930	490	542	0:SP2_SP2_SP3	C	C	N[5,5]	3:4:1:	3:1:1:1:	4:4:3:	N[5,5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[4,5,5]-4:C[5,5]-4:C-3:	C(N[5,5]C[4,5,5]C[5,5])(CH3)(O)	C(CN[5,5]O)(H)3	N[5,5](C[4,5,5]C[4,5]2C)(C[5,5]C[4,5,5]HH)(CCO)	C(N[5,5]C[4,5,5]C[5,5])(CH3)(O)	C(CN[5,5]O)(H)3	N[5,5](C[4,5,5]C[4,5]2C)(C[5,5]C[4,5,5]HH)(CCO){1|F<1>,4|H<1>}	116.3400	0.000	1	115.8950	0.396	2	115.8950	0.396	2	116.2883	0.662	3	116.2883	0.662	3	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5,5]	3:4:1:	3:1:1:1:	4:4:3:	N[5,5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[4,5,5]-4:C[5,5]-4:C-3:	C(N[5,5]C[4,5,5]C[5,5])(CH3)(O)	C(CN[5,5]O)(H)3	N[5,5](C[4,5,5]C[4,5]2C)(C[5,5]C[4,5,5]HH)(CCO)	C(N[5,5]C[4,5,5]C[5,5])(CH3)(O)	C(CN[5,5]O)(H)3	N[5,5](C[4,5,5]C[4,5]2C)(C[5,5]C[4,5,5]HH)(CCO){5|H<1>}	115.4500	0.000	1	115.8950	0.396	2	115.8950	0.396	2	116.2883	0.662	3	116.2883	0.662	3	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5,5]	3:4:1:	3:1:1:1:	4:4:3:	N[5,5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C(N[5,5]C[5,5,6]2)(CH3)(O)	C(CN[5,5]O)(H)3	N[5,5](C[5,5,6]C[5,6]2Br)(C[5,5,6]C[5,6]2H)(CCO)	C(N[5,5]C[5,5,6]2)(CH3)(O)	C(CN[5,5]O)(H)3	N[5,5](C[5,5,6]C[5,6]2Br)(C[5,5,6]C[5,6]2H)(CCO){1|C<3>,7|H<1>}	117.0750	0.000	1	117.0750	0.000	1	117.0750	0.000	1	116.2883	0.662	3	116.2883	0.662	3	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5,6]	3:4:1:	4:3:3:1:	4:4:3:	N[5,6]-3:C-4:O-1:	C-4:C-3:N-3:H-1:	C[5,6]-4:C[5,6]-4:C-3:	C(N[5,6]C[5,6]2)(CCHN)(O)	C(CC[6a]HH)(CN[5,6]O)(NHH)(H)	N[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(CCO)	C(N[5,6]C[5,6]2)(CCHN)(O)	C(CC[6a]HH)(CN[5,6]O)(NHH)(H)	N[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(CCO){3|C<4>,6|H<1>}	118.2710	0.000	1	118.2710	0.000	1	118.2710	0.000	1	118.2710	0.000	1	118.2005	0.010	2	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5,6]	3:4:2:	3:4:1:1:	4:4:3:	N[5,6]-3:C-4:O-2:	C-3:C-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:	C(N[5,6]C[5,5,6]C[5,6])(CCHH)(OCu)	C(CN[5,6]O)(CHHN)(H)2	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CCO)	C(N[5,6]C[5,5,6]C[5,6])(CCHH)(OCu)	C(CN[5,6]O)(CHHN)(H)2	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CCO){1|C<4>,1|N<3>,2|H<1>,2|O<2>}	118.1300	0.000	1	118.1300	0.000	1	118.1300	0.000	1	118.1300	0.000	1	118.2005	0.010	2	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:2:4:	3:1:1:1:	3:3:3:	N[5]-3:N-2:C-4:	C-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C(N[5]C[5]2)(NC[6a])(CH3)	C(CN[5]N)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CCN)	C(N[5]C[5]2)(NC[6a])(CH3)	C(CN[5]N)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CCN){1|C<3>,1|H<1>}	115.0265	0.996	2	115.2440	0.638	3	116.2360	0.927	11	116.2360	0.927	11	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:2:4:	3:1:1:1:	3:3:3:	N[5]-3:N-2:C-4:	C-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C(N[5]C[5]2)(NC[6a])(CH3)	C(CN[5]N)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CCN)	C(N[5]C[5]2)(NC[6a])(CH3)	C(CN[5]N)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CCN){1|Ir<6>,1|H<1>}	115.6790	0.000	1	115.2440	0.638	3	116.2360	0.927	11	116.2360	0.927	11	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:2:4:	3:1:1:1:	3:3:3:	N[5]-3:N-2:C-4:	C-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C(N[5]C[5]2)(NC[6a])(CH3)	C(CN[5]N)(H)3	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCN)	C(N[5]C[5]2)(NC[6a])(CH3)	C(CN[5]N)(H)3	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCN){1|C<3>,1|H<1>}	116.8295	0.260	2	116.4523	0.460	3	116.2360	0.927	11	116.2360	0.927	11	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:2:4:	3:1:1:1:	3:3:3:	N[5]-3:N-2:C-4:	C-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C(N[5]C[5]2)(NC[6a])(CH3)	C(CN[5]N)(H)3	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCN)	C(N[5]C[5]2)(NC[6a])(CH3)	C(CN[5]N)(H)3	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCN){1|C<4>,1|H<1>}	115.6980	0.000	1	116.4523	0.460	3	116.2360	0.927	11	116.2360	0.927	11	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:2:4:	3:1:1:1:	3:3:3:	N[5]-3:N-2:C-4:	C-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C(N[5]C[5]2)(NC[6a])(CH3)	C(CN[5]N)(H)3	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCN)	C(N[5]C[5]2)(NC[6a])(CH3)	C(CN[5]N)(H)3	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCN){1|C<3>,1|H<1>}	115.4730	0.000	1	115.4730	0.000	1	116.2360	0.927	11	116.2360	0.927	11	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:2:4:	3:1:1:1:	3:3:3:	N[5]-3:N-2:C-4:	C-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C(N[5]C[5]2)(NC[6a])(CH3)	C(CN[5]N)(H)3	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCN)	C(N[5]C[5]2)(NC[6a])(CH3)	C(CN[5]N)(H)3	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCN){1|C<4>,1|H<1>}	117.3300	0.000	1	116.8577	0.369	3	116.2360	0.927	11	116.2360	0.927	11	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:2:4:	3:1:1:1:	3:3:3:	N[5]-3:N-2:C-4:	C-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C(N[5]C[5]2)(NC[6a])(CH3)	C(CN[5]N)(H)3	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCN)	C(N[5]C[5]2)(NC[6a])(CH3)	C(CN[5]N)(H)3	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCN){1|Ir<6>,1|H<1>}	116.6215	0.636	2	116.8577	0.369	3	116.2360	0.927	11	116.2360	0.927	11	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:2:4:	3:1:1:1:	3:3:3:	N[5]-3:N-2:C-4:	C-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C(N[5]C[5]2)(NC[6a])(CH3)	C(CN[5]N)(H)3	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCN)	C(N[5]C[5]2)(NC[6a])(CH3)	C(CN[5]N)(H)3	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCN){1|C<3>,1|H<1>}	117.4610	0.000	1	117.4610	0.000	1	116.2360	0.927	11	116.2360	0.927	11	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:2:4:	3:4:4:4:	3:2:3:	N[5]-3:N-2:C-4:	C-3:C-4:C-4:C-4:	C[5]-3:C[5]-2:C-3:	C(N[5]C[5]2)(NC[6a])(CC3)	C(CN[5]N)(CH3)3	N[5](C[5]C[5]H)(C[5]N[5])(CCN)	C(N[5]C[5]2)(NC[6a])(CC3)	C(CN[5]N)(CH3)3	N[5](C[5]C[5]H)(C[5]N[5])(CCN){1|C<3>,1|H<1>}	117.1350	0.000	1	117.1350	0.000	1	117.1350	0.000	1	117.1350	0.000	1	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:3:4:	3:1:1:1:	3:2:3:	N[5]-3:C-3:C-4:	C-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-3:	C(N[5]C[5]N[5])(CC[6a]O)(CH3)	C(CN[5]C)(H)3	N[5](C[5]N[5]H)(N[5]C[5])(CCC)	C(N[5]C[5]N[5])(CC[6a]O)(CH3)	C(CN[5]C)(H)3	N[5](C[5]N[5]H)(N[5]C[5])(CCC){2|H<1>}	114.3800	0.000	1	114.3800	0.000	1	114.3800	0.000	1	114.3800	0.000	1	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:3:4:	3:1:1:1:	3:3:3:	N[5]-3:C-3:C-4:	C-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C(N[5]C[5]2)(CC[6a]O)(CH3)	C(CN[5]C)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CCC)	C(N[5]C[5]2)(CC[6a]O)(CH3)	C(CN[5]C)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CCC){2|H<1>}	114.7750	0.000	1	114.7750	0.000	1	114.7750	0.000	1	117.7557	1.789	16	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:3:4:	3:1:1:1:	3:3:3:	N[5]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:C-3:	C(N[5]C[5,6a]N[5])(NReH)(CH3)	C(CN[5]N)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Re)(CCN)	C(N[5]C[5,6a]N[5])(NReH)(CH3)	C(CN[5]N)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Re)(CCN){2|C<3>,2|H<1>}	118.8280	0.369	2	118.8280	0.136	2	118.9017	0.084	3	117.7557	1.789	16	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:3:4:	3:1:1:1:	3:3:3:	N[5]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:C-3:	C(N[5]C[5,6a]N[5])(NRuH)(CH3)	C(CN[5]N)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Ru)(CCN)	C(N[5]C[5,6a]N[5])(NRuH)(CH3)	C(CN[5]N)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Ru)(CCN){2|C<3>,2|H<1>}	119.0490	0.000	1	119.0490	0.000	1	118.9017	0.084	3	117.7557	1.789	16	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:3:4:	3:1:1:1:	3:3:3:	N[5]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C(N[5]C[5]2)(NC[6a]Cr)(CH3)	C(CN[5]N)(H)3	N[5](C[5]N[5]Cr)(C[5]C[5]H)(CCN)	C(N[5]C[5]2)(NC[6a]Cr)(CH3)	C(CN[5]N)(H)3	N[5](C[5]N[5]Cr)(C[5]C[5]H)(CCN){1|C<4>,1|H<1>}	116.1730	0.000	1	116.1730	0.000	1	117.4947	0.670	7	117.7557	1.789	16	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:3:4:	3:1:1:1:	3:3:3:	N[5]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C(N[5]C[5]2)(NC[6a]Fe)(CH3)	C(CN[5]N)(H)3	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCN)	C(N[5]C[5]2)(NC[6a]Fe)(CH3)	C(CN[5]N)(H)3	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCN){1|C<3>,1|H<1>}	117.0400	0.000	1	117.0400	0.000	1	117.4947	0.670	7	117.7557	1.789	16	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:3:4:	3:1:1:1:	3:3:3:	N[5]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C(N[5]C[5]2)(NC[6a]Ir)(CH3)	C(CN[5]N)(H)3	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCN)	C(N[5]C[5]2)(NC[6a]Ir)(CH3)	C(CN[5]N)(H)3	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCN){1|C<4>,1|H<1>}	117.8080	0.000	1	118.0197	0.042	3	117.4947	0.670	7	117.7557	1.789	16	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:3:4:	3:1:1:1:	3:3:3:	N[5]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C(N[5]C[5]2)(NC[6a]Ir)(CH3)	C(CN[5]N)(H)3	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCN)	C(N[5]C[5]2)(NC[6a]Ir)(CH3)	C(CN[5]N)(H)3	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCN){1|Ir<6>,1|H<1>}	118.2190	0.000	1	118.0197	0.042	3	117.4947	0.670	7	117.7557	1.789	16	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:3:4:	3:1:1:1:	3:3:3:	N[5]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C(N[5]C[5]2)(NC[6a]Ir)(CH3)	C(CN[5]N)(H)3	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCN)	C(N[5]C[5]2)(NC[6a]Ir)(CH3)	C(CN[5]N)(H)3	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCN){2|H<1>}	118.0320	0.000	1	118.0197	0.042	3	117.4947	0.670	7	117.7557	1.789	16	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:3:4:	3:1:1:1:	3:3:3:	N[5]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C(N[5]C[5]2)(NC[6a]Pd)(CH3)	C(CN[5]N)(H)3	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCN)	C(N[5]C[5]2)(NC[6a]Pd)(CH3)	C(CN[5]N)(H)3	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCN){1|C<3>,1|H<1>}	116.8430	0.000	1	116.8430	0.000	1	117.4947	0.670	7	117.7557	1.789	16	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:3:4:	3:1:1:1:	3:3:3:	N[5]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C(N[5]C[5]2)(NIrH)(CH3)	C(CN[5]N)(H)3	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCN)	C(N[5]C[5]2)(NIrH)(CH3)	C(CN[5]N)(H)3	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCN){1|C<4>,1|H<1>}	118.3480	0.000	1	118.3480	0.000	1	117.4947	0.670	7	117.7557	1.789	16	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:3:4:	3:1:1:1:	3:3:3:	N[5]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-3:	C(N[5]C[5]N[5])(NMoH)(CH3)	C(CN[5]N)(H)3	N[5](N[5]C[5]Mo)(C[5]C[5]H)(CCN)	C(N[5]C[5]N[5])(NMoH)(CH3)	C(CN[5]N)(H)3	N[5](N[5]C[5]Mo)(C[5]C[5]H)(CCN){1|C<3>,1|O<2>}	118.2130	0.000	1	118.2130	0.000	1	118.0296	2.241	5	117.7557	1.789	16	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:3:4:	3:1:1:1:	3:3:3:	N[5]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-3:	C(N[5]C[5]N[5])(NNiH)(CH3)	C(CN[5]N)(H)3	N[5](N[5]C[5]Ni)(C[5]C[5]H)(CCN)	C(N[5]C[5]N[5])(NNiH)(CH3)	C(CN[5]N)(H)3	N[5](N[5]C[5]Ni)(C[5]C[5]H)(CCN){2|H<1>}	117.0175	0.834	2	117.0175	0.695	2	118.0296	2.241	5	117.7557	1.789	16	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:3:4:	3:1:1:1:	3:3:3:	N[5]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-3:	C(N[5]C[5]N[5])(NReH)(CH3)	C(CN[5]N)(H)3	N[5](N[5]C[5]Re)(C[5]C[5]H)(CCN)	C(N[5]C[5]N[5])(NReH)(CH3)	C(CN[5]N)(H)3	N[5](N[5]C[5]Re)(C[5]C[5]H)(CCN){2|H<1>}	117.4510	0.000	1	117.4510	0.000	1	118.0296	2.241	5	117.7557	1.789	16	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:3:4:	3:1:1:1:	3:3:3:	N[5]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-3:	C(N[5]C[5]N[5])(NRuH)(CH3)	C(CN[5]N)(H)3	N[5](N[5]C[5]Ru)(C[5]C[5]C)(CCN)	C(N[5]C[5]N[5])(NRuH)(CH3)	C(CN[5]N)(H)3	N[5](N[5]C[5]Ru)(C[5]C[5]C)(CCN){1|C<4>,1|H<1>}	120.4490	0.000	1	120.4490	0.000	1	118.0296	2.241	5	117.7557	1.789	16	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:3:4:	3:1:1:1:	4:2:3:	C[6a]-3:N[5]-3:C-4:	C-3:H-1:H-1:H-1:	C[5]-4:Ge[5]-2:C-3:	C(C[6a]C[6a]N[6a])(N[5]Ge[5]C[5])(CH3)	C(CC[6a]N[5])(H)3	N[5](C[5]C[5]HH)(Ge[5]N[5])(CC[6a]C)	C(C[6a]C[6a]N[6a])(N[5]Ge[5]C[5])(CH3)	C(CC[6a]N[5])(H)3	N[5](C[5]C[5]HH)(Ge[5]N[5])(CC[6a]C){1|C<3>,2|H<1>}	125.8565	1.112	2	125.8565	1.237	2	125.8565	1.237	2	123.2808	9.836	5	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:3:4:	3:1:1:1:	4:2:3:	C[6a]-3:N[5]-3:C-4:	C-3:H-1:H-1:H-1:	Ga[5,5]-4:N[5]-2:C-3:	C(C[6a]C[6a]N[6a])(N[5]Ga[5,5]N[5])(CH3)	C(CC[6a]N[5])(H)3	N[5](Ga[5,5]N[5]S[5]2)(N[5]C[5])(CC[6a]C)	C(C[6a]C[6a]N[6a])(N[5]Ga[5,5]N[5])(CH3)	C(CC[6a]N[5])(H)3	N[5](Ga[5,5]N[5]S[5]2)(N[5]C[5])(CC[6a]C){1|N<2>,1|N<3>,2|C<3>}	124.8290	0.000	1	124.8290	0.000	1	124.8290	0.000	1	123.2808	9.836	5	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:3:4:	3:1:1:1:	4:2:3:	N[5]-3:C[5a]-3:C-4:	C-3:H-1:H-1:H-1:	C[5,5,6]-4:N[5]-2:C-3:	C(N[5]C[5,5,6]N[5])(C[5a]C[5a]O[5a])(CH3)	C(CC[5a]N[5])(H)3	N[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5])(CC[5a]C)	C(N[5]C[5,5,6]N[5])(C[5a]C[5a]O[5a])(CH3)	C(CC[5a]N[5])(H)3	N[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5])(CC[5a]C){1|O<1>,2|H<1>,3|C<4>}	119.9310	0.000	2	119.9310	0.000	2	119.9310	0.000	2	123.2808	9.836	5	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:3:4:	3:1:1:1:	4:4:3:	C[5]-3:N[5]-3:C-4:	C-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C(C[5]C[5]2)(N[5]C[5]2)(CH3)	C(CC[5]N[5])(H)3	N[5](C[5]C[5]HH)2(CC[5]C)	C(C[5]C[5]2)(N[5]C[5]2)(CH3)	C(CC[5]N[5])(H)3	N[5](C[5]C[5]HH)2(CC[5]C){4|H<1>}	114.4750	0.000	1	114.4750	0.000	1	114.4750	0.000	1	114.4750	0.000	1	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:3:4:	3:1:1:1:	5:2:3:	C[6a]-3:N[5]-3:C-4:	C-3:H-1:H-1:H-1:	Ga[3x5]-5:N[5]-2:C-3:	C(C[6a]C[6a]N[6a])(N[5]Ga[3x5]N[5])(CH3)	C(CC[6a]N[5])(H)3	N[5](Ga[3x5]N[5,5]N[5,6]S[5]2)(N[5]C[5])(CC[6a]C)	C(C[6a]C[6a]N[6a])(N[5]Ga[3x5]N[5])(CH3)	C(CC[6a]N[5])(H)3	N[5](Ga[3x5]N[5,5]N[5,6]S[5]2)(N[5]C[5])(CC[6a]C){1|N<2>,1|N<3>,4|C<3>}	123.3910	0.000	1	123.3910	0.000	1	123.3910	0.000	1	123.3910	0.000	1	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:3:4:	3:4:2:1:	3:2:3:	N[5]-3:C-3:C-4:	C-3:C-4:O-2:H-1:	C[5]-3:N[5]-2:C-3:	C(N[5]C[5]N[5])(CC[6a]H)(CCHO)	C(CN[5]C)(CC3)(OH)(H)	N[5](C[5]N[5]H)(N[5]C[5])(CCC)	C(N[5]C[5]N[5])(CC[6a]H)(CCHO)	C(CN[5]C)(CC3)(OH)(H)	N[5](C[5]N[5]H)(N[5]C[5])(CCC){1|Co<6>,1|H<1>}	115.8032	0.463	4	