[6])(H)3	C[6a](C[6]N[5,6]C[6]C)(C[6a]C[6a]H)2	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,6|H<1>}	C(C[6]N[5,6]C[6a]C[6])(H)3	C[6a](C[6]N[5,6]C[6]C)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	106.9910	0.000	1	108.9465	7.648	2	108.9465	7.648	2	109.7187	2.689	48	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:4:4:	4:1:1:1:	4:3:3:	N[5,6]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C(C[6]N[5,6]C[6a]C[6])(H)3	C[6a](C[6]N[5,6]C[6]C)(C[6a]C[6a]H)2	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,5|H<1>}	C(C[6]N[5,6]C[6a]C[6])(H)3	C[6a](C[6]N[5,6]C[6]C)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	110.9020	0.000	1	108.9465	7.648	2	108.9465	7.648	2	109.7187	2.689	48	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:4:4:	4:1:1:1:	4:3:3:	N[6]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CC)(CH3)	C(C[6]C[6a]C[6]N[6])(H)3	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CC)(CH3){4|C<3>,4|H<1>}	C(C[6]C[6a]C[6]N[6])(H)3	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	110.7720	0.000	1	110.7720	0.000	1	111.3143	3.855	3	109.7187	2.689	48	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:4:4:	4:1:1:1:	4:3:3:	N[6]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C(C[6]C[6a]C[6]N[6])(H)3	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){3|H<1>,6|C<3>}	C(C[6]C[6a]C[6]N[6])(H)3	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	113.4920	0.000	1	113.4920	0.000	1	111.3143	3.855	3	109.7187	2.689	48	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:4:4:	4:1:1:1:	4:3:3:	N[6]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[6]N[5a,6]H)(C[6a]C[6a]2)(C[6]S[6]CH)(CH3)	C(C[6]C[6a]C[6]N[6])(H)3	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2	C[6](N[6]N[5a,6]H)(C[6a]C[6a]2)(C[6]S[6]CH)(CH3){1|N<2>,2|H<1>,3|C<3>}	C(C[6]C[6a]C[6]N[6])(H)3	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2{1|N<3>,1|S<2>,2|C<3>,4|H<1>}	109.6790	0.000	1	109.6790	0.000	1	111.3143	3.855	3	109.7187	2.689	48	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:4:4:	4:3:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HS)(CCHH)	C(C[6]C[6,6a]C[6a]C[6])(CCH)(H)2	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HS)(CCHH){1|C<4>,3|H<1>,5|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(CCH)(H)2	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{1|N<3>,1|S<2>,3|C<3>,3|H<1>}	110.4990	0.000	1	110.4990	0.000	1	110.4990	0.000	1	109.6072	6.689	4	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:4:4:	4:3:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:N-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CHHN)	C(C[6]C[6,6a]C[6a]C[6])(NHS)(H)2	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CHHN){1|C<4>,4|C<3>,5|H<1>}	C(C[6]C[6,6a]C[6a]C[6])(NHS)(H)2	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	107.5325	0.223	2	107.5325	0.050	2	107.5325	0.050	2	109.6072	6.689	4	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:4:4:	4:3:1:1:	4:3:3:	N[6]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(CCHH)	C(C[6]C[6a]C[6]N[6])(COO)(H)2	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(CCHH){4|C<3>,4|H<1>}	C(C[6]C[6a]C[6]N[6])(COO)(H)2	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	112.8650	0.000	1	112.8650	0.000	1	112.8650	0.000	1	109.6072	6.689	4	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CCHH)	C(C[6]C[6,6a]C[6a]C[6])(CH3)(H)2	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CCHH){1|N<3>,1|O<2>,3|H<1>,5|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(CH3)(H)2	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,3|C<3>,4|H<1>}	112.8260	0.000	1	112.8260	0.000	1	112.8260	0.000	1	112.8260	0.000	1	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:4:2:4:	4:1:1:1:	4:3:3:	C[6a]-3:C[6]-4:N[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(CH3)	C(C[6]C[6a]C[6]N[6])(H)3	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(CH3){1|C<4>,1|F<1>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C(C[6]C[6a]C[6]N[6])(H)3	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	108.4135	0.193	2	108.4135	0.037	2	108.4135	0.037	2	109.4461	2.201	17	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:4:2:4:	4:1:1:1:	4:3:3:	C[6a]-3:C[6]-4:N[6]-2:C-4:	C[6]-4:H-1:H-1:I-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(CHHI)	