115.9990	0.221	6	115.9990	0.221	6	115.9990	0.221	6	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:3:4:	3:4:2:1:	3:2:3:	N[5]-3:C-3:C-4:	C-3:C-4:O-2:H-1:	C[5]-3:N[5]-2:C-3:	C(N[5]C[5]N[5])(CC[6a]H)(CCHO)	C(CN[5]C)(CC3)(OH)(H)	N[5](C[5]N[5]H)(N[5]C[5])(CCC)	C(N[5]C[5]N[5])(CC[6a]H)(CCHO)	C(CN[5]C)(CC3)(OH)(H)	N[5](C[5]N[5]H)(N[5]C[5])(CCC){1|Ni<6>,1|H<1>}	116.3905	0.030	2	115.9990	0.221	6	115.9990	0.221	6	115.9990	0.221	6	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:3:4:	3:4:4:4:	3:3:3:	N[5]-3:N-3:C-4:	C-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:C-3:	C(N[5]C[5]2)(NC[6a]Pd)(CC3)	C(CN[5]N)(CH3)3	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCN)	C(N[5]C[5]2)(NC[6a]Pd)(CC3)	C(CN[5]N)(CH3)3	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCN){1|C<3>,1|H<1>}	117.5880	0.503	2	117.5880	0.253	2	117.0483	1.000	3	117.0483	1.000	3	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:3:4:	3:4:4:4:	3:3:3:	N[5]-3:N-3:C-4:	C-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:C-3:	C(N[5]C[5]2)(NC[6a]Ti)(CC3)	C(CN[5]N)(CH3)3	N[5](C[5]N[5]Ti)(C[5]C[5]H)(CCN)	C(N[5]C[5]2)(NC[6a]Ti)(CC3)	C(CN[5]N)(CH3)3	N[5](C[5]N[5]Ti)(C[5]C[5]H)(CCN){1|C<3>,1|H<1>}	115.9690	0.000	1	115.9690	0.000	1	117.0483	1.000	3	117.0483	1.000	3	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	3:3:3:	N[5]-3:C-4:H-1:	C-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-3:	C(N[5]C[5,6a]C[5])(CH3)(H)	C(CN[5]H)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCH)	C(N[5]C[5,6a]C[5])(CH3)(H)	C(CN[5]H)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCH){1|H<1>,2|C<3>,2|C<4>}	117.5940	0.000	1	117.5940	0.000	1	117.5940	0.000	1	118.1971	0.528	63	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	3:3:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C-3:	C(N[5]C[5,6a]C[5,6])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]N[6])(CCO)	C(N[5]C[5,6a]C[5,6])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]N[6])(CCO){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	118.5010	0.000	1	118.5010	0.000	1	118.5010	0.000	1	118.1971	0.528	63	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	3:3:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-3:	C(N[5]C[5,6a]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(CCO)	C(N[5]C[5,6a]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(CCO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	118.1612	0.824	17	118.1612	0.679	17	118.2020	0.538	61	118.1971	0.528	63	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	3:3:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-3:	C(N[5]C[5,6a]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCO)	C(N[5]C[5,6a]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	117.6650	0.047	2	118.0171	0.398	16	118.2020	0.538	61	118.1971	0.528	63	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	3:3:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-3:	C(N[5]C[5,6a]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCO)	C(N[5]C[5,6a]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCO){1|C<4>,1|H<1>,3|C<3>}	117.6727	0.343	3	118.0171	0.398	16	118.2020	0.538	61	118.1971	0.528	63	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	3:3:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-3:	C(N[5]C[5,6a]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCO)	C(N[5]C[5,6a]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCO){1|H<1>,2|C<3>,2|C<4>}	118.1751	0.697	11	118.0171	0.398	16	118.2020	0.538	61	118.1971	0.528	63	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	3:3:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-3:	C(N[5]C[5,6a]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCO)	C(N[5]C[5,6a]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCO){1|C<4>,1|H<1>,3|C<3>}	119.4370	0.000	1	118.2811	0.393	10	118.2020	0.538	61	118.1971	0.528	63	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	3:3:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-3:	C(N[5]C[5,6a]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCO)	C(N[5]C[5,6a]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCO){1|H<1>,2|C<3>,2|C<4>}	118.1527	0.506	9	118.2811	0.393	10	118.2020	0.538	61	118.1971	0.528	63	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	3:3:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-3:	C(N[5]C[5,6a]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CCO)	C(N[5]C[5,6a]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CCO){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	116.9095	0.875	2	116.9095	0.765	2	118.2020	0.538	61	118.1971	0.528	63	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	3:3:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-3:	C(N[5]C[5,6a]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO)	C(N[5]C[5,6a]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	118.7835	0.635	4	118.5424	0.353	16	118.2020	0.538	61	118.1971	0.528	63	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	3:3:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-3:	C(N[5]C[5,6a]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO)	C(N[5]C[5,6a]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO){1|C<4>,2|C<3>,2|H<1>}	118.3520	0.000	1	118.5424	0.353	16	118.2020	0.538	61	118.1971	0.528	63	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	3:3:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-3:	C(N[5]C[5,6a]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO)	C(N[5]C[5,6a]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO){1|H<1>,1|N<2>,2|C<3>}	118.0070	0.000	1	118.5424	0.353	16	118.2020	0.538	61	118.1971	0.528	63	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	3:3:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-3:	C(N[5]C[5,6a]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO)	C(N[5]C[5,6a]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO){1|H<1>,1|O<2>,3|C<3>}	118.7320	0.000	1	118.5424	0.353	16	118.2020	0.538	61	118.1971	0.528	63	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	3:3:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-3:	C(N[5]C[5,6a]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO)	C(N[5]C[5,6a]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO){1|H<1>,2|C<3>,2|C<4>}	118.6275	0.104	2	118.5424	0.353	16	118.2020	0.538	61	118.1971	0.528	63	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	3:3:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-3:	C(N[5]C[5,6a]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO)	C(N[5]C[5,6a]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO){1|H<1>,3|C<3>}	118.3444	0.844	5	118.5424	0.353	16	118.2020	0.538	61	118.1971	0.528	63	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	3:3:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-3:	C(N[5]C[5,6a]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO)	C(N[5]C[5,6a]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO){2|C<3>,3|H<1>}	119.1540	0.000	1	118.5424	0.353	16	118.2020	0.538	61	118.1971	0.528	63	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	3:3:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-3:	C(N[5]C[5,6a]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO)	C(N[5]C[5,6a]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO){2|H<1>,3|C<3>}	118.3230	0.000	1	118.5424	0.353	16	118.2020	0.538	61	118.1971	0.528	63	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	3:4:3:	N[5]-3:C-4:O-1:	C-3:F-1:F-1:F-1:	C[5,6a]-3:C[5,5]-4:C-3:	C(N[5]C[5,6a]C[5,5])(CF3)(O)	C(CN[5]O)(F)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(CCO)	C(N[5]C[5,6a]C[5,5])(CF3)(O)	C(CN[5]O)(F)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(CCO){1|F<1>,1|H<1>,2|C<4>,3|C<3>}	120.6570	0.000	1	120.6570	0.000	1	119.1310	4.657	2	117.3992	1.217	40	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	3:4:3:	N[5]-3:C-4:O-1:	C-3:F-1:F-1:F-1:	C[5,6a]-3:C[5,5]-4:C-3:	C(N[5]C[5,6a]C[5,5])(CF3)(O)	C(CN[5]O)(F)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CCO)	C(N[5]C[5,6a]C[5,5])(CF3)(O)	C(CN[5]O)(F)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CCO){1|H<1>,2|C<3>,3|C<4>}	117.6050	0.000	1	117.6050	0.000	1	119.1310	4.657	2	117.3992	1.217	40	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	3:4:3:	N[5]-3:C-4:O-1:	C-3:F-1:F-1:F-1:	C[5,6a]-3:C[5]-4:C-3:	C(N[5]C[5,6a]C[5])(CF3)(O)	C(CN[5]O)(F)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO)	C(N[5]C[5,6a]C[5])(CF3)(O)	C(CN[5]O)(F)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO){2|C<3>,3|H<1>}	116.7610	0.000	1	116.7610	0.000	1	116.7610	0.000	1	117.3992	1.217	40	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	3:4:3:	N[5]-3:C-4:O-1:	C-3:F-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-3:	C(N[5]C[5,6a]C[5])(CFHH)(O)	C(CN[5]O)(F)(H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CCO)	C(N[5]C[5,6a]C[5])(CFHH)(O)	C(CN[5]O)(F)(H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CCO){2|C<3>,2|H<1>}	117.0645	0.197	2	117.0645	0.039	2	117.0645	0.039	2	117.3992	1.217	40	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	3:4:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C-3:	C(N[5]C[5,6]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6]N[5,6]C[6])(C[5]C[6a]C[5]H)(CCO)	C(N[5]C[5,6]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6]N[5,6]C[6])(C[5]C[6a]C[5]H)(CCO){3|H<1>,4|C<3>}	115.9480	0.000	1	115.9480	0.000	1	115.9480	0.000	1	117.3992	1.217	40	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	3:4:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5,6a]-3:C[4,5]-4:C-3:	C(N[5]C[5,6a]C[4,5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]O[4]H)(CCO)	C(N[5]C[5,6a]C[4,5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]O[4]H)(CCO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	116.9363	1.813	3	116.9363	3.287	3	117.1873	2.443	4	117.3992	1.217	40	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	3:4:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5,6a]-3:C[4,5]-4:C-3:	C(N[5]C[5,6a]C[4,5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]O[4]O)(CCO)	C(N[5]C[5,6a]C[4,5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]O[4]O)(CCO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	117.9400	0.000	1	117.9400	0.000	1	117.1873	2.443	4	117.3992	1.217	40	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	3:4:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,5,6]-4:C-3:	C(N[5]C[5,5,6]C[5,6a])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(CCO)	C(N[5]C[5,5,6]C[5,6a])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(CCO){2|C<3>,3|C<4>,3|H<1>}	117.6410	0.000	1	117.6410	0.000	1	117.6410	0.000	1	117.3992	1.217	40	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	3:4:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-3:	C(N[5]C[5,6a]C[5,5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(CCO)	C(N[5]C[5,6a]C[5,5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(CCO){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	118.0900	0.000	1	118.0900	0.000	1	117.6913	0.145	3	117.3992	1.217	40	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	3:4:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-3:	C(N[5]C[5,6a]C[5,5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCO)	C(N[5]C[5,6a]C[5,5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCO){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	117.6520	0.000	1	117.6520	0.000	1	117.6913	0.145	3	117.3992	1.217	40	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	3:4:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-3:	C(N[5]C[5,6a]C[5,5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CCO)	C(N[5]C[5,6a]C[5,5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CCO){1|C<4>,1|H<1>,4|C<3>}	117.3320	0.000	1	117.3320	0.000	1	117.6913	0.145	3	117.3992	1.217	40	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	3:4:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-3:	C(N[5]C[5,6a]C[5,6])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CCO)	C(N[5]C[5,6a]C[5,6])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CCO){1|I<1>,2|C<3>,2|C<4>,3|H<1>}	116.3410	0.000	1	116.9495	0.230	4	116.8644	0.208	5	117.3992	1.217	40	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	3:4:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-3:	C(N[5]C[5,6a]C[5,6])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CCO)	C(N[5]C[5,6a]C[5,6])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CCO){1|P<4>,2|C<3>,2|C<4>,3|H<1>}	117.4100	0.000	1	116.9495	0.230	4	116.8644	0.208	5	117.3992	1.217	40	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	3:4:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-3:	C(N[5]C[5,6a]C[5,6])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CCO)	C(N[5]C[5,6a]C[5,6])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CCO){2|C<3>,3|C<4>,3|H<1>}	117.0235	0.309	2	116.9495	0.230	4	116.8644	0.208	5	117.3992	1.217	40	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	3:4:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-3:	C(N[5]C[5,6a]C[5,6])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(CCO)	C(N[5]C[5,6a]C[5,6])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(CCO){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	116.5240	0.000	1	116.5240	0.000	1	116.8644	0.208	5	117.3992	1.217	40	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	3:4:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-3:	C(N[5]C[5,6a]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(CCO)	C(N[5]C[5,6a]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(CCO){1|C<4>,1|H<1>,3|C<3>}	116.7570	0.110	2	116.6290	0.055	3	117.4800	1.177	21	117.3992	1.217	40	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	3:4:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-3:	C(N[5]C[5,6a]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(CCO)	C(N[5]C[5,6a]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(CCO){1|H<1>,2|C<3>,2|C<4>}	116.3730	0.000	1	116.6290	0.055	3	117.4800	1.177	21	117.3992	1.217	40	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	3:4:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-3:	C(N[5]C[5,6a]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CCO)	C(N[5]C[5,6a]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CCO){1|H<1>,1|O<1>,2|C<3>}	119.5025	0.228	2	119.5025	0.052	2	117.4800	1.177	21	117.3992	1.217	40	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	3:4:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-3:	C(N[5]C[5,6a]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO)	C(N[5]C[5,6a]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO){1|H<1>,1|O<1>,2|C<3>}	116.8760	0.000	1	117.0397	0.118	3	117.4800	1.177	21	117.3992	1.217	40	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	3:4:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-3:	C(N[5]C[5,6a]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO)	C(N[5]C[5,6a]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO){1|H<1>,1|O<2>,3|C<3>}	116.8080	0.000	1	117.0397	0.118	3	117.4800	1.177	21	117.3992	1.217	40	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	3:4:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-3:	C(N[5]C[5,6a]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO)	C(N[5]C[5,6a]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO){1|O<2>,2|C<3>,2|H<1>}	117.4350	0.000	1	117.0397	0.118	3	117.4800	1.177	21	117.3992	1.217	40	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	3:4:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-3:	C(N[5]C[5,6a]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO)	C(N[5]C[5,6a]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO){1|H<1>,2|C<3>,2|C<4>}	116.8420	0.000	1	116.8700	0.002	2	117.4800	1.177	21	117.3992	1.217	40	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	3:4:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-3:	C(N[5]C[5,6a]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO)	C(N[5]C[5,6a]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO){1|N<3>,2|C<3>,2|H<1>}	116.8980	0.000	1	116.8700	0.002	2	117.4800	1.177	21	117.3992	1.217	40	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	3:4:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-3:	C(N[5]C[5,6a]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(CCO)	C(N[5]C[5,6a]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(CCO){1|H<1>,1|O<1>,2|C<3>}	116.9990	0.358	3	117.4400	1.192	6	117.4800	1.177	21	117.3992	1.217	40	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	3:4:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-3:	C(N[5]C[5,6a]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(CCO)	C(N[5]C[5,6a]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(CCO){1|H<1>,1|O<2>,3|C<3>}	116.7140	0.000	1	117.4400	1.192	6	117.4800	1.177	21	117.3992	1.217	40	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	3:4:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-3:	C(N[5]C[5,6a]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(CCO)	C(N[5]C[5,6a]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(CCO){1|O<2>,2|C<3>,2|H<1>}	118.4645	1.579	2	117.4400	1.192	6	117.4800	1.177	21	117.3992	1.217	40	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	3:4:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-3:	C(N[5]C[5,6a]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CCO)	C(N[5]C[5,6a]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CCO){2|H<1>,5|C<3>}	117.6260	0.000	1	117.2750	0.246	2	117.4800	1.177	21	117.3992	1.217	40	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	3:4:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-3:	C(N[5]C[5,6a]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CCO)	C(N[5]C[5,6a]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CCO){3|H<1>,4|C<3>}	116.9240	0.000	1	117.2750	0.246	2	117.4800	1.177	21	117.3992	1.217	40	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	3:4:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-3:	C(N[5]C[5,6a]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N)(CCO)	C(N[5]C[5,6a]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N)(CCO){1|H<1>,1|O<1>,4|C<3>}	118.3000	0.000	1	118.3000	0.000	1	117.4800	1.177	21	117.3992	1.217	40	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	3:4:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-3:	C(N[5]C[5,6a]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5]H)(CCO)	C(N[5]C[5,6a]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5]H)(CCO){1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	116.4890	0.000	1	116.4890	0.000	1	117.4800	1.177	21	117.3992	1.217	40	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	3:4:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-3:	C(N[5]C[5,6a]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CCO)	C(N[5]C[5,6a]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CCO){2|C<3>,2|H<1>}	119.3510	0.000	1	119.3510	0.000	1	117.4800	1.177	21	117.3992	1.217	40	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:2:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-2:C-3:	C(N[5]C[5,6]N[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6]C[6]2S[5])(N[5]C[5])(CCO)	C(N[5]C[5,6]N[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6]C[6]2S[5])(N[5]C[5])(CCO){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	117.6870	0.000	1	116.9370	0.339	8	116.9370	0.339	8	117.1980	0.510	90	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:2:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-2:C-3:	C(N[5]C[5,6]N[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6]C[6]2S[5])(N[5]C[5])(CCO)	C(N[5]C[5,6]N[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6]C[6]2S[5])(N[5]C[5])(CCO){1|N<3>,2|C<4>,4|H<1>}	117.0530	0.427	3	116.9370	0.339	8	116.9370	0.339	8	117.1980	0.510	90	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:2:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-2:C-3:	C(N[5]C[5,6]N[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6]C[6]2S[5])(N[5]C[5])(CCO)	C(N[5]C[5,6]N[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6]C[6]2S[5])(N[5]C[5])(CCO){1|N<3>,3|C<4>,3|H<1>}	116.6625	0.606	4	116.9370	0.339	8	116.9370	0.339	8	117.1980	0.510	90	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:2:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-3:	C(N[5]C[5]N[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6])(CCO)	C(N[5]C[5]N[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6])(CCO){1|C<4>,1|H<1>,3|C<3>}	117.2110	0.000	1	117.2110	0.000	1	117.2176	0.528	81	117.1980	0.510	90	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:2:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-3:	C(N[5]C[5]N[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[5]2H)(N[5]C[5])(CCO)	C(N[5]C[5]N[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[5]2H)(N[5]C[5])(CCO){1|Fe<10>,1|C<3>,2|C<4>,2|H<1>}	117.7110	0.000	1	117.7110	0.000	1	117.2176	0.528	81	117.1980	0.510	90	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:2:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-3:	C(N[5]C[5]N[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[5]CH)(N[5]C[5])(CCO)	C(N[5]C[5]N[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[5]CH)(N[5]C[5])(CCO){1|C<3>,2|H<1>}	117.1960	0.000	1	117.3660	0.058	2	117.2176	0.528	81	117.1980	0.510	90	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:2:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-3:	C(N[5]C[5]N[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[5]CH)(N[5]C[5])(CCO)	C(N[5]C[5]N[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[5]CH)(N[5]C[5])(CCO){3|H<1>}	117.5360	0.000	1	117.3660	0.058	2	117.2176	0.528	81	117.1980	0.510	90	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:2:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-3:	C(N[5]C[5]N[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[5a]C[5]H)(N[5]C[5])(CCO)	C(N[5]C[5]N[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[5a]C[5]H)(N[5]C[5])(CCO){1|O<2>,2|C<3>,2|H<1>}	117.5290	0.000	1	117.5746	0.007	5	117.2176	0.528	81	117.1980	0.510	90	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:2:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-3:	C(N[5]C[5]N[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[5a]C[5]H)(N[5]C[5])(CCO)	C(N[5]C[5]N[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[5a]C[5]H)(N[5]C[5])(CCO){1|S<2>,2|C<3>,2|H<1>}	117.6120	0.000	1	117.5746	0.007	5	117.2176	0.528	81	117.1980	0.510	90	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:2:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-3:	C(N[5]C[5]N[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[5a]C[5]H)(N[5]C[5])(CCO)	C(N[5]C[5]N[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[5a]C[5]H)(N[5]C[5])(CCO){2|H<1>,3|C<3>}	117.5773	0.110	3	117.5746	0.007	5	117.2176	0.528	81	117.1980	0.510	90	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:2:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-3:	C(N[5]C[5]N[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[6]S[5]C)(N[5]C[5])(CCO)	C(N[5]C[5]N[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[6]S[5]C)(N[5]C[5])(CCO){1|H<1>,1|N<3>,2|C<4>}	117.1580	0.000	1	117.1580	0.000	1	117.2176	0.528	81	117.1980	0.510	90	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:2:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-3:	C(N[5]C[5]N[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CCO)	C(N[5]C[5]N[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CCO){1|C<4>,2|C<3>,2|H<1>}	118.3270	0.000	1	117.2267	0.564	48	117.2176	0.528	81	117.1980	0.510	90	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:2:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-3:	C(N[5]C[5]N[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CCO)	C(N[5]C[5]N[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CCO){1|N<2>,2|C<3>,2|H<1>}	117.2760	0.000	1	117.2267	0.564	48	117.2176	0.528	81	117.1980	0.510	90	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:2:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-3:	C(N[5]C[5]N[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CCO)	C(N[5]C[5]N[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CCO){2|H<1>,3|C<3>}	117.2017	0.749	46	117.2267	0.564	48	117.2176	0.528	81	117.1980	0.510	90	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:2:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-3:	C(N[5]C[5]N[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[6a]C[5]O)(N[5]C[5])(CCO)	C(N[5]C[5]N[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[6a]C[5]O)(N[5]C[5])(CCO){1|C<4>,2|C<3>,2|H<1>}	117.5437	0.608	3	117.5354	0.241	5	117.2176	0.528	81	117.1980	0.510	90	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:2:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-3:	C(N[5]C[5]N[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[6a]C[5]O)(N[5]C[5])(CCO)	C(N[5]C[5]N[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[6a]C[5]O)(N[5]C[5])(CCO){2|H<1>,3|C<3>}	117.5230	0.477	2	117.5354	0.241	5	117.2176	0.528	81	117.1980	0.510	90	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:2:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-3:	C(N[5]C[5]N[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[6a]O[5]C)(N[5]C[5])(CCO)	C(N[5]C[5]N[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[6a]O[5]C)(N[5]C[5])(CCO){3|C<3>}	116.4888	0.485	6	116.4888	0.236	6	117.2176	0.528	81	117.1980	0.510	90	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:2:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-3:	C(N[5]C[5]N[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[6a]O[5]H)(N[5]C[5])(CCO)	C(N[5]C[5]N[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[6a]O[5]H)(N[5]C[5])(CCO){3|C<3>}	116.9860	0.441	3	116.9860	0.194	3	117.2176	0.528	81	117.1980	0.510	90	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:2:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-3:	C(N[5]C[5]N[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[6a]S[5]C)(N[5]C[5])(CCO)	C(N[5]C[5]N[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[6a]S[5]C)(N[5]C[5])(CCO){1|N<3>,2|C<3>}	117.7050	0.578	2	117.7050	0.335	2	117.2176	0.528	81	117.1980	0.510	90	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:2:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-3:	C(N[5]C[5]N[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[6a]S[5]H)(N[5]C[5])(CCO)	C(N[5]C[5]N[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[6a]S[5]H)(N[5]C[5])(CCO){1|N<3>,2|C<3>}	118.2183	0.625	3	118.2183	0.391	3	117.2176	0.528	81	117.1980	0.510	90	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:2:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-3:	C(N[5]C[5]N[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]O[5]CC)(N[5]C[5])(CCO)	C(N[5]C[5]N[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]O[5]CC)(N[5]C[5])(CCO){1|C<3>}	115.8130	0.000	1	115.8130	0.000	1	117.2176	0.528	81	117.1980	0.510	90	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:2:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-3:	C(N[5]C[5]N[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]S[5]CC)(N[5]C[5])(CCO)	C(N[5]C[5]N[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]S[5]CC)(N[5]C[5])(CCO){1|N<3>}	116.5380	0.420	3	116.5380	0.176	3	117.2176	0.528	81	117.1980	0.510	90	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:2:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5]-4:Se[5]-2:C-3:	C(N[5]Se[5]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[5,5,6]HH)(Se[5]C[5,5,6])(CCO)	C(N[5]Se[5]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[5,5,6]HH)(Se[5]C[5,5,6])(CCO){1|H<1>,1|O<2>,2|C<4>}	117.7010	0.000	1	117.7010	0.000	1	117.7010	0.000	1	117.1980	0.510	90	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:3:3:	N[5]-3:C-4:O-1:	C-3:F-1:F-1:F-1:	C[4,5]-4:C[5,6a]-3:C-3:	C(N[5]C[5,6a]C[4,5])(CF3)(O)	C(CN[5]O)(F)3	N[5](C[4,5]C[4,5,5]C[6a]C[4])(C[5,6a]C[5,6a]C[6a])(CCO)	C(N[5]C[5,6a]C[4,5])(CF3)(O)	C(CN[5]O)(F)3	N[5](C[4,5]C[4,5,5]C[6a]C[4])(C[5,6a]C[5,6a]C[6a])(CCO){2|C<4>,3|H<1>,4|C<3>}	121.0980	0.000	1	121.0980	0.000	1	121.0980	0.000	1	118.9848	1.924	37	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:3:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[4,5,6]-4:C[5,6a]-3:C-3:	C(N[5]C[4,5,6]C[5,6a])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[4,5,6]C[4,5,6]O[4]O[6])(C[5,6a]C[5,6a]C[6a])(CCO)	C(N[5]C[4,5,6]C[5,6a])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[4,5,6]C[4,5,6]O[4]O[6])(C[5,6a]C[5,6a]C[6a])(CCO){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	117.1700	0.000	1	117.1700	0.000	1	117.1700	0.000	1	118.9848	1.924	37	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:3:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[4,5]-4:C[5,6a]-3:C-3:	C(N[5]C[5,6a]C[4,5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[4,5]C[4,5,5]C[4]H)(C[5,6a]C[5,6a]C[6a])(CCO)	C(N[5]C[5,6a]C[4,5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[4,5]C[4,5,5]C[4]H)(C[5,6a]C[5,6a]C[6a])(CCO){2|C<3>,2|C<4>,3|H<1>}	116.6710	0.000	1	116.6710	0.000	1	