C(C[6]C[6a]C[6]N[6])(H)2(I)	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(CHHI){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C(C[6]C[6a]C[6]N[6])(H)2(I)	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	110.1830	0.000	1	110.9290	1.113	2	110.9290	1.113	2	109.4461	2.201	17	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:4:2:4:	4:1:1:1:	4:3:3:	C[6a]-3:C[6]-4:N[6]-2:C-4:	C[6]-4:H-1:H-1:I-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(CHHI)	C(C[6]C[6a]C[6]N[6])(H)2(I)	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(CHHI){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C(C[6]C[6a]C[6]N[6])(H)2(I)	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	111.6750	0.000	1	110.9290	1.113	2	110.9290	1.113	2	109.4461	2.201	17	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:4:2:4:	4:1:1:1:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:C-4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CF3)	C(C[6]C[6a]C[6]O[6])(F)3	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CF3){1|O<1>,2|H<1>,4|C<3>}	C(C[6]C[6a]C[6]O[6])(F)3	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	108.9765	0.421	2	108.8740	0.074	4	108.8740	0.074	4	109.4461	2.201	17	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:4:2:4:	4:1:1:1:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:C-4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CF3)	C(C[6]C[6a]C[6]O[6])(F)3	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CF3){4|C<3>,4|H<1>}	C(C[6]C[6a]C[6]O[6])(F)3	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	108.7715	0.039	2	108.8740	0.074	4	108.8740	0.074	4	109.4461	2.201	17	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:4:2:4:	4:1:1:1:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]O[6])(CH3)	C(C[6]C[6a]C[6]O[6])(H)3	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]O[6])(CH3){1|C<4>,2|C<3>,4|H<1>}	C(C[6]C[6a]C[6]O[6])(H)3	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	111.6210	0.000	1	111.6210	0.000	1	110.3236	1.544	7	109.4461	2.201	17	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:4:2:4:	4:1:1:1:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CH3)	C(C[6]C[6a]C[6]O[6])(H)3	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CH3){1|O<1>,3|C<3>,3|H<1>}	C(C[6]C[6a]C[6]O[6])(H)3	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	110.2650	0.000	1	110.6580	0.387	3	110.3236	1.544	7	109.4461	2.201	17	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:4:2:4:	4:1:1:1:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CH3)	C(C[6]C[6a]C[6]O[6])(H)3	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CH3){3|H<1>,5|C<3>}	C(C[6]C[6a]C[6]O[6])(H)3	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	111.3750	0.000	1	110.6580	0.387	3	110.3236	1.544	7	109.4461	2.201	17	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:4:2:4:	4:1:1:1:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CH3)	C(C[6]C[6a]C[6]O[6])(H)3	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CH3){4|C<3>,5|H<1>}	C(C[6]C[6a]C[6]O[6])(H)3	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	110.3340	0.000	1	110.6580	0.387	3	110.3236	1.544	7	109.4461	2.201	17	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:4:2:4:	4:1:1:1:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(CH3)	C(C[6]C[6a]C[6]O[6])(H)3	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(CH3){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C(C[6]C[6a]C[6]O[6])(H)3	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	111.2960	0.000	1	109.5567	2.354	3	110.3236	1.544	7	109.4461	2.201	17	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:4:2:4:	4:1:1:1:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(CH3)	C(C[6]C[6a]C[6]O[6])(H)3	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(CH3){1|C<4>,2|C<3>,5|H<1>}	C(C[6]C[6a]C[6]O[6])(H)3	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	108.6870	0.413	2	109.5567	2.354	3	110.3236	1.544	7	109.4461	2.201	17	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:4:2:4:	4:1:1:1:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:C-4:	C[6]-4:H-1:H-1:I-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CHHI)	C(C[6]C[6a]C[6]O[6])(H)2(I)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CHHI){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C(C[6]C[6a]C[6]O[6])(H)2(I)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	