116.6710	0.000	1	118.9848	1.924	37	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:3:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5,5,6,6]-4:C[5,6a]-3:C-3:	C(N[5]C[5,5,6,6]C[5,6a])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5,6a]C[5,6a]C[6a])(CCO)	C(N[5]C[5,5,6,6]C[5,6a])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5,6a]C[5,6a]C[6a])(CCO){1|C<4>,1|H<1>,8|C<3>}	120.2920	0.000	1	120.2920	0.000	1	120.2920	0.000	1	118.9848	1.924	37	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:3:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C-3:	C(N[5]C[5,6a]C[5,5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(CCO)	C(N[5]C[5,6a]C[5,5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(CCO){1|Br<1>,1|C<4>,2|H<1>,5|C<3>}	118.0480	0.000	1	118.9144	0.920	5	118.9144	0.920	5	118.9848	1.924	37	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:3:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C-3:	C(N[5]C[5,6a]C[5,5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(CCO)	C(N[5]C[5,6a]C[5,5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(CCO){1|Br<1>,2|H<1>,6|C<3>}	119.1310	0.956	4	118.9144	0.920	5	118.9144	0.920	5	118.9848	1.924	37	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:3:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-3:	C(N[5]C[5,5]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(CCO)	C(N[5]C[5,5]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(CCO){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	118.5760	0.000	1	118.5760	0.000	1	119.3295	1.646	4	118.9848	1.924	37	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:3:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-3:	C(N[5]C[5,5]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(CCO)	C(N[5]C[5,5]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(CCO){1|C<4>,3|C<3>,3|H<1>}	119.7140	0.000	1	119.7140	0.000	1	119.3295	1.646	4	118.9848	1.924	37	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:3:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-3:	C(N[5]C[5,5]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CCO)	C(N[5]C[5,5]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CCO){1|C<4>,2|H<1>,2|O<2>}	118.0730	0.000	1	118.0730	0.000	1	119.3295	1.646	4	118.9848	1.924	37	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:3:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-3:	C(N[5]C[5,5]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]S)(CCO)	C(N[5]C[5,5]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]S)(CCO){1|N<3>,2|C<3>,2|C<4>}	120.9550	0.000	1	120.9550	0.000	1	119.3295	1.646	4	118.9848	1.924	37	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:3:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C-3:	C(N[5]C[5,6a]C[5,6])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CCO)	C(N[5]C[5,6a]C[5,6])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CCO){1|C<4>,2|H<1>,4|C<3>}	117.9130	0.000	1	117.9130	0.000	1	117.9130	0.000	1	118.9848	1.924	37	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:3:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C(N[5]C[5,6]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CCO)	C(N[5]C[5,6]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CCO){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	117.1980	0.000	1	117.9530	1.140	2	117.9530	1.140	2	118.9848	1.924	37	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:3:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C(N[5]C[5,6]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CCO)	C(N[5]C[5,6]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CCO){1|O<2>,2|C<4>,2|H<1>}	118.7080	0.000	1	117.9530	1.140	2	117.9530	1.140	2	118.9848	1.924	37	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:3:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(CCO)	C(N[5]C[5]2)(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(CCO){2|C<3>}	117.9780	0.000	1	117.9780	0.000	1	119.3779	1.508	19	118.9848	1.924	37	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:3:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[5]CC)(C[5]C[5]C)(CCO)	C(N[5]C[5]2)(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[5]CC)(C[5]C[5]C)(CCO){1|C<4>,3|H<1>}	117.8870	0.000	1	118.6470	1.155	2	119.3779	1.508	19	118.9848	1.924	37	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:3:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[5]CC)(C[5]C[5]C)(CCO)	C(N[5]C[5]2)(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[5]CC)(C[5]C[5]C)(CCO){1|H<1>,2|C<3>}	119.4070	0.000	1	118.6470	1.155	2	119.3779	1.508	19	118.9848	1.924	37	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:3:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCO)	C(N[5]C[5]2)(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCO){2|H<1>,2|O<2>}	119.1280	0.000	1	119.1280	0.000	1	119.3779	1.508	19	118.9848	1.924	37	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:3:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[5]CH)(C[5]N[5]S)(CCO)	C(N[5]C[5]2)(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[5]CH)(C[5]N[5]S)(CCO){1|H<1>,1|O<1>}	120.6647	0.966	4	120.6647	0.932	4	119.3779	1.508	19	118.9848	1.924	37	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:3:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[5]CoH)(C[5]N[5]O)(CCO)	C(N[5]C[5]2)(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[5]CoH)(C[5]N[5]O)(CCO){1|C<3>,1|H<1>}	118.6650	0.086	2	118.6650	0.007	2	119.3779	1.508	19	118.9848	1.924	37	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:3:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]N)(CCO)	C(N[5]C[5]2)(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]N)(CCO){3|H<1>}	120.2570	0.000	1	120.2570	0.000	1	119.3779	1.508	19	118.9848	1.924	37	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:3:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]O)(CCO)	C(N[5]C[5]2)(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]O)(CCO){1|S<2>,2|H<1>}	117.9700	0.000	1	117.9700	0.000	1	119.3779	1.508	19	118.9848	1.924	37	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:3:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]S)(CCO)	C(N[5]C[5]2)(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]S)(CCO){1|H<1>,1|O<1>}	120.8790	0.000	1	120.6090	0.146	2	119.3779	1.508	19	118.9848	1.924	37	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:3:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]S)(CCO)	C(N[5]C[5]2)(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]S)(CCO){1|O<1>}	120.3390	0.000	1	120.6090	0.146	2	119.3779	1.508	19	118.9848	1.924	37	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:3:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[5]HO)(C[5]C[5]O)(CCO)	C(N[5]C[5]2)(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[5]HO)(C[5]C[5]O)(CCO){2|H<1>}	118.4290	0.000	1	118.4290	0.000	1	119.3779	1.508	19	118.9848	1.924	37	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:3:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[5]HO)(C[5]N[5]O)(CCO)	C(N[5]C[5]2)(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[5]HO)(C[5]N[5]O)(CCO){1|S<2>,2|H<1>}	118.2365	0.913	2	118.2365	0.833	2	119.3779	1.508	19	118.9848	1.924	37	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:3:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CCO)	C(N[5]C[5]2)(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CCO){1|C<4>,1|O<1>,2|C<3>}	118.7340	0.000	1	118.7340	0.000	1	119.3779	1.508	19	118.9848	1.924	37	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:3:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]N[5]S)(CCO)	C(N[5]C[5]2)(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]N[5]S)(CCO){1|H<1>,1|O<1>,2|C<3>}	120.7100	0.000	1	120.7100	0.000	1	119.3779	1.508	19	118.9848	1.924	37	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:3:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-3:	C(N[5]C[5]N[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[5]CH)(N[5]C[5]H)(CCO)	C(N[5]C[5]N[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[5]CH)(N[5]C[5]H)(CCO){1|O<1>,2|H<1>}	116.6840	0.000	1	116.6840	0.000	1	116.6590	0.001	2	118.9848	1.924	37	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:3:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-3:	C(N[5]C[5]N[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[6a]P[5]H)(N[5]C[5]H)(CCO)	C(N[5]C[5]N[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[6a]P[5]H)(N[5]C[5]H)(CCO){1|Rh<6>,1|H<1>,4|C<3>}	116.6340	0.000	1	116.6340	0.000	1	116.6590	0.001	2	118.9848	1.924	37	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:Cl-1:Cl-1:Cl-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CCl3)(O)	C(CN[5]O)(Cl)3	N[5](C[5]C[3x5,6]HP)(C[5]C[5,5,6]HH)(CCO)	C(N[5]C[5]2)(CCl3)(O)	C(CN[5]O)(Cl)3	N[5](C[5]C[3x5,6]HP)(C[5]C[5,5,6]HH)(CCO){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	119.1690	0.117	2	119.1690	0.014	2	119.1690	0.014	2	117.4670	1.388	76	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:Cl-1:Cl-1:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CCl2H)(O)	C(CN[5]O)(Cl)2(H)	N[5](C[5]C[5]HH)(C[5]O[5]CC)(CCO)	C(N[5]C[5]2)(CCl2H)(O)	C(CN[5]O)(Cl)2(H)	N[5](C[5]C[5]HH)(C[5]O[5]CC)(CCO){1|C<4>,1|H<1>}	114.4740	0.000	1	114.4740	0.000	1	114.6545	0.065	2	117.4670	1.388	76	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:Cl-1:Cl-1:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CCl2H)(O)	C(CN[5]O)(Cl)2(H)	N[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CCO)	C(N[5]C[5]2)(CCl2H)(O)	C(CN[5]O)(Cl)2(H)	N[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CCO){2|C<3>,2|H<1>}	114.8350	0.000	1	114.8350	0.000	1	114.6545	0.065	2	117.4670	1.388	76	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:Cl-1:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CClHH)(O)	C(CN[5]O)(Cl)(H)2	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC)(CCO)	C(N[5]C[5]2)(CClHH)(O)	C(CN[5]O)(Cl)(H)2	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC)(CCO){2|H<1>,4|C<3>}	115.5700	0.000	1	115.5700	0.000	1	115.5700	0.000	1	117.4670	1.388	76	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:F-1:F-1:F-1:	C[4,5]-4:C[5]-4:C-3:	C(N[5]C[4,5]C[5])(CF3)(O)	C(CN[5]O)(F)3	N[5](C[4,5]C[4,5]C[6a]C[4])(C[5]C[5]HH)(CCO)	C(N[5]C[4,5]C[5])(CF3)(O)	C(CN[5]O)(F)3	N[5](C[4,5]C[4,5]C[6a]C[4])(C[5]C[5]HH)(CCO){1|C<4>,2|C<3>,5|H<1>}	116.3280	0.000	1	116.3280	0.000	1	116.3280	0.000	1	117.4670	1.388	76	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:F-1:F-1:F-1:	C[5,5,6]-4:C[5]-4:C-3:	C(N[5]C[5,5,6]C[5])(CF3)(O)	C(CN[5]O)(F)3	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]C[5]CH)(CCO)	C(N[5]C[5,5,6]C[5])(CF3)(O)	C(CN[5]O)(F)3	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]C[5]CH)(CCO){2|C<3>,3|C<4>,4|H<1>}	120.3240	0.000	1	120.3240	0.000	1	120.3240	0.000	1	117.4670	1.388	76	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:F-1:F-1:F-1:	C[5,5]-4:C[5]-4:C-3:	C(N[5]C[5,5]C[5])(CF3)(O)	C(CN[5]O)(F)3	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(CCO)	C(N[5]C[5,5]C[5])(CF3)(O)	C(CN[5]O)(F)3	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(CCO){2|C<3>,2|C<4>,2|H<1>}	120.3140	0.000	1	120.3140	0.000	1	120.3140	0.000	1	117.4670	1.388	76	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:F-1:F-1:F-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CF3)(O)	C(CN[5]O)(F)3	N[5](C[5]C[3,3x5]HH)(C[5]C[4x5,6]HH)(CCO)	C(N[5]C[5]2)(CF3)(O)	C(CN[5]O)(F)3	N[5](C[5]C[3,3x5]HH)(C[5]C[4x5,6]HH)(CCO){4|C<4>}	116.6440	0.000	1	116.6440	0.000	1	117.0715	0.193	6	117.4670	1.388	76	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:F-1:F-1:F-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CF3)(O)	C(CN[5]O)(F)3	N[5](C[5]C[5,5]C[3]H)(C[5]C[5,5]HH)(CCO)	C(N[5]C[5]2)(CF3)(O)	C(CN[5]O)(F)3	N[5](C[5]C[5,5]C[3]H)(C[5]C[5,5]HH)(CCO){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	117.3930	0.000	1	117.3930	0.000	1	117.0715	0.193	6	117.4670	1.388	76	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:F-1:F-1:F-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CF3)(O)	C(CN[5]O)(F)3	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	C(N[5]C[5]2)(CF3)(O)	C(CN[5]O)(F)3	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){1|O<2>,3|H<1>}	117.4755	0.322	2	117.0980	0.225	4	117.0715	0.193	6	117.4670	1.388	76	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:F-1:F-1:F-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CF3)(O)	C(CN[5]O)(F)3	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	C(N[5]C[5]2)(CF3)(O)	C(CN[5]O)(F)3	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){2|H<1>,2|O<2>}	116.7205	0.022	2	117.0980	0.225	4	117.0715	0.193	6	117.4670	1.388	76	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:	C(N[5]C[5,5]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,5]C[3x5]C[6a]C[5])(C[5]C[5]HH)(CCO)	C(N[5]C[5,5]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,5]C[3x5]C[6a]C[5])(C[5]C[5]HH)(CCO){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	121.2340	0.000	1	121.2340	0.000	1	117.5950	2.846	7	117.4670	1.388	76	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:	C(N[5]C[5,5]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,5]C[5,5,6a]C[5,6a]C)(C[5]C[5,6a]HH)(CCO)	C(N[5]C[5,5]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,5]C[5,5,6a]C[5,6a]C)(C[5]C[5,6a]HH)(CCO){4|C<3>}	116.8650	0.875	2	116.8650	0.766	2	117.5950	2.846	7	117.4670	1.388	76	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:	C(N[5]C[5,5]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[6a]S[5]H)(CCO)	C(N[5]C[5,5]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[6a]S[5]H)(CCO){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	117.7600	0.000	1	117.7600	0.000	1	117.5950	2.846	7	117.4670	1.388	76	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:	C(N[5]C[5,5]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(CCO)	C(N[5]C[5,5]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(CCO){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	117.0720	0.000	1	117.0720	0.000	1	117.5950	2.846	7	117.4670	1.388	76	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:	C(N[5]C[5,5]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]HH)(CCO)	C(N[5]C[5,5]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]HH)(CCO){1|H<1>,1|N<3>,4|C<3>}	116.5360	0.000	1	116.5360	0.000	1	117.5950	2.846	7	117.4670	1.388	76	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:	C(N[5]C[5,5]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CCO)	C(N[5]C[5,5]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CCO){1|N<2>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	116.8330	0.000	1	116.8330	0.000	1	117.5950	2.846	7	117.4670	1.388	76	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C(N[5]C[5,6]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)	C(N[5]C[5,6]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO){1|C<3>,2|C<4>,4|H<1>}	116.0380	0.000	1	116.0380	0.000	1	117.2403	1.088	3	117.4670	1.388	76	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C(N[5]C[5,6]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CCO)	C(N[5]C[5,6]C[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CCO){2|C<4>,5|H<1>}	117.8415	0.081	2	117.8415	0.007	2	117.2403	1.088	3	117.4670	1.388	76	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(CCO)	C(N[5]C[5]2)(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(CCO){1|O<2>,2|H<1>}	117.5870	0.000	1	117.5870	0.000	1	117.7342	0.560	42	117.4670	1.388	76	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CCO)	C(N[5]C[5]2)(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CCO){1|C<4>,1|N<3>,5|H<1>}	116.0690	0.000	1	116.0690	0.000	1	117.7342	0.560	42	117.4670	1.388	76	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[5]CC)(C[5]C[5]HH)(CCO)	C(N[5]C[5]2)(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[5]CC)(C[5]C[5]HH)(CCO){1|C<3>,3|H<1>}	117.0040	0.000	1	117.0360	0.002	2	117.7342	0.560	42	117.4670	1.388	76	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[5]CC)(C[5]C[5]HH)(CCO)	C(N[5]C[5]2)(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[5]CC)(C[5]C[5]HH)(CCO){4|H<1>}	117.0680	0.000	1	117.0360	0.002	2	117.7342	0.560	42	117.4670	1.388	76	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	C(N[5]C[5]2)(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){1|C<4>,3|H<1>}	117.0170	0.000	1	117.8302	0.339	25	117.7342	0.560	42	117.4670	1.388	76	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	C(N[5]C[5]2)(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){1|N<2>,3|H<1>}	117.1635	0.200	2	117.8302	0.339	25	117.7342	0.560	42	117.4670	1.388	76	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	C(N[5]C[5]2)(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){1|O<2>,3|H<1>}	117.9134	0.344	17	117.8302	0.339	25	117.7342	0.560	42	117.4670	1.388	76	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	C(N[5]C[5]2)(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){2|F<1>,2|H<1>}	117.9470	0.000	1	117.8302	0.339	25	117.7342	0.560	42	117.4670	1.388	76	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	C(N[5]C[5]2)(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){4|H<1>}	117.9845	1.215	4	117.8302	0.339	25	117.7342	0.560	42	117.4670	1.388	76	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[5]CH)(C[5]O[5]CC)(CCO)	C(N[5]C[5]2)(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[5]CH)(C[5]O[5]CC)(CCO){1|C<4>,1|H<1>}	116.7150	0.000	1	116.7150	0.000	1	117.7342	0.560	42	117.4670	1.388	76	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[5]CH)2(CCO)	C(N[5]C[5]2)(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[5]CH)2(CCO){4|H<1>}	117.8994	0.560	5	117.8994	0.313	5	117.7342	0.560	42	117.4670	1.388	76	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]CH)(CCO)	C(N[5]C[5]2)(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]CH)(CCO){1|C<3>,2|H<1>}	116.8365	0.252	2	116.8365	0.064	2	117.7342	0.560	42	117.4670	1.388	76	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[5]HS)(C[5]S[5]CC)(CCO)	C(N[5]C[5]2)(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[5]HS)(C[5]S[5]CC)(CCO){2|C<4>}	118.1970	0.000	1	118.1970	0.000	1	117.7342	0.560	42	117.4670	1.388	76	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CCO)	C(N[5]C[5]2)(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CCO){1|N<3>,2|H<1>,3|C<3>}	117.9010	0.035	2	117.9010	0.001	2	117.7342	0.560	42	117.4670	1.388	76	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(CCO)	C(N[5]C[5]2)(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(CCO){1|C<4>,1|H<1>,2|C<3>}	120.2260	0.000	1	120.2260	0.000	1	117.7342	0.560	42	117.4670	1.388	76	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)(CCO)	C(N[5]C[5]2)(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)(CCO){2|C<3>,2|H<1>}	117.2410	0.000	1	117.2410	0.000	1	117.7342	0.560	42	117.4670	1.388	76	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:4:3:	N[5]-3:C-4:S-1:	C-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CH3)(S)	C(CN[5]S)(H)3	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCS)	C(N[5]C[5]2)(CH3)(S)	C(CN[5]S)(H)3	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCS){1|O<2>,3|H<1>}	116.6963	0.736	6	116.6963	0.542	6	116.5164	0.503	8	117.4670	1.388	76	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:4:3:	N[5]-3:C-4:S-1:	C-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CH3)(S)	C(CN[5]S)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]CH)(CCS)	C(N[5]C[5]2)(CH3)(S)	C(CN[5]S)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]CH)(CCS){1|C<3>,2|H<1>}	115.9765	0.180	2	115.9765	0.033	2	116.5164	0.503	8	117.4670	1.388	76	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:4:3:	N[5]-3:C-4:Se-1:	C-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CH3)(Se)	C(CN[5]Se)(H)3	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CSeC)	C(N[5]C[5]2)(CH3)(Se)	C(CN[5]Se)(H)3	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CSeC){4|H<1>}	116.5130	1.140	2	116.5130	1.299	2	116.5130	1.299	2	117.4670	1.388	76	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	5:2:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	Si[5,6]-5:N[5]-2:C-3:	C(N[5]Si[5,6]N[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](Si[5,6]N[6]2O[5]H)(N[5]C[5])(CCO)	C(N[5]Si[5,6]N[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](Si[5,6]N[6]2O[5]H)(N[5]C[5])(CCO){1|C<4>,4|C<3>}	118.0100	0.000	1	118.0100	0.000	1	118.0100	0.000	1	118.0100	0.000	1	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:2:1:1:	4:2:3:	N[5]-3:C-4:O-1:	C-3:O-2:H-1:H-1:	C[5]-4:N[5]-2:C-3:	C(N[5]C[5]N[5])(CHHO)(O)	C(CN[5]O)(OC[6a])(H)2	N[5](C[5]C[6a]O[5]H)(N[5]C[5])(CCO)	C(N[5]C[5]N[5])(CHHO)(O)	C(CN[5]O)(OC[6a])(H)2	N[5](C[5]C[6a]O[5]H)(N[5]C[5])(CCO){3|C<3>}	118.5670	0.000	1	118.5670	0.000	1	118.5670	0.000	1	118.5670	0.000	1	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:2:1:1:	4:3:3:	N[5]-3:C-4:O-1:	C-3:N-2:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CHHN)(O)	C(CN[5]O)(NC)(H)2	N[5](C[5]C[5]CC)(C[5]O[5]O)(CCO)	C(N[5]C[5]2)(CHHN)(O)	C(CN[5]O)(NC)(H)2	N[5](C[5]C[5]CC)(C[5]O[5]O)(CCO){2|H<1>}	117.7640	0.000	1	117.7640	0.000	1	117.7640	0.000	1	118.4565	2.697	4	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:2:1:1:	4:3:3:	N[5]-3:C-4:O-1:	C-3:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CHHO)(O)	C(CN[5]O)(OC[5a])(H)2	N[5](C[5]C[5]HH)(C[5]S[5]S)(CCO)	C(N[5]C[5]2)(CHHO)(O)	C(CN[5]O)(OC[5a])(H)2	N[5](C[5]C[5]HH)(C[5]S[5]S)(CCO){2|H<1>}	120.4440	0.000	1	120.4440	0.000	1	118.6873	3.726	3	118.4565	2.697	4	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:2:1:1:	4:3:3:	N[5]-3:C-4:O-1:	C-3:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CHHO)(O)	C(CN[5]O)(OC[6a])(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCO)	C(N[5]C[5]2)(CHHO)(O)	C(CN[5]O)(OC[6a])(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCO){4|H<1>}	116.6210	0.000	1	116.6210	0.000	1	118.6873	3.726	3	118.4565	2.697	4	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:2:1:1:	4:3:3:	N[5]-3:C-4:O-1:	C-3:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CHHO)(O)	C(CN[5]O)(OC[6a])(H)2	N[5](C[5]C[6a]C[5]H)(C[5]O[5]S)(CCO)	C(N[5]C[5]2)(CHHO)(O)	C(CN[5]O)(OC[6a])(H)2	N[5](C[5]C[6a]C[5]H)(C[5]O[5]S)(CCO){2|C<3>,2|H<1>}	118.9970	0.000	1	118.9970	0.000	1	118.6873	3.726	3	118.4565	2.697	4	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:2:1:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CHHO)(O)	C(CN[5]O)(OC[6a])(H)2	N[5](C[5]C[5]HH)2(CCO)	C(N[5]C[5]2)(CHHO)(O)	C(CN[5]O)(OC[6a])(H)2	N[5](C[5]C[5]HH)2(CCO){4|H<1>}	114.3090	0.000	1	114.3090	0.000	1	114.3090	0.000	1	116.4305	9.002	2	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:2:1:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:S-2:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:	C(N[5]C[5,5]C[5])(CHHS)(O)	C(CN[5]O)(SC[6a])(H)2	N[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]HO)(CCO)	C(N[5]C[5,5]C[5])(CHHS)(O)	C(CN[5]O)(SC[6a])(H)2	N[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]HO)(CCO){1|C<4>,2|H<1>,4|C<3>}	118.5520	0.000	1	118.5520	0.000	1	118.5520	0.000	1	116.4305	9.002	2	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:2:4:1:	4:3:3:	N[5]-3:C-4:O-1:	C-3:O-2:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CCHO)(O)	C(CN[5]O)(OC[6a])(CH3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)	C(N[5]C[5]2)(CCHO)(O)	C(CN[5]O)(OC[6a])(CH3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO){1|C<3>,1|H<1>}	117.5647	0.653	3	117.5647	0.426	3	117.5647	0.426	3	117.5647	0.426	3	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:3:1:1:	3:4:3:	N[5]-3:C-4:O-1:	C[6a]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-3:	C(N[5]C[5,6a]C[5])(CC[6a]HH)(O)	C(C[6a]C[6a]2)(CN[5]O)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO)	C(N[5]C[5,6a]C[5])(CC[6a]HH)(O)	C(C[6a]C[6a]2)(CN[5]O)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO){2|C<3>,3|H<1>}	116.8990	0.000	1	116.8990	0.000	1	116.8990	0.000	1	117.9990	2.420	2	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:3:1:1:	3:4:3:	N[5]-3:C-4:O-1:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-3:	C(N[5]C[5,6a]C[5])(CN[5]HH)(O)	C(N[5]C[5]2)(CN[5]O)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5]C)(CCO)	C(N[5]C[5,6a]C[5])(CN[5]HH)(O)	C(N[5]C[5]2)(CN[5]O)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5]C)(CCO){1|H<1>,4|C<3>}	119.0990	0.000	1	119.0990	0.000	1	119.0990	0.000	1	117.9990	2.420	2	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:3:1:1:	4:2:3:	N[5]-3:C-4:O-1:	N[5a]-3:C-3:H-1:H-1:	C[5]-4:N[5]-2:C-3:	C(N[5]C[5]N[5])(CN[5a]HH)(O)	C(N[5a]C[5a]N[5a])(CN[5]O)(H)2	N[5](C[5]C[5]HH)(N[5]C[5])(CCO)	C(N[5]C[5]N[5])(CN[5a]HH)(O)	C(N[5a]C[5a]N[5a])(CN[5]O)(H)2	N[5](C[5]C[5]HH)(N[5]C[5])(CCO){1|C<3>,2|H<1>}	115.0470	0.000	1	115.0470	0.000	1	115.0470	0.000	1	115.0470	0.000	1	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:3:1:1:	4:3:3:	N[5]-3:C-4:O-1:	C[6a]-3:C-3:F-1:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CC[6a]FH)(O)	C(C[6a]C[6a]2)(CN[5]O)(F)(H)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCO)	C(N[5]C[5]2)(CC[6a]FH)(O)	C(C[6a]C[6a]2)(CN[5]O)(F)(H)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCO){2|C<3>,2|H<1>}	118.3030	0.000	1	118.3030	0.000	1	118.3030	0.000	1	116.8274	1.413	5	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:3:1:1:	4:3:3:	N[5]-3:C-4:O-1:	C[6a]-3:C-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-3:	C(N[5]C[5,5]C[5])(CC[6a]HH)(O)	C(C[6a]C[6a]2)(CN[5]O)(H)2	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]S)(CCO)	C(N[5]C[5,5]C[5])(CC[6a]HH)(O)	C(C[6a]C[6a]2)(CN[5]O)(H)2	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]S)(CCO){1|N<3>,2|C<3>,2|C<4>}	116.5700	0.000	1	116.5700	0.000	1	116.5700	0.000	1	116.8274	1.413	5	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:3:1:1:	4:3:3:	N[5]-3:C-4:O-1:	C[6a]-3:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CC[6a]HH)(O)	C(C[6a]C[6a]2)(CN[5]O)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]H)(CCO)	C(N[5]C[5]2)(CC[6a]HH)(O)	C(C[6a]C[6a]2)(CN[5]O)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]H)(CCO){1|C<4>,2|H<1>}	117.2740	0.000	1	117.2740	0.000	1	117.2740	0.000	1	116.8274	1.413	5	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:3:1:1:	4:3:3:	N[5]-3:C-4:O-1:	C[6a]-3:C-3:H-1:H-1:	S[5]-4:N[5]-3:C-3:	C(N[5]N[5]S[5])(CC[6a]HH)(O)	C(C[6a]C[6a]2)(CN[5]O)(H)2	N[5](S[5]C[5]OO)(N[5]C[5]H)(CCO)	C(N[5]N[5]S[5])(CC[6a]HH)(O)	C(C[6a]C[6a]2)(CN[5]O)(H)2	N[5](S[5]C[5]OO)(N[5]C[5]H)(CCO){1|C<4>,3|H<1>}	115.0400	0.000	1	115.0400	0.000	1	115.0400	0.000	1	116.8274	1.413	5	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:3:1:1:	4:3:3:	N[5]-3:C-4:O-1:	N[5]-3:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CN[5]HH)(O)	C(N[5]C[5]2)(CN[5]O)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCO)	C(N[5]C[5]2)(CN[5]HH)(O)	C(N[5]C[5]2)(CN[5]O)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCO){4|H<1>}	116.9500	0.000	1	116.9500	0.000	1	116.9500	0.000	1	116.8274	1.413	5	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:3:1:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:N-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CHHN)(O)	C(CN[5]O)(NCH)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	C(N[5]C[5]2)(CHHN)(O)	C(CN[5]O)(NCH)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){4|H<1>}	116.5662	1.693	4	116.5662	2.865	4	116.5662	2.865	4	116.9982	1.971	12	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:3:1:1:	4:4:3:	N[5]-3:C-4:O-1:	C[6a]-3:C-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:	C(N[5]C[5,5]C[5])(CC[6a]HH)(O)	C(C[6a]C[6a]2)(CN[5]O)(H)2	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CCO)	C(N[5]C[5,5]C[5])(CC[6a]HH)(O)	C(C[6a]C[6a]2)(CN[5]O)(H)2	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CCO){1|C<3>,2|C<4>,7|H<1>}	117.2850	0.000	1	117.7030	0.349	2	117.7030	0.349	2	116.9982	1.971	12	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:3:1:1:	4:4:3:	N[5]-3:C-4:O-1:	C[6a]-3:C-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:	C(N[5]C[5,5]C[5])(CC[6a]HH)(O)	C(C[6a]C[6a]2)(CN[5]O)(H)2	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CCO)	C(N[5]C[5,5]C[5])(CC[6a]HH)(O)	C(C[6a]C[6a]2)(CN[5]O)(H)2	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CCO){1|C<4>,2|C<3>,7|H<1>}	118.1210	0.000	1	117.7030	0.349	2	117.7030	0.349	2	116.9982	1.971	12	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:3:1:1:	4:4:3:	N[5]-3:C-4:O-1:	C[6a]-3:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CC[6a]HH)(O)	C(C[6a]C[6a]2)(CN[5]O)(H)2	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CCO)	C(N[5]C[5]2)(CC[6a]HH)(O)	C(C[6a]C[6a]2)(CN[5]O)(H)2	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CCO){1|C<3>,1|C<4>,4|H<1>}	115.7560	0.000	1	115.7560	0.000	1	117.7257	2.986	3	116.9982	1.971	12	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:3:1:1:	4:4:3:	N[5]-3:C-4:O-1:	C[6a]-3:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CC[6a]HH)(O)	C(C[6a]C[6a]2)(CN[5]O)(H)2	N[5](C[5]C[5]HH)2(CCO)	C(N[5]C[5]2)(CC[6a]HH)(O)	