107.2240	0.000	1	107.0685	0.048	2	107.0685	0.048	2	109.4461	2.201	17	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:4:2:4:	4:1:1:1:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:C-4:	C[6]-4:H-1:H-1:I-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CHHI)	C(C[6]C[6a]C[6]O[6])(H)2(I)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CHHI){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C(C[6]C[6a]C[6]O[6])(H)2(I)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	106.9130	0.000	1	107.0685	0.048	2	107.0685	0.048	2	109.4461	2.201	17	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:4:2:4:	4:4:1:1:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:C-4:	C[6]-4:S-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(O[6]O[6])(CHHS)	C(C[6]C[6a]C[6]O[6])(SC[6a]OO)(H)2	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(O[6]O[6])(CHHS){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6a]C[6]O[6])(SC[6a]OO)(H)2	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{1|C<3>,2|O<2>,4|H<1>}	114.2110	0.000	1	114.2110	0.000	1	114.2110	0.000	1	114.2110	0.000	1	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:4:3:3:	4:3:1:1:	3:3:4:	C[6a]-3:C-4:C[6]-3:C[6]-3:	C[6]-4:C[6a]-3:Cl-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(CC[6a]ClH)(C[6]C[6]O)2	C(C[6]C[6a]C[6]2)(C[6a]C[6a]2)(Cl)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(CC[6a]ClH)(C[6]C[6]O)2{1|C<4>,2|C<3>,6|H<1>}	C(C[6]C[6a]C[6]2)(C[6a]C[6a]2)(Cl)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	108.1730	0.000	1	108.1730	0.000	1	108.1730	0.000	1	108.1730	0.000	1	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:4:3:4:	4:1:1:1:	3:3:4:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(CH3)	C(C[6]C[6a]C[6]2)(H)3	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(CH3){1|N<3>,2|H<1>,4|C<3>}	C(C[6]C[6a]C[6]2)(H)3	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){2|C<2>,3|C<3>,3|H<1>}	112.4980	0.000	1	112.4980	0.000	1	110.4329	3.743	7	110.2671	3.428	8	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:4:3:4:	4:1:1:1:	3:3:4:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	C(C[6]C[6a]C[6]2)(H)3	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3){3|C<3>,5|H<1>}	C(C[6]C[6a]C[6]2)(H)3	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<4>,3|C<3>,4|H<1>}	111.9540	0.000	1	111.9540	0.000	1	110.4329	3.743	7	110.2671	3.428	8	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:4:3:4:	4:1:1:1:	3:3:4:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]Br)(CH3)	C(C[6]C[6a]C[6]2)(H)3	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]Br)(CH3){1|Br<1>,1|O<2>,2|H<1>,4|C<3>}	C(C[6]C[6a]C[6]2)(H)3	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	109.8430	0.000	1	109.8430	0.000	1	110.4329	3.743	7	110.2671	3.428	8	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:4:3:4:	4:1:1:1:	3:3:4:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C(C[6]C[6a]C[6]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<4>,2|C<3>,2|I<1>,4|H<1>}	C(C[6]C[6a]C[6]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(C[6]C[6]2C){1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|O<2>}	108.0800	0.000	1	108.0800	0.000	1	110.4329	3.743	7	110.2671	3.428	8	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:4:3:4:	4:1:1:1:	3:3:4:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C(C[6]C[6a]C[6]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6a]C[6]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2C){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	112.7770	0.000	1	112.7770	0.000	1	110.4329	3.743	7	110.2671	3.428	8	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:4:3:4:	4:1:1:1:	3:3:4:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)(CH3)	C(C[6]C[6a]C[6]2)(H)3	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)(CH3){2|H<1>,5|C<3>}	C(C[6]C[6a]C[6]2)(H)3	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	108.9390	0.185	2	108.9390	0.034	2	110.4329	3.743	7	110.2671	3.428	8	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:4:3:4:	4:1:1:1:	3:3:4:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:H-1:H-1:I-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]N)(CHHI)	