C(C[6a]C[6a]2)(CN[5]O)(H)2	N[5](C[5]C[5]HH)2(CCO){4|H<1>}	118.4340	0.000	1	118.4340	0.000	1	117.7257	2.986	3	116.9982	1.971	12	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:3:1:1:	4:4:3:	N[5]-3:C-4:O-1:	C[6a]-3:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CC[6a]HH)(O)	C(C[6a]C[6a]2)(CN[5]O)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]C)(CCO)	C(N[5]C[5]2)(CC[6a]HH)(O)	C(C[6a]C[6a]2)(CN[5]O)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]C)(CCO){2|H<1>,4|C<3>}	118.9870	0.000	1	118.9870	0.000	1	117.7257	2.986	3	116.9982	1.971	12	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:3:1:1:	4:4:3:	N[5]-3:C-4:O-1:	N-3:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CHHN)(O)	C(NC[3x6]H)(CN[5]O)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	C(N[5]C[5]2)(CHHN)(O)	C(NC[3x6]H)(CN[5]O)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){4|H<1>}	115.8310	0.000	1	115.8310	0.000	1	115.8310	0.000	1	116.9982	1.971	12	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:3:1:1:	4:4:3:	N[5]-3:C-4:O-1:	N[6]-3:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CN[6]HH)(O)	C(N[6]C[6]2)(CN[5]O)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]CH)(CCO)	C(N[5]C[5]2)(CN[6]HH)(O)	C(N[6]C[6]2)(CN[5]O)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]CH)(CCO){1|C<4>,2|H<1>}	117.6060	0.000	1	117.6060	0.000	1	117.6060	0.000	1	116.9982	1.971	12	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:3:1:1:	4:4:3:	N[5]-3:C-4:O-1:	S-3:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CHHS)(O)	C(SC[6a]O)(CN[5]O)(H)2	N[5](C[5]C[5]HH)2(CCO)	C(N[5]C[5]2)(CHHS)(O)	C(SC[6a]O)(CN[5]O)(H)2	N[5](C[5]C[5]HH)2(CCO){4|H<1>}	115.6940	0.000	1	115.6940	0.000	1	115.6940	0.000	1	116.9982	1.971	12	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:3:2:1:	3:4:3:	N[5]-3:C-4:O-1:	C[6]-3:C-3:C-2:H-1:	C[5,6a]-3:C[5]-4:C-3:	C(N[5]C[5,6a]C[5])(CC[6]CH)(O)	C(C[6]C[6]2)(CN[5]O)(CN)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO)	C(N[5]C[5,6a]C[5])(CC[6]CH)(O)	C(C[6]C[6]2)(CN[5]O)(CN)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO){2|H<1>,3|C<3>}	112.3360	0.000	1	112.3360	0.000	1	112.3360	0.000	1	112.3360	0.000	1	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:3:2:1:	4:3:3:	N[5]-3:C-4:O-1:	C[6a]-3:C-3:O-2:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CC[6a]HO)(O)	C(C[6a]C[6a]2)(CN[5]O)(OC)(H)	N[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CCO)	C(N[5]C[5]2)(CC[6a]HO)(O)	C(C[6a]C[6a]2)(CN[5]O)(OC)(H)	N[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CCO){1|H<1>,2|C<4>}	117.2910	0.000	1	117.2910	0.000	1	118.9295	5.369	2	118.9295	5.369	2	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:3:2:1:	4:3:3:	N[5]-3:C-4:O-1:	C[6a]-3:C-3:O-2:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CC[6a]HO)(O)	C(C[6a]C[6a]2)(CN[5]O)(OC)(H)	N[5](C[5]C[5a]C[5]H)(C[5]C[5]N)(CCO)	C(N[5]C[5]2)(CC[6a]HO)(O)	C(C[6a]C[6a]2)(CN[5]O)(OC)(H)	N[5](C[5]C[5a]C[5]H)(C[5]C[5]N)(CCO){2|C<3>,2|H<1>,2|O<2>}	120.5680	0.000	1	120.5680	0.000	1	118.9295	5.369	2	118.9295	5.369	2	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:3:2:4:	4:4:3:	N[5]-3:C-4:O-1:	C[6a]-3:C-3:S-2:C-4:	C[5,5,6]-4:S[5]-4:C-3:	C(N[5]C[5,5,6]S[5])(CC[6a]CS)(O)	C(C[6a]C[6a]2)(CN[5]O)(SC[6a])(CCHH)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO)	C(N[5]C[5,5,6]S[5])(CC[6a]CS)(O)	C(C[6a]C[6a]2)(CN[5]O)(SC[6a])(CCHH)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO){3|C<4>,4|H<1>}	120.3500	0.000	1	120.3500	0.000	1	120.3500	0.000	1	120.3500	0.000	1	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:3:3:1:	3:3:3:	N[5]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:H-1:	C[5,6a]-3:C[5]-3:C-3:	C(N[5]C[5,6a]C[5])(CC[6a]2H)(O)	C(C[6a]C[6a]2)2(CN[5]O)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO)	C(N[5]C[5,6a]C[5])(CC[6a]2H)(O)	C(C[6a]C[6a]2)2(CN[5]O)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO){1|C<4>,1|H<1>,3|C<3>}	116.0355	0.153	2	116.0355	0.024	2	116.0355	0.024	2	116.0355	0.024	2	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:3:3:1:	4:3:3:	N[5]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CC[6a]2H)(O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CN[5]O)(H)	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CCO)	C(N[5]C[5]2)(CC[6a]2H)(O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CN[5]O)(H)	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CCO){1|H<1>,2|C<3>,2|C<4>}	118.3520	0.000	1	118.3520	0.000	1	118.6113	0.356	3	118.6113	0.356	3	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:3:3:1:	4:3:3:	N[5]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CC[6a]2H)(O)	C(C[6a]C[6a]2)2(CN[5]O)(H)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCO)	C(N[5]C[5]2)(CC[6a]2H)(O)	C(C[6a]C[6a]2)2(CN[5]O)(H)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCO){2|H<1>}	118.7410	0.782	2	118.7410	0.612	2	118.6113	0.356	3	118.6113	0.356	3	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:3:3:3:	4:4:3:	N[5]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CC[6a]3)(O)	C(C[6a]C[6a]2)3(CN[5]O)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	C(N[5]C[5]2)(CC[6a]3)(O)	C(C[6a]C[6a]2)3(CN[5]O)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){4|H<1>}	119.1996	0.738	5	119.1996	0.545	5	119.1996	0.545	5	119.1996	0.545	5	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:3:4:1:	3:3:3:	N[5]-3:C-4:O-1:	C[6a]-3:C-3:C-4:H-1:	C[5]-3:N[5]-3:C-3:	C(N[5]C[5]N[5])(CC[6a]CH)(O)	C(C[6a]C[6a]2)(CN[5]O)(CH3)(H)	N[5](C[5]C[5]O)(N[5]C[5]H)(CCO)	C(N[5]C[5]N[5])(CC[6a]CH)(O)	C(C[6a]C[6a]2)(CN[5]O)(CH3)(H)	N[5](C[5]C[5]O)(N[5]C[5]H)(CCO){1|C<3>,3|H<1>}	117.3030	0.000	1	117.1748	3.160	5	117.1748	3.160	5	117.1748	3.160	5	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:3:4:1:	3:3:3:	N[5]-3:C-4:O-1:	C[6a]-3:C-3:C-4:H-1:	C[5]-3:N[5]-3:C-3:	C(N[5]C[5]N[5])(CC[6a]CH)(O)	C(C[6a]C[6a]2)(CN[5]O)(CH3)(H)	N[5](C[5]C[5]O)(N[5]C[5]H)(CCO)	C(N[5]C[5]N[5])(CC[6a]CH)(O)	C(C[6a]C[6a]2)(CN[5]O)(CH3)(H)	N[5](C[5]C[5]O)(N[5]C[5]H)(CCO){1|C<4>,3|H<1>}	117.5610	2.293	3	117.1748	3.160	5	117.1748	3.160	5	117.1748	3.160	5	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:3:4:1:	3:3:3:	N[5]-3:C-4:O-1:	C[6a]-3:C-3:C-4:H-1:	C[5]-3:N[5]-3:C-3:	C(N[5]C[5]N[5])(CC[6a]CH)(O)	C(C[6a]C[6a]2)(CN[5]O)(CH3)(H)	N[5](C[5]C[5]O)(N[5]C[5]H)(CCO)	C(N[5]C[5]N[5])(CC[6a]CH)(O)	C(C[6a]C[6a]2)(CN[5]O)(CH3)(H)	N[5](C[5]C[5]O)(N[5]C[5]H)(CCO){2|C<4>,2|H<1>}	115.8880	0.000	1	117.1748	3.160	5	117.1748	3.160	5	117.1748	3.160	5	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:3:4:1:	4:3:3:	N[5]-3:C-4:O-1:	C[6a]-3:C-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CC[6a]CH)(O)	C(C[6a]C[6a,6a]C[6a])(CN[5]O)(CCHH)(H)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCO)	C(N[5]C[5]2)(CC[6a]CH)(O)	C(C[6a]C[6a,6a]C[6a])(CN[5]O)(CCHH)(H)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCO){2|H<1>}	119.3850	0.000	1	119.3850	0.000	1	118.7136	1.375	12	118.7515	1.279	13	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:3:4:1:	4:3:3:	N[5]-3:C-4:O-1:	C[6a]-3:C-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CC[6a]CH)(O)	C(C[6a]C[6a]2)(CN[5]O)(CCCH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)	C(N[5]C[5]2)(CC[6a]CH)(O)	C(C[6a]C[6a]2)(CN[5]O)(CCCH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO){2|H<1>}	119.8320	0.000	1	119.8320	0.000	1	118.7136	1.375	12	118.7515	1.279	13	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:3:4:1:	4:3:3:	N[5]-3:C-4:O-1:	C[6a]-3:C-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CC[6a]CH)(O)	C(C[6a]C[6a]2)(CN[5]O)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)	C(N[5]C[5]2)(CC[6a]CH)(O)	C(C[6a]C[6a]2)(CN[5]O)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO){1|C<3>,1|H<1>}	118.4617	1.424	4	118.3467	1.275	6	118.7136	1.375	12	118.7515	1.279	13	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:3:4:1:	4:3:3:	N[5]-3:C-4:O-1:	C[6a]-3:C-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CC[6a]CH)(O)	C(C[6a]C[6a]2)(CN[5]O)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)	C(N[5]C[5]2)(CC[6a]CH)(O)	C(C[6a]C[6a]2)(CN[5]O)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO){2|C<4>}	118.3740	0.000	1	118.3467	1.275	6	118.7136	1.375	12	118.7515	1.279	13	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:3:4:1:	4:3:3:	N[5]-3:C-4:O-1:	C[6a]-3:C-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CC[6a]CH)(O)	C(C[6a]C[6a]2)(CN[5]O)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)	C(N[5]C[5]2)(CC[6a]CH)(O)	C(C[6a]C[6a]2)(CN[5]O)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO){2|H<1>}	117.8590	0.000	1	118.3467	1.275	6	118.7136	1.375	12	118.7515	1.279	13	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:3:4:1:	4:3:3:	N[5]-3:C-4:O-1:	C[6a]-3:C-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CC[6a]CH)(O)	C(C[6a]C[6a]2)(CN[5]O)(CH3)(H)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCO)	C(N[5]C[5]2)(CC[6a]CH)(O)	C(C[6a]C[6a]2)(CN[5]O)(CH3)(H)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCO){2|C<3>,2|H<1>}	117.5920	0.000	1	117.5920	0.000	1	118.7136	1.375	12	118.7515	1.279	13	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:3:4:1:	4:3:3:	N[5]-3:C-4:O-1:	C[6a]-3:C-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CC[6a]CH)(O)	C(C[6a]C[6a]2)(CN[5]O)(CHHN)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)	C(N[5]C[5]2)(CC[6a]CH)(O)	C(C[6a]C[6a]2)(CN[5]O)(CHHN)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO){2|C<4>}	118.5970	0.000	1	118.5970	0.000	1	118.7136	1.375	12	118.7515	1.279	13	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:3:4:1:	4:3:3:	N[5]-3:C-4:O-1:	C[6a]-3:C-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CC[6a]CH)(O)	C(C[6a]C[6a]2)(CN[5]O)(CHOO)(H)	N[5](C[5]C[5]HH)(C[5]S[5]S)(CCO)	C(N[5]C[5]2)(CC[6a]CH)(O)	C(C[6a]C[6a]2)(CN[5]O)(CHOO)(H)	N[5](C[5]C[5]HH)(C[5]S[5]S)(CCO){2|H<1>}	120.8820	0.000	1	120.8820	0.000	1	118.7136	1.375	12	118.7515	1.279	13	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:3:4:1:	4:3:3:	N[5]-3:C-4:O-1:	C[6a]-3:C-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CC[6a]CH)(O)	C(C[6a]C[6a]N[6a])(CN[5]O)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)	C(N[5]C[5]2)(CC[6a]CH)(O)	C(C[6a]C[6a]N[6a])(CN[5]O)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO){2|H<1>}	118.1950	0.000	1	118.1950	0.000	1	118.7136	1.375	12	118.7515	1.279	13	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:3:4:1:	4:3:3:	N[5]-3:C-4:O-1:	N[5]-3:C-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CN[5]CH)(O)	C(N[5]C[5]2)(CN[5]O)(CCCH)(H)	N[5](C[5]C[5]CH)(C[5]S[5]S)(CCO)	C(N[5]C[5]2)(CN[5]CH)(O)	C(N[5]C[5]2)(CN[5]O)(CCCH)(H)	N[5](C[5]C[5]CH)(C[5]S[5]S)(CCO){2|H<1>}	119.2070	0.000	1	119.2070	0.000	1	119.2070	0.000	1	118.7515	1.279	13	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:3:4:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:C-3:C-4:H-1:	C[5,5,6]-4:S[5]-4:C-3:	C(N[5]C[5,5,6]S[5])(CCCH)(O)	C(CC[6a]O)(CN[5]O)(CH3)(H)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO)	C(N[5]C[5,5,6]S[5])(CCCH)(O)	C(CC[6a]O)(CN[5]O)(CH3)(H)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO){3|C<4>,4|H<1>}	117.8270	0.000	1	117.8270	0.000	1	117.8270	0.000	1	118.5063	0.401	3	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:3:4:1:	4:4:3:	N[5]-3:C-4:O-1:	C[6a]-3:C-3:C-4:H-1:	C[5,5,6]-4:S[5]-4:C-3:	C(N[5]C[5,5,6]S[5])(CC[6a]CH)(O)	C(C[6a]C[6a]2)(CN[5]O)(CH3)(H)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO)	C(N[5]C[5,5,6]S[5])(CC[6a]CH)(O)	C(C[6a]C[6a]2)(CN[5]O)(CH3)(H)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO){3|C<4>,4|H<1>}	118.6110	0.000	1	118.8460	0.110	2	118.8460	0.110	2	118.5063	0.401	3	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:3:4:1:	4:4:3:	N[5]-3:C-4:O-1:	C[6a]-3:C-3:C-4:H-1:	C[5,5,6]-4:S[5]-4:C-3:	C(N[5]C[5,5,6]S[5])(CC[6a]CH)(O)	C(C[6a]C[6a]2)(CN[5]O)(CH3)(H)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO)	C(N[5]C[5,5,6]S[5])(CC[6a]CH)(O)	C(C[6a]C[6a]2)(CN[5]O)(CH3)(H)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO){3|H<1>,4|C<4>}	119.0810	0.000	1	118.8460	0.110	2	118.8460	0.110	2	118.5063	0.401	3	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:3:4:4:	4:3:3:	N[5]-3:C-4:O-1:	C-3:C-3:C-4:C-4:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CC3)(O)	C(CN[5]O)2(CH3)2	N[5](C[5]C[5]CC)(C[5]C[5]O)(CCO)	C(N[5]C[5]2)(CC3)(O)	C(CN[5]O)2(CH3)2	N[5](C[5]C[5]CC)(C[5]C[5]O)(CCO){2|H<1>}	120.3740	0.354	2	120.3740	0.125	2	120.3740	0.125	2	120.6133	0.234	3	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:3:4:4:	4:3:3:	N[5]-3:C-4:O-1:	C[6a]-3:C-3:C-4:C-4:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CC[6a]CC)(O)	C(C[6a]C[6a]2)(CN[5]O)(CCHH)(CH3)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)	C(N[5]C[5]2)(CC[6a]CC)(O)	C(C[6a]C[6a]2)(CN[5]O)(CCHH)(CH3)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO){2|H<1>}	121.0920	0.000	1	121.0920	0.000	1	121.0920	0.000	1	120.6133	0.234	3	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:3:4:4:	4:4:3:	N[5]-3:C-4:O-1:	C[6a]-3:C-3:C-4:C-4:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CC[6a]CC)(O)	C(C[6a]C[6a]2)(CN[5]O)(CH3)2	N[5](C[5]C[5]HH)2(CCO)	C(N[5]C[5]2)(CC[6a]CC)(O)	C(C[6a]C[6a]2)(CN[5]O)(CH3)2	N[5](C[5]C[5]HH)2(CCO){4|H<1>}	120.9517	0.414	3	120.9517	0.171	3	120.9517	0.171	3	120.9517	0.171	3	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:1:1:	3:2:3:	N[5]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-3:	C(N[5]C[5]N[5])(CCHH)(O)	C(CN[5]O)(CCHH)(H)2	N[5](C[5]S[5]S)(N[5]C[5])(CCO)	C(N[5]C[5]N[5])(CCHH)(O)	C(CN[5]O)(CCHH)(H)2	N[5](C[5]S[5]S)(N[5]C[5])(CCO){1|C<4>}	115.3585	0.829	2	115.3585	0.688	2	115.3585	0.688	2	116.1710	2.324	3	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:1:1:	3:2:3:	N[5]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[5]-3:Se[5]-2:C-3:	C(N[5]Se[5]C[5])(CCHH)(O)	C(CN[5]O)(CH3)(H)2	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CCO)	C(N[5]Se[5]C[5])(CCHH)(O)	C(CN[5]O)(CH3)(H)2	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CCO){2|C<3>}	117.7960	0.000	1	117.7960	0.000	1	117.7960	0.000	1	116.1710	2.324	3	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:1:1:	3:3:3:	N[5]-3:C-4:H-1:	C-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C(N[5]C[5]2)(CCHH)(H)	C(CN[5]H)(CCHH)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCH)	C(N[5]C[5]2)(CCHH)(H)	C(CN[5]H)(CCHH)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCH){1|C<4>,1|H<1>}	117.3190	0.000	1	117.3190	0.000	1	114.5440	15.401	2	115.5790	10.914	3	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:1:1:	3:3:3:	N[5]-3:C-4:H-1:	C-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C(N[5]C[5]2)(CCHH)(H)	C(CN[5]H)(CCHH)(H)2	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCH)	C(N[5]C[5]2)(CCHH)(H)	C(CN[5]H)(CCHH)(H)2	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCH){1|C<4>,1|H<1>}	111.7690	0.000	1	111.7690	0.000	1	114.5440	15.401	2	115.5790	10.914	3	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:1:1:	3:3:3:	N[5]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C(N[5]C[5]2)(CCHH)(O)	C(CN[5]O)(CCHH)(H)2	N[5](C[5]C[5,5a]O)2(CCO)	C(N[5]C[5]2)(CCHH)(O)	C(CN[5]O)(CCHH)(H)2	N[5](C[5]C[5,5a]O)2(CCO){2|C<3>}	117.6490	0.000	1	117.6490	0.000	1	117.6490	0.000	1	115.5790	10.914	3	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:1:1:	3:4:3:	N[5]-3:C-4:O-1:	C-3:C-4:F-1:H-1:	C[5,6a]-3:C[5]-4:C-3:	C(N[5]C[5,6a]C[5])(CCFH)(O)	C(CN[5]O)(CF3)(F)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CCO)	C(N[5]C[5,6a]C[5])(CCFH)(O)	C(CN[5]O)(CF3)(F)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CCO){2|C<3>,2|H<1>}	118.3440	0.074	2	118.3440	0.005	2	118.3440	0.005	2	118.7808	1.603	6	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:1:1:	3:4:3:	N[5]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-3:	C(N[5]C[5,6a]C[5])(CCHH)(O)	C(CN[5]O)(CCCH)(H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CCO)	C(N[5]C[5,6a]C[5])(CCHH)(O)	C(CN[5]O)(CCCH)(H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CCO){2|C<3>,2|H<1>}	119.6095	2.112	2	119.6095	4.461	2	118.9993	2.479	4	118.7808	1.603	6	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:1:1:	3:4:3:	N[5]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-3:	C(N[5]C[5,6a]C[5])(CCHH)(O)	C(CN[5]O)(CF3)(H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CCO)	C(N[5]C[5,6a]C[5])(CCHH)(O)	C(CN[5]O)(CF3)(H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CCO){2|C<3>,2|H<1>}	117.5270	0.000	1	117.5270	0.000	1	118.9993	2.479	4	118.7808	1.603	6	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:1:1:	3:4:3:	N[5]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-3:	C(N[5]C[5,6a]C[5])(CCHH)(O)	C(CN[5]O)(CH3)(H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CCO)	C(N[5]C[5,6a]C[5])(CCHH)(O)	C(CN[5]O)(CH3)(H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CCO){2|C<3>,2|H<1>}	119.2510	0.000	1	119.2510	0.000	1	118.9993	2.479	4	118.7808	1.603	6	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:1:1:	4:2:3:	N[5]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[5]-4:N[5]-2:C-3:	C(N[5]C[5]N[5])(CCHH)(O)	C(CN[5]O)(CCHH)(H)2	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CCO)	C(N[5]C[5]N[5])(CCHH)(O)	C(CN[5]O)(CCHH)(H)2	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CCO){2|H<1>,3|C<3>}	116.5263	0.188	3	116.5263	0.035	3	116.3420	0.086	5	116.3420	0.086	5	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:1:1:	4:2:3:	N[5]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[5]-4:N[5]-2:C-3:	C(N[5]C[5]N[5])(CCHH)(O)	C(CN[5]O)(CH3)(H)2	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CCO)	C(N[5]C[5]N[5])(CCHH)(O)	C(CN[5]O)(CH3)(H)2	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CCO){2|H<1>,3|C<3>}	116.0655	0.132	2	116.0655	0.017	2	116.3420	0.086	5	116.3420	0.086	5	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:1:1:	4:3:3:	N[5]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[5,5,6]-4:C[5]-3:C-3:	C(N[5]C[5,5,6]C[5])(CCHH)(O)	C(CN[5]O)(CH3)(H)2	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5]S)(CCO)	C(N[5]C[5,5,6]C[5])(CCHH)(O)	C(CN[5]O)(CH3)(H)2	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5]S)(CCO){3|H<1>,4|C<4>}	119.9150	0.000	1	119.9150	0.000	1	119.9150	0.000	1	119.1162	1.384	13	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:1:1:	4:3:3:	N[5]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CCHH)(O)	C(CN[5]O)(CCCH)(H)2	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)	C(N[5]C[5]2)(CCHH)(O)	C(CN[5]O)(CCCH)(H)2	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO){2|H<1>}	119.7210	0.000	1	119.7210	0.000	1	119.1502	1.458	11	119.1162	1.384	13	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:1:1:	4:3:3:	N[5]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CCHH)(O)	C(CN[5]O)(CCCH)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCO)	C(N[5]C[5]2)(CCHH)(O)	C(CN[5]O)(CCCH)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCO){2|H<1>}	118.1850	0.000	1	118.1850	0.000	1	119.1502	1.458	11	119.1162	1.384	13	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:1:1:	4:3:3:	N[5]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CCHH)(O)	C(CN[5]O)(CCCH)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CCO)	C(N[5]C[5]2)(CCHH)(O)	C(CN[5]O)(CCCH)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CCO){1|H<1>,2|C<3>,2|C<4>}	119.2015	0.924	2	119.2015	0.854	2	119.1502	1.458	11	119.1162	1.384	13	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:1:1:	4:3:3:	N[5]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CCHH)(O)	C(CN[5]O)(CCHH)(H)2	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)	C(N[5]C[5]2)(CCHH)(O)	C(CN[5]O)(CCHH)(H)2	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO){2|C<3>}	117.9670	0.000	1	118.2670	0.180	2	119.1502	1.458	11	119.1162	1.384	13	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:1:1:	4:3:3:	N[5]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CCHH)(O)	C(CN[5]O)(CCHH)(H)2	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)	C(N[5]C[5]2)(CCHH)(O)	C(CN[5]O)(CCHH)(H)2	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO){2|H<1>}	118.5670	0.000	1	118.2670	0.180	2	119.1502	1.458	11	119.1162	1.384	13	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:1:1:	4:3:3:	N[5]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CCHH)(O)	C(CN[5]O)(CCHH)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCO)	C(N[5]C[5]2)(CCHH)(O)	C(CN[5]O)(CCHH)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCO){2|C<3>,2|H<1>}	118.4307	0.333	3	118.4307	0.111	3	119.1502	1.458	11	119.1162	1.384	13	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:1:1:	4:3:3:	N[5]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CCHH)(O)	C(CN[5]O)(CCHO)(H)2	N[5](C[5]C[5]CH)(C[5]S[5]S)(CCO)	C(N[5]C[5]2)(CCHH)(O)	C(CN[5]O)(CCHO)(H)2	N[5](C[5]C[5]CH)(C[5]S[5]S)(CCO){2|H<1>}	121.4300	0.000	1	121.4300	0.000	1	119.1502	1.458	11	119.1162	1.384	13	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:1:1:	4:3:3:	N[5]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CCHH)(O)	C(CN[5]O)(CH3)(H)2	N[5](C[5]C[5]CH)(C[5]S[5]S)(CCO)	C(N[5]C[5]2)(CCHH)(O)	C(CN[5]O)(CH3)(H)2	N[5](C[5]C[5]CH)(C[5]S[5]S)(CCO){2|H<1>}	121.0870	0.000	1	121.0870	0.000	1	119.1502	1.458	11	119.1162	1.384	13	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:1:1:	4:3:3:	N[5]-3:C-4:O-1:	C-3:P-4:H-1:H-1:	C[5,5]-4:C[5]-3:C-3:	C(N[5]C[5,5]C[5])(CHHP)(O)	C(CN[5]O)(PO3)(H)2	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(CCO)	C(N[5]C[5,5]C[5])(CHHP)(O)	C(CN[5]O)(PO3)(H)2	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(CCO){1|C<4>,1|S<2>,4|H<1>}	117.9430	0.000	1	117.9430	0.000	1	117.9430	0.000	1	119.1162	1.384	13	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:1:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:C-4:Br-1:H-1:	C[5,5,6]-4:S[5]-4:C-3:	C(N[5]C[5,5,6]S[5])(CBrCH)(O)	C(CN[5]O)(CCHH)(Br)(H)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO)	C(N[5]C[5,5,6]S[5])(CBrCH)(O)	C(CN[5]O)(CCHH)(Br)(H)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO){3|C<4>,4|H<1>}	119.2340	0.000	1	119.2340	0.000	1	119.2340	0.000	1	119.0040	2.422	42	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:1:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:C-4:Br-1:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CBrCH)(O)	C(CN[5]O)(CH3)(Br)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	C(N[5]C[5]2)(CBrCH)(O)	C(CN[5]O)(CH3)(Br)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){4|H<1>}	118.3160	0.000	1	118.3160	0.000	1	118.3160	0.000	1	119.0040	2.422	42	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:1:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[5,5,6]-4:S[5]-4:C-3:	C(N[5]C[5,5,6]S[5])(CCHH)(O)	C(CN[5]O)(CCCH)(H)2	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO)	C(N[5]C[5,5,6]S[5])(CCHH)(O)	C(CN[5]O)(CCCH)(H)2	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO){3|C<4>,4|H<1>}	117.7740	0.000	1	117.7740	0.000	1	117.1535	0.770	2	119.0040	2.422	42	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:1:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[5,5,6]-4:S[5]-4:C-3:	C(N[5]C[5,5,6]S[5])(CCHH)(O)	C(CN[5]O)(CHHN)(H)2	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO)	C(N[5]C[5,5,6]S[5])(CCHH)(O)	C(CN[5]O)(CHHN)(H)2	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO){3|C<4>,4|H<1>}	116.5330	0.000	1	116.5330	0.000	1	117.1535	0.770	2	119.0040	2.422	42	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:1:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:	C(N[5]C[5,5]C[5])(CCHH)(O)	C(CN[5]O)(CCHH)(H)2	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]CH)(CCO)	C(N[5]C[5,5]C[5])(CCHH)(O)	C(CN[5]O)(CCHH)(H)2	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]CH)(CCO){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	119.1510	0.682	4	119.1510	0.466	4	118.9326	0.588	5	119.0040	2.422	42	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:1:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:	C(N[5]C[5,5]C[5])(CCHH)(O)	C(CN[5]O)(CCHH)(H)2	N[5](C[5,5]C[5]3)(C[5]C[5]CH)(CCO)	C(N[5]C[5,5]C[5])(CCHH)(O)	C(CN[5]O)(CCHH)(H)2	N[5](C[5,5]C[5]3)(C[5]C[5]CH)(CCO){1|C<4>,2|C<3>,6|H<1>}	118.0590	0.000	1	118.0590	0.000	1	118.9326	0.588	5	119.0040	2.422	42	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:1:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C(N[5]C[5,6]C[5])(CCHH)(O)	C(CN[5]O)(CCHH)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCO)	C(N[5]C[5,6]C[5])(CCHH)(O)	C(CN[5]O)(CCHH)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCO){1|C<3>,2|C<4>,4|H<1>}	117.7910	0.000	1	118.5834	0.941	5	120.0006	1.398	18	119.0040	2.422	42	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:1:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C(N[5]C[5,6]C[5])(CCHH)(O)	C(CN[5]O)(CCHH)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCO)	C(N[5]C[5,6]C[5])(CCHH)(O)	C(CN[5]O)(CCHH)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCO){3|C<4>,4|H<1>}	118.7815	0.996	4	118.5834	0.941	5	120.0006	1.398	18	119.0040	2.422	42	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:1:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C(N[5]C[5,6]C[5])(CCHH)(O)	C(CN[5]O)(CCHH)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CCO)	C(N[5]C[5,6]C[5])(CCHH)(O)	C(CN[5]O)(CCHH)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CCO){3|C<4>,7|H<1>}	120.5457	0.713	13	120.5457	0.509	13	120.0006	1.398	18	119.0040	2.422	42	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:1:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CCHH)(O)	C(CN[5]O)(CCCH)(H)2	N[5](C[5]C[5,6]HH)2(CCO)	C(N[5]C[5]2)(CCHH)(O)	C(CN[5]O)(CCCH)(H)2	N[5](C[5]C[5,6]HH)2(CCO){2|C<4>,2|H<1>}	116.9920	0.000	1	116.9920	0.000	1	118.5203	2.122	12	119.0040	2.422	42	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:1:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CCHH)(O)	C(CN[5]O)(CCHH)(H)2	N[5](C[5]C[5,5]HH)2(CCO)	C(N[5]C[5]2)(CCHH)(O)	C(CN[5]O)(CCHH)(H)2	N[5](C[5]C[5,5]HH)2(CCO){1|C<3>,1|O<2>,2|H<1>}	116.9080	0.000	1	116.9080	0.000	1	118.5203	2.122	12	119.0040	2.422	42	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:1:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CCHH)(O)	C(CN[5]O)(CCHH)(H)2	N[5](C[5]C[5]CC)(C[5]C[5]CH)(CCO)	C(N[5]C[5]2)(CCHH)(O)	C(CN[5]O)(CCHH)(H)2	N[5](C[5]C[5]CC)(C[5]C[5]CH)(CCO){4|H<1>}	120.6320	0.000	1	120.6320	0.000	1	118.5203	2.122	12	119.0040	2.422	42	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:1:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CCHH)(O)	C(CN[5]O)(CCHH)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	C(N[5]C[5]2)(CCHH)(O)	C(CN[5]O)(CCHH)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){1|H<1>,1|O<2>,2|C<4>}	118.5990	0.000	1	119.4128	1.801	4	118.5203	2.122	12	119.0040	2.422	42	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:1:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CCHH)(O)	C(CN[5]O)(CCHH)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	C(N[5]C[5]2)(CCHH)(O)	C(CN[5]O)(CCHH)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){1|O<2>,3|H<1>}	117.9480	0.000	1	119.4128	1.801	4	118.5203	2.122	12	119.0040	2.422	42	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:1:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CCHH)(O)	C(CN[5]O)(CCHH)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	C(N[5]C[5]2)(CCHH)(O)	C(CN[5]O)(CCHH)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){4|H<1>}	120.5520	0.011	2	119.4128	1.801	4	118.5203	2.122	12	119.0040	2.422	42	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:1:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CCHH)(O)	C(CN[5]O)(CCHH)(H)2	N[5](C[5]C[5]CH)2(CCO)	C(N[5]C[5]2)(CCHH)(O)	C(CN[5]O)(CCHH)(H)2	N[5](C[5]C[5]CH)2(CCO){1|O<2>,3|H<1>}	117.7380	0.000	1	117.7380	0.000	1	118.5203	2.122	12	119.0040	2.422	42	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:1:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CCHH)(O)	C(CN[5]O)(CCHH)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CCO)	C(N[5]C[5]2)(CCHH)(O)	C(CN[5]O)(CCHH)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CCO){2|C<3>,4|H<1>}	118.0560	1.590	2	118.0560	2.527	2	118.5203	2.122	12	119.0040	2.422	42	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:1:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CCHH)(O)	C(CN[5]O)(CCHN)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	C(N[5]C[5]2)(CCHH)(O)	C(CN[5]O)(CCHN)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){4|H<1>}	117.2550	0.000	1	117.2550	0.000	1	118.5203	2.122	12	119.0040	2.422	42	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:1:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CCHH)(O)	C(CN[5]O)(CCHO)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	C(N[5]C[5]2)(CCHH)(O)	C(CN[5]O)(CCHO)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){4|H<1>}	118.9560	0.000	1	118.9560	0.000	1	118.5203	2.122	12	119.0040	2.422	42	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:1:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:N-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CHHN)(O)	