C(C[6]C[6a]C[6]2)(H)2(I)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]N)(CHHI){1|C<4>,2|C<3>,6|H<1>}	C(C[6]C[6a]C[6]2)(H)2(I)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	109.1070	0.000	1	109.1070	0.000	1	109.1070	0.000	1	110.2671	3.428	8	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:4:3:4:	4:1:1:1:	4:3:3:	C[6a]-3:C[6]-4:N[6]-3:C-4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]FF)(N[6]C[6]H)(CF3)	C(C[6]C[6a]C[6]N[6])(F)3	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]FF)(N[6]C[6]H)(CF3){2|C<4>,2|F<1>,2|H<1>,3|C<3>}	C(C[6]C[6a]C[6]N[6])(F)3	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|F<1>,3|H<1>}	104.7915	0.172	2	104.7915	0.030	2	104.7915	0.030	2	108.8980	15.653	5	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:4:3:4:	4:1:1:1:	4:3:3:	C[6a]-3:C[6]-4:N[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(CH3)	C(C[6]C[6a]C[6]N[6])(H)3	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(CH3){1|C<4>,2|C<3>,6|H<1>}	C(C[6]C[6a]C[6]N[6])(H)3	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	113.6310	0.000	1	113.6310	0.000	1	111.6357	3.186	3	108.8980	15.653	5	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:4:3:4:	4:1:1:1:	4:3:3:	C[6a]-3:C[6]-4:N[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(CH3)	C(C[6]C[6a]C[6]N[6])(H)3	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(CH3){2|H<1>,5|C<3>}	C(C[6]C[6a]C[6]N[6])(H)3	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2{3|C<3>,5|H<1>}	110.6380	0.632	2	110.6380	0.400	2	111.6357	3.186	3	108.8980	15.653	5	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:4:3:4:	4:3:1:1:	3:3:4:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:C-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(C[6]O[6]O)(CCHH)	C(C[6]C[6a]C[6]2)(CCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(C[6]C[6]2C)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(C[6]O[6]O)(CCHH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C(C[6]C[6a]C[6]2)(CCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(C[6]C[6]2C){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	116.5660	0.000	1	116.5660	0.000	1	116.5660	0.000	1	113.1743	7.748	4	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:4:3:4:	4:3:1:1:	3:3:4:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]H)(CC[6a]HH)	C(C[6]C[6a]C[6]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]H)(CC[6a]HH){1|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6a]C[6]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|N<3>,2|C<3>,5|H<1>}	111.1900	1.879	2	111.1900	3.532	2	111.1900	3.532	2	113.1743	7.748	4	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:4:3:4:	4:3:1:1:	3:3:4:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(CHHN)	C(C[6]C[6a]C[6]2)(NCS)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(CHHN){2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6a]C[6]2)(NCS)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2C){1|C<4>,2|C<3>,5|H<1>}	113.7510	0.000	1	113.7510	0.000	1	113.7510	0.000	1	113.1743	7.748	4	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:4:3:4:	4:4:1:1:	3:3:4:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(CCHH)	C(C[6]C[6a]C[6]2)(CC[6a]CH)(H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(CCHH){2|H<1>,5|C<3>}	C(C[6]C[6a]C[6]2)(CC[6a]CH)(H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){4|C<3>,4|H<1>}	108.7740	0.000	1	108.7740	0.000	1	108.7281	3.655	7	108.7281	3.655	7	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:4:3:4:	4:4:1:1:	3:3:4:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C(C[6]C[6a]C[6]2)(CC[6a]CH)(H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|C<4>,2|C<3>,6|H<1>}	C(C[6]C[6a]C[6]2)(CC[6a]CH)(H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	106.1270	0.000	1	106.1270	0.000	1	108.7281	3.655	7	108.7281	3.655	7	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:4:3:4:	4:4:1:1:	3:3:4:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)(CCHH)	C(C[6]C[6a]C[6]2)(CCCH)(H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)(CCHH){2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6a]C[6]2)(CCCH)(H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	111.4260	0.000	1	111.4260	0.000	1	108.7281	3.655	7	108.7281	3.655	7	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:4:3:4:	4:4:1:1:	3:3:4:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)(CCHH)	C(C[6]C[6a]C[6]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)(CCHH){3|C<3>,5|H<1>}	C(C[6]C[6a]C[6]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	108.0330	0.000	1	108.0330	0.000	1	108.7281	3.655	7	108.7281	3.655	7	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:4:3:4:	4:4:1:1:	3:3:4:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]S)(CCHH)	C(C[6]C[6a]C[6]2)(CCCH)(H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]S)(CCHH){2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6a]C[6]2)(CCCH)(H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<3>,1|C<4>,1|N<3>,1|S<2>,4|H<1>}	109.9360	1.004	2	109.9360	1.008	2	108.7281	3.655	7	108.7281	3.655	7	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:4:3:4:	4:4:1:1:	3:3:4:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(C[6]S[6]HS)(C[6]O[6]O)(CCHH)	C(C[6]C[6a]C[6]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]S[6]HS)(C[6]O[6]O)(CCHH){2|H<1>,3|C<3>}	C(C[6]C[6a]C[6]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<3>,1|O<1>,1|O<2>,2|S<2>,3|H<1>}	106.8650	0.000	1	106.8650	0.000	1	108.7281	3.655	7	108.7281	3.655	7	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:4:3:4:	4:4:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]2)(CCHH)	C(C[6]C[6,6a]C[6a]C[6])(CH3)(H)2	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]2)(CCHH){1|N<3>,1|O<2>,2|H<1>,6|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(CH3)(H)2	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,3|C<3>,4|H<1>}	107.5340	0.000	1	107.5340	0.000	1	107.5340	0.000	1	107.5340	0.000	1	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:4:4:2:	4:3:1:1:	4:3:3:	C[6a]-3:C[6]-4:C-4:O[6]-2:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(CC[6a]HH)(O[6]C[6])	C(C[6]C[6a]C[6]O[6])(C[6a]C[6a]2)(H)2	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(CC[6a]HH)(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C(C[6]C[6a]C[6]O[6])(C[6a]C[6a]2)(H)2	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	109.5690	0.000	1	109.5690	0.000	1	109.5690	0.000	1	109.5690	0.000	1	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6a]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C(C[6]C[6a]C[6]2)(H)3	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|H<1>,5|C<3>}	C(C[6]C[6a]C[6]2)(H)3	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<4>,3|C<3>,5|H<1>}	111.4475	1.023	2	111.4475	1.047	2	110.2512	8.813	4	110.2512	8.813	4	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6a]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]CH)(CH3)	C(C[6]C[6a]C[6]2)(H)3	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]CH)(CH3){1|C<4>,3|C<3>,4|H<1>}	C(C[6]C[6a]C[6]2)(H)3	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	112.1910	0.000	1	112.1910	0.000	1	110.2512	8.813	4	110.2512	8.813	4	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6a]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CH3)	C(C[6]C[6a]C[6]2)(H)3	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CH3){1|C<4>,2|C<3>,6|H<1>}	C(C[6]C[6a]C[6]2)(H)3	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|N<2>,2|C<4>,6|H<1>}	105.9190	0.000	1	105.9190	0.000	1	110.2512	8.813	4	110.2512	8.813	4	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:4:4:4:	4:1:1:1:	3:4:2:	C[6a]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6](C[6a]C[6a]N[6a])(C[6]N[6]HH)2(CH3)	C(C[6]C[6a]C[6]2)(H)3	C[6a](C[6a]C[6a]H)(C[6]C[6]2C)(N[6a]C[6a])	C[6](C[6a]C[6a]N[6a])(C[6]N[6]HH)2(CH3){1|Nb<4>,2|Si<4>,1|H<1>,2|C<3>}	C(C[6]C[6a]C[6]2)(H)3	C[6a](C[6a]C[6a]H)(C[6]C[6]2C)(N[6a]C[6a]){1|C<3>,2|N<3>,6|H<1>}	111.5240	0.263	2	111.5240	0.069	2	111.5240	0.069	2	111.5240	0.069	2	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:4:4:4:	4:1:1:1:	4:3:2:	C[6a]-3:C[6]-4:N[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6](C[6a]C[6a]N[6a])(C[6]C[6a]N[6]C)(N[6]C[6]HH)(CH3)	C(C[6]C[6a]C[6]N[6])(H)3	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)(N[6a]C[6a])	C[6](C[6a]C[6a]N[6a])(C[6]C[6a]N[6]C)(N[6]C[6]HH)(CH3){1|C<4>,1|N<2>,3|C<3>,5|H<1>}	C(C[6]C[6a]C[6]N[6])(H)3	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<4>,2|C<3>,2|C<4>,4|H<1>}	111.2190	1.092	2	111.2190	1.192	2	111.2190	1.192	2	111.2190	1.192	2	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:4:4:4:	4:2:1:1:	3:3:4:	C[6a]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CHHO)	C(C[6]C[6a]C[6]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CHHO){1|C<4>,2|C<3>,6|H<1>}	C(C[6]C[6a]C[6]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|N<2>,2|C<4>,6|H<1>}	107.6793	1.180	3	107.6743	0.929	4	107.6743	0.929	4	107.6743	0.929	4	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:4:4:4:	4:2:1:1:	3:3:4:	C[6a]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CHHO)	C(C[6]C[6a]C[6]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CHHO){1|C<4>,3|C<3>,4|H<1>}	C(C[6]C[6a]C[6]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<4>,2|C<3>,6|H<1>}	107.6590	0.000	1	107.6743	0.929	4	107.6743	0.929	4	107.6743	0.929	4	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:4:4:4:	4:3:1:1:	3:3:4:	C[6a]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:N-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2(CHHN)	C(C[6]C[6a]C[6]2)(NC[6a]S)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(C[6]C[6]2C)	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2(CHHN){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C(C[6]C[6a]C[6]2)(NC[6a]S)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(C[6]C[6]2C){2|C<4>,4|C<3>,5|H<1>}	109.1880	0.000	2	109.1880	0.000	2	109.1880	0.000	2	109.6483	0.636	3	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:4:4:4:	4:3:1:1:	3:3:4:	C[6a]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CHHN)	C(C[6]C[6a]C[6]2)(NOO)(H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CHHN){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C(C[6]C[6a]C[6]2)(NOO)(H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<4>,2|C<3>,6|H<1>}	110.5690	0.000	1	110.5690	0.000	1	110.5690	0.000	1	109.6483	0.636	3	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[6a]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CCHH)	C(C[6]C[6a]C[6]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CCHH){1|C<4>,2|C<3>,6|H<1>}	C(C[6]C[6a]C[6]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<3>,2|C<4>,6|H<1>}	108.6710	0.000	1	108.6710	0.000	1	109.7335	2.258	2	109.7335	2.258	2	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[6a]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CCHH)	C(C[6]C[6a]C[6]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CCHH){1|C<4>,3|C<3>,5|H<1>}	C(C[6]C[6a]C[6]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6]C[6]2C){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	110.7960	0.000	1	110.7960	0.000	1	109.7335	2.258	2	109.7335	2.258	2	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	4:3:2:4:	4:1:1:1:	4:3:3:	C[6]-4:C[6a]-3:O[6]-2:C-4:	C[6]-4:Cl-1:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]B[6])(CClHH)	C(C[6]C[6a]C[6]O[6])(Cl)(H)2	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]B[6])(CClHH){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6a]C[6]O[6])(Cl)(H)2	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{1|B<4>,2|C<3>,4|H<1>}	110.8170	0.000	1	110.8170	0.000	1	110.8170	0.000	1	109.6096	2.889	11	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	4:3:2:4:	4:1:1:1:	4:3:3:	C[6]-4:C[6a]-3:O[6]-2:C-4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(O[6]C[6])(CF3)	C(C[6]C[6a]C[6]O[6])(F)3	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(O[6]C[6])(CF3){1|O<1>,2|H<1>,4|C<3>}	C(C[6]C[6a]C[6]O[6])(F)3	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	109.7220	0.000	1	109.7220	0.000	1	109.2965	0.362	2	109.6096	2.889	11	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	4:3:2:4:	4:1:1:1:	4:3:3:	C[6]-4:C[6a]-3:O[6]-2:C-4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(O[6]C[6])(CF3)	C(C[6]C[6a]C[6]O[6])(F)3	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(O[6]C[6])(CF3){1|O<1>,2|H<1>,4|C<3>}	C(C[6]C[6a]C[6]O[6])(F)3	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	108.8710	0.000	1	108.8710	0.000	1	109.2965	0.362	2	109.6096	2.889	11	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	4:3:2:4:	4:1:1:1:	4:3:3:	C[6]-4:C[6a]-3:O[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6])(CH3)	C(C[6]C[6a]C[6]O[6])(H)3	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6])(CH3){1|C<4>,3|C<3>,4|H<1>}	C(C[6]C[6a]C[6]O[6])(H)3	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	109.4125	0.303	2	108.6738	0.627	5	109.5370	3.833	8	109.6096	2.889	11	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	4:3:2:4:	4:1:1:1:	4:3:3:	C[6]-4:C[6a]-3:O[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6])(CH3)	C(C[6]C[6a]C[6]O[6])(H)3	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6])(CH3){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6a]C[6]O[6])(H)3	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	107.9450	0.513	2	108.6738	0.627	5	109.5370	3.833	8	109.6096	2.889	11	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	4:3:2:4:	4:1:1:1:	4:3:3:	C[6]-4:C[6a]-3:O[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6])(CH3)	C(C[6]C[6a]C[6]O[6])(H)3	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6])(CH3){2|C<3>,2|C<4>,5|H<1>}	C(C[6]C[6a]C[6]O[6])(H)3	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	108.6540	0.000	1	108.6738	0.627	5	109.5370	3.833	8	109.6096	2.889	11	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	4:3:2:4:	4:1:1:1:	4:3:3:	C[6]-4:C[6a]-3:O[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]O[6])(CH3)	C(C[6]C[6a]C[6]O[6])(H)3	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]O[6])(CH3){2|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6a]C[6]O[6])(H)3	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	108.0590	0.000	1	108.0590	0.000	1	109.5370	3.833	8	109.6096	2.889	11	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	4:3:2:4:	4:1:1:1:	4:3:3:	C[6]-4:C[6a]-3:O[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(O[6]C[6])(CH3)	C(C[6]C[6a]C[6]O[6])(H)3	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(O[6]C[6])(CH3){2|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6a]C[6]O[6])(H)3	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	112.4340	1.274	2	112.4340	1.624	2	109.5370	3.833	8	109.6096	2.889	11	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	4:3:3:4:	4:1:1:1:	3:3:4:	C[6]-4:C[6a]-3:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6]C[6,6a]C[6a]2)(C[6a]C[6a]2)(C[6]N[6]H)(CH3)	C(C[6]C[6a]C[6]2)(H)3	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6]C[6,6a]C[6a]2)(C[6a]C[6a]2)(C[6]N[6]H)(CH3){2|H<1>,8|C<3>}	C(C[6]C[6a]C[6]2)(H)3	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|N<2>,3|H<1>,4|C<3>}	109.4180	0.089	2	109.4180	0.008	2	111.0874	2.424	5	111.0874	2.424	5	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	4:3:3:4:	4:1:1:1:	3:3:4:	C[6]-4:C[6a]-3:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6]C[6,6a]HS)(C[6a]C[6a]2)(C[6]N[6]S)(CH3)	C(C[6]C[6a]C[6]2)(H)3	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6]C[6,6a]HS)(C[6a]C[6a]2)(C[6]N[6]S)(CH3){2|H<1>,4|C<3>}	C(C[6]C[6a]C[6]2)(H)3	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|N<2>,2|C<3>,2|S<2>,3|H<1>}	111.9445	0.078	2	111.9445	0.006	2	111.0874	2.424	5	111.0874	2.424	5	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	4:3:3:4:	4:1:1:1:	3:3:4:	C[6]-4:C[6a]-3:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(CH3)	C(C[6]C[6a]C[6]2)(H)3	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(CH3){5|C<3>,5|H<1>}	C(C[6]C[6a]C[6]2)(H)3	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<4>,3|C<3>,4|H<1>}	112.7120	0.000	1	112.7120	0.000	1	111.0874	2.424	5	111.0874	2.424	5	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	4:3:3:4:	4:1:1:1:	4:3:3:	C[6,6]-4:C[6a]-3:C[6]-3:C-4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C)(CF3)	C(C[6]C[6,6]C[6a]C[6])(F)3	C[6a](C[6]C[6,6]C[6]C)(C[6a]C[6a]H)2	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C)(CF3){1|F<1>,3|H<1>,5|C<3>}	C(C[6]C[6,6]C[6a]C[6])(F)3	C[6a](C[6]C[6,6]C[6]C)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	113.8540	0.000	1	113.8540	0.000	1	113.8540	0.000	1	113.8540	0.000	1	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	4:3:3:4:	4:2:1:1:	3:3:4:	C[6]-4:C[6a]-3:C[6]-3:C-4:	C[6]-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(C[6]C[6]H)(CHHO)	C(C[6]C[6a]C[6]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(C[6]C[6]H)(CHHO){1|Si<4>,2|H<1>,4|C<3>}	C(C[6]C[6a]C[6]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){2|C<4>,3|C<3>,3|H<1>}	111.3825	0.571	2	111.3825	0.326	2	111.3825	0.326	2	111.3825	0.326	2	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	4:3:3:4:	4:3:1:1:	3:3:4:	C[6]-4:C[6a]-3:C[6]-3:C-4:	C[6]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]O)(CCHH)	C(C[6]C[6a]C[6]2)(CCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2C)	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]O)(CCHH){1|H<1>,1|O<2>,4|C<3>}	C(C[6]C[6a]C[6]2)(CCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2C){1|O<1>,2|C<3>,2|O<2>,3|H<1>}	113.6260	0.000	1	113.6260	0.000	1	113.6260	0.000	1	113.6260	0.000	1	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	4:3:3:4:	4:3:1:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[6]-3:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]O[6]O)(CCHH)	C(C[6]C[5,6]C[6a]C[6])(CCH)(H)2	C[6a](C[6]C[5,6]C[6]C)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]O[6]O)(CCHH){1|C<4>,1|O<1>,2|N<3>,3|H<1>,4|C<3>}	C(C[6]C[5,6]C[6a]C[6])(CCH)(H)2	C[6a](C[6]C[5,6]C[6]C)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	108.1165	1.731	4	108.1165	2.996	4	108.1165	2.996	4	108.1165	2.996	4	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	4:3:3:4:	4:4:1:1:	3:3:4:	C[6]-4:C[6a]-3:C[6]-3:C-4:	C[6]-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(C[6]O[6]O)(CCHH)	C(C[6]C[6a]C[6]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(C[6]O[6]O)(CCHH){2|H<1>,4|C<3>}	C(C[6]C[6a]C[6]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	110.5637	1.647	3	110.5637	2.711	3	111.0842	2.083	5	111.0842	2.083	5	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	4:3:3:4:	4:4:1:1:	3:3:4:	C[6]-4:C[6a]-3:C[6]-3:C-4:	C[6]-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]O)(CCHH)	C(C[6]C[6a]C[6]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]O)(CCHH){3|H<1>,5|C<3>}	C(C[6]C[6a]C[6]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	111.8650	0.936	2	111.8650	0.876	2	111.0842	2.083	5	111.0842	2.083	5	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	4:3:3:4:	4:4:1:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[6]-3:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]O)(CCHH)	C(C[6]C[5,6]C[6a]C[6])(CHHO)(H)2	C[6a](C[6]C[5,6]C[6]C)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]O)(CCHH){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C(C[6]C[5,6]C[6a]C[6])(CHHO)(H)2	C[6a](C[6]C[5,6]C[6]C)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|O<2>}	112.0830	0.000	1	112.0830	0.000	1	112.0830	0.000	1	110.9305	2.657	2	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	4:3:3:4:	4:4:1:1:	4:3:3:	C[6,6]-4:C[6a]-3:C[6]-3:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(C[6]O[6]O)(CCHH)	C(C[6]C[6,6]C[6a]C[6])(CH3)(H)2	C[6a](C[6]C[6,6]C[6]C)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(C[6]O[6]O)(CCHH){2|H<1>,6|C<3>}	C(C[6]C[6,6]C[6a]C[6])(CH3)(H)2	C[6a](C[6]C[6,6]C[6]C)(C[6a]C[6a]H)2{1|O<1>,1|O<2>,3|C<3>,3|H<1>}	109.7780	0.000	1	109.7780	0.000	1	109.7780	0.000	1	110.9305	2.657	2	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	4:3:4:4:	4:1:1:1:	3:3:4:	C[6]-4:C[6a]-3:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]CH)(CH3)	C(C[6]C[6a]C[6]2)(H)3	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]CH)(CH3){1|S<4>,2|H<1>,4|C<3>}	C(C[6]C[6a]C[6]2)(H)3	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	110.3990	0.000	1	110.3990	0.000	1	109.5970	1.286	2	109.5970	1.286	2	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	4:3:4:4:	4:1:1:1:	3:3:4:	C[6]-4:C[6a]-3:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HO)(CH3)	C(C[6]C[6a]C[6]2)(H)3	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(C[6]C[6]2C)	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HO)(CH3){1|C<4>,3|H<1>,4|C<3>}	C(C[6]C[6a]C[6]2)(H)3	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(C[6]C[6]2C){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	108.7950	0.000	1	108.7950	0.000	1	109.5970	1.286	2	109.5970	1.286	2	110.2176	4.974	272	110.3366	6.142	3637
466	490	643	0:SP3_SP2_SP3	C[6]	C	C[6a]	4:3:4:4:	4:4:1:1:	3:3:4:	C[6]-4:C[6a]-3:C[6]-4:C-4:	C[6]-4:C-4:Br-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(CBrCH)	C(C[6]C[6a]C[6]2)(CC[6a]HH)(Br)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(CBrCH){4|C<3>,4|H<1>}	C(C[6]C[6a]C[6]2)(CC[6a]HH)(Br)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){2|C<3>,2|C<4>,5|H<1>}	108.0590	0.000	1	108.0590	0.000	1	108.0590	0.000	1	108.0590	0.000	1	110.2176	4.974	272	110.3366	6.142	3637