C(CN[5]O)(NH3)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	C(N[5]C[5]2)(CHHN)(O)	C(CN[5]O)(NH3)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){4|H<1>}	116.4675	1.282	2	116.4675	1.643	2	116.4675	1.643	2	119.0040	2.422	42	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:1:1:	4:4:3:	N[5]-3:C-4:S-1:	C-3:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CCHH)(S)	C(CN[5]S)(CCHH)(H)2	N[5](C[5]C[5]2H)2(CCS)	C(N[5]C[5]2)(CCHH)(S)	C(CN[5]S)(CCHH)(H)2	N[5](C[5]C[5]2H)2(CCS){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	116.4580	0.000	1	116.4580	0.000	1	116.4580	0.000	1	119.0040	2.422	42	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:2:1:	3:4:3:	N[5]-3:C-4:O-1:	C-3:C-4:N-2:H-1:	C[5,6a]-3:C[5]-4:C-3:	C(N[5]C[5,6a]C[5])(CCHN)(O)	C(CN[5]O)(CCCO)(NN)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CCO)	C(N[5]C[5,6a]C[5])(CCHN)(O)	C(CN[5]O)(CCCO)(NN)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CCO){2|C<3>,2|H<1>}	119.4350	1.892	2	119.4350	3.580	2	119.4350	3.580	2	119.4350	3.580	2	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:2:1:	4:3:3:	N[5]-3:C-4:O-1:	C-3:C-4:N-2:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CCHN)(O)	C(CN[5]O)(CC3)(NN)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)	C(N[5]C[5]2)(CCHN)(O)	C(CN[5]O)(CC3)(NN)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO){2|H<1>}	118.3950	0.000	1	118.3950	0.000	1	118.5287	0.593	3	118.2225	0.770	4	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:2:1:	4:3:3:	N[5]-3:C-4:O-1:	C-3:C-4:N-2:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CCHN)(O)	C(CN[5]O)(CCHH)(NC)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCO)	C(N[5]C[5]2)(CCHN)(O)	C(CN[5]O)(CCHH)(NC)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCO){1|H<1>,1|O<2>}	117.8340	0.000	1	117.8340	0.000	1	118.5287	0.593	3	118.2225	0.770	4	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:2:1:	4:3:3:	N[5]-3:C-4:O-1:	C-3:C-4:N-2:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CCHN)(O)	C(CN[5]O)(CCHH)(NN)(H)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCO)	C(N[5]C[5]2)(CCHN)(O)	C(CN[5]O)(CCHH)(NN)(H)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCO){2|H<1>}	119.3570	0.000	1	119.3570	0.000	1	118.5287	0.593	3	118.2225	0.770	4	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:2:1:	4:3:3:	N[5]-3:C-4:O-1:	C-3:C-4:S-2:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CCHS)(O)	C(CN[5]O)(CH3)(SC)(H)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCO)	C(N[5]C[5]2)(CCHS)(O)	C(CN[5]O)(CH3)(SC)(H)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCO){2|C<3>,2|H<1>}	117.3040	0.000	1	117.3040	0.000	1	117.3040	0.000	1	118.2225	0.770	4	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:2:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:C-4:N-2:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CCHN)(O)	C(CN[5]O)(CCHH)(NC)(H)	N[5](C[5]C[5]CH)2(CCO)	C(N[5]C[5]2)(CCHN)(O)	C(CN[5]O)(CCHH)(NC)(H)	N[5](C[5]C[5]CH)2(CCO){4|H<1>}	117.9860	0.000	1	117.9860	0.000	1	117.6180	0.271	2	118.4844	3.364	8	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:2:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:C-4:N-2:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CCHN)(O)	C(CN[5]O)(CHHN)(NC)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	C(N[5]C[5]2)(CCHN)(O)	C(CN[5]O)(CHHN)(NC)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){4|H<1>}	117.2500	0.000	1	117.2500	0.000	1	117.6180	0.271	2	118.4844	3.364	8	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:2:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CCHO)(O)	C(CN[5]O)(CCHH)(OC)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	C(N[5]C[5]2)(CCHO)(O)	C(CN[5]O)(CCHH)(OC)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){4|H<1>}	118.6730	0.000	1	118.6730	0.000	1	118.7732	4.255	6	118.4844	3.364	8	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:2:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CCHO)(O)	C(CN[5]O)(CCHN)(OC)(H)	N[5](C[5]C[5]CH)(C[5]S[5]CH)(CCO)	C(N[5]C[5]2)(CCHO)(O)	C(CN[5]O)(CCHN)(OC)(H)	N[5](C[5]C[5]CH)(C[5]S[5]CH)(CCO){2|H<1>}	118.4970	0.000	1	118.4970	0.000	1	118.7732	4.255	6	118.4844	3.364	8	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:2:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CCHO)(O)	C(CN[5]O)(CCHN)(OH)(H)	N[5](C[5]C[5]CH)(C[5]S[5]HH)(CCO)	C(N[5]C[5]2)(CCHO)(O)	C(CN[5]O)(CCHN)(OH)(H)	N[5](C[5]C[5]CH)(C[5]S[5]HH)(CCO){2|H<1>}	117.6530	0.218	2	117.6530	0.047	2	118.7732	4.255	6	118.4844	3.364	8	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:2:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CCHO)(O)	C(CN[5]O)(CH3)(OC)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	C(N[5]C[5]2)(CCHO)(O)	C(CN[5]O)(CH3)(OC)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){4|H<1>}	117.3240	0.000	1	117.3240	0.000	1	118.7732	4.255	6	118.4844	3.364	8	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:2:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CCHO)(O)	C(CN[5]O)(CH3)(OH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	C(N[5]C[5]2)(CCHO)(O)	C(CN[5]O)(CH3)(OH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){4|H<1>}	122.8390	0.000	1	122.8390	0.000	1	118.7732	4.255	6	118.4844	3.364	8	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:2:2:	3:4:3:	N[5]-3:C-4:O-1:	C-3:C-4:C-2:O-2:	C[5,6a]-3:C[5]-4:C-3:	C(N[5]C[5,6a]C[5])(CCCO)(O)	C(CN[5]O)(CH3)(CC)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO)	C(N[5]C[5,6a]C[5])(CCCO)(O)	C(CN[5]O)(CH3)(CC)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO){2|C<3>,3|H<1>}	118.8720	0.341	2	118.8720	0.116	2	118.8720	0.116	2	118.8720	0.116	2	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:3:1:	3:2:3:	N[5]-3:C-4:O-1:	C-3:C-4:N-3:H-1:	C[5,6a]-3:N[5]-2:C-3:	C(N[5]C[5,6a]N[5])(CCHN)(O)	C(CN[5]O)(CCHH)(NCH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCO)	C(N[5]C[5,6a]N[5])(CCHN)(O)	C(CN[5]O)(CCHH)(NCH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCO){1|H<1>,1|O<1>,2|C<3>}	116.6570	0.000	1	116.6570	0.000	1	116.6570	0.000	1	116.6570	0.000	1	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:3:1:	3:4:3:	N[5]-3:C-4:O-1:	C-3:C-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C-3:	C(N[5]C[5,6a]C[5])(CCCH)(O)	C(CN[5]O)(CCHO)(CCH)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CCO)	C(N[5]C[5,6a]C[5])(CCCH)(O)	C(CN[5]O)(CCHO)(CCH)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CCO){2|C<3>,2|H<1>}	119.8120	1.588	2	119.8120	2.522	2	119.8120	2.522	2	119.8120	2.522	2	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:3:1:	4:3:3:	N[5]-3:C-4:O-1:	C-3:C-4:C-3:H-1:	C[5,5]-4:C[5]-3:C-3:	C(N[5]C[5,5]C[5])(CCCH)(O)	C(CN[5]O)(CH3)(CCO)(H)	N[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(CCO)	C(N[5]C[5,5]C[5])(CCCH)(O)	C(CN[5]O)(CH3)(CCO)(H)	N[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(CCO){1|H<1>,2|C<4>}	118.8270	0.000	1	118.8270	0.000	1	118.8270	0.000	1	118.5439	0.785	9	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:3:1:	4:3:3:	N[5]-3:C-4:O-1:	C-3:C-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CCCH)(O)	C(CN[5]O)(CH3)(CCN)(H)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCO)	C(N[5]C[5]2)(CCCH)(O)	C(CN[5]O)(CH3)(CCN)(H)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCO){2|H<1>}	118.7660	0.416	2	118.7660	0.173	2	118.7660	0.173	2	118.5439	0.785	9	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:3:1:	4:3:3:	N[5]-3:C-4:O-1:	C-3:C-4:N-3:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CCHN)(O)	C(CN[5]O)(CCCH)(NCH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)	C(N[5]C[5]2)(CCHN)(O)	C(CN[5]O)(CCCH)(NCH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO){2|H<1>}	118.2805	0.262	2	118.2805	0.069	2	118.2122	1.127	5	118.5439	0.785	9	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:3:1:	4:3:3:	N[5]-3:C-4:O-1:	C-3:C-4:N-3:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CCHN)(O)	C(CN[5]O)(CH3)(NCH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCO)	C(N[5]C[5]2)(CCHN)(O)	C(CN[5]O)(CH3)(NCH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCO){4|H<1>}	117.3555	0.689	2	117.3555	0.475	2	118.2122	1.127	5	118.5439	0.785	9	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:3:1:	4:3:3:	N[5]-3:C-4:O-1:	C-3:C-4:N-3:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CCHN)(O)	C(CN[5]O)(CH3)(NCH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)	C(N[5]C[5]2)(CCHN)(O)	C(CN[5]O)(CH3)(NCH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO){1|C<4>,1|H<1>}	119.7890	0.000	1	119.7890	0.000	1	118.2122	1.127	5	118.5439	0.785	9	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:3:1:	4:3:3:	N[5]-3:C-4:O-1:	C[6a]-3:C-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CC[6a]CH)(O)	C(C[6a]C[6a]2)(CC[6a]CH)(CN[5]O)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)	C(N[5]C[5]2)(CC[6a]CH)(O)	C(C[6a]C[6a]2)(CC[6a]CH)(CN[5]O)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO){2|H<1>}	119.4750	0.000	1	119.4750	0.000	1	119.4750	0.000	1	118.5439	0.785	9	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:3:1:	4:4:3:	N[5]-3:C-4:H-1:	C[6a]-3:C-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]2H)(CN[5]H)(H)	N[5](C[5]C[5]HH)2(CCH)	C(N[5]C[5]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]2H)(CN[5]H)(H)	N[5](C[5]C[5]HH)2(CCH){4|H<1>}	125.9250	0.000	1	125.9250	0.000	1	125.9250	0.000	1	118.0626	1.924	92	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:3:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:C-4:C-3:H-1:	C[5,5,6]-4:S[5]-4:C-3:	C(N[5]C[5,5,6]S[5])(CCCH)(O)	C(CN[5]O)(CH3)(CCH)(H)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO)	C(N[5]C[5,5,6]S[5])(CCCH)(O)	C(CN[5]O)(CH3)(CCH)(H)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO){3|C<4>,4|H<1>}	117.4530	0.000	1	117.4530	0.000	1	117.4530	0.000	1	118.0626	1.924	92	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:3:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:C-4:N-3:H-1:	C[5,5,6]-4:S[5]-4:C-3:	C(N[5]C[5,5,6]S[5])(CCHN)(O)	C(CN[5]O)(CCCH)(NHO)(H)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO)	C(N[5]C[5,5,6]S[5])(CCHN)(O)	C(CN[5]O)(CCCH)(NHO)(H)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO){3|C<4>,4|H<1>}	117.0620	0.000	1	117.0620	0.000	1	117.0620	0.000	1	118.0626	1.924	92	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:3:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:C-4:N-3:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CCHN)(O)	C(CN[5]O)(CC3)(NCH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	C(N[5]C[5]2)(CCHN)(O)	C(CN[5]O)(CC3)(NCH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){4|H<1>}	118.8820	0.560	2	118.8820	0.314	2	118.0527	1.125	86	118.0626	1.924	92	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:3:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:C-4:N-3:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CCHN)(O)	C(CN[5]O)(CC3)(NCH)(H)	N[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(CCO)	C(N[5]C[5]2)(CCHN)(O)	C(CN[5]O)(CC3)(NCH)(H)	N[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(CCO){2|C<3>,4|H<1>}	118.7440	0.000	1	118.7440	0.000	1	118.0527	1.125	86	118.0626	1.924	92	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:3:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:C-4:N-3:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CCHN)(O)	C(CN[5]O)(CC3)(NCH)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CCO)	C(N[5]C[5]2)(CCHN)(O)	C(CN[5]O)(CC3)(NCH)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CCO){2|C<3>,4|H<1>}	118.0680	0.727	2	118.0680	0.528	2	118.0527	1.125	86	118.0626	1.924	92	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:3:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:C-4:N-3:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CCHN)(O)	C(CN[5]O)(CCCH)(NCC)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	C(N[5]C[5]2)(CCHN)(O)	C(CN[5]O)(CCCH)(NCC)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){1|C<4>,1|H<1>,2|O<2>}	118.2880	0.000	1	117.5225	1.172	2	118.0527	1.125	86	118.0626	1.924	92	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:3:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:C-4:N-3:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CCHN)(O)	C(CN[5]O)(CCCH)(NCC)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	C(N[5]C[5]2)(CCHN)(O)	C(CN[5]O)(CCCH)(NCC)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){4|H<1>}	116.7570	0.000	1	117.5225	1.172	2	118.0527	1.125	86	118.0626	1.924	92	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:3:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:C-4:N-3:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CCHN)(O)	C(CN[5]O)(CCCH)(NCH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	C(N[5]C[5]2)(CCHN)(O)	C(CN[5]O)(CCCH)(NCH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){4|H<1>}	117.8005	1.120	11	117.8005	1.255	11	118.0527	1.125	86	118.0626	1.924	92	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:3:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:C-4:N-3:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CCHN)(O)	C(CN[5]O)(CCHH)(NCH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	C(N[5]C[5]2)(CCHN)(O)	C(CN[5]O)(CCHH)(NCH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){4|H<1>}	117.2120	0.000	1	117.2120	0.000	1	118.0527	1.125	86	118.0626	1.924	92	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:3:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:C-4:N-3:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CCHN)(O)	C(CN[5]O)(CCHO)(NCH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	C(N[5]C[5]2)(CCHN)(O)	C(CN[5]O)(CCHO)(NCH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){4|H<1>}	117.9260	0.226	2	117.9260	0.051	2	118.0527	1.125	86	118.0626	1.924	92	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:3:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:C-4:N-3:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CCHN)(O)	C(CN[5]O)(CCHO)(NCH)(H)	N[5](C[5]C[5]CH)(C[5]S[5]CH)(CCO)	C(N[5]C[5]2)(CCHN)(O)	C(CN[5]O)(CCHO)(NCH)(H)	N[5](C[5]C[5]CH)(C[5]S[5]CH)(CCO){2|H<1>}	117.3020	0.212	4	117.3020	0.045	4	118.0527	1.125	86	118.0626	1.924	92	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:3:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:C-4:N-3:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CCHN)(O)	C(CN[5]O)(CH3)(NCH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	C(N[5]C[5]2)(CCHN)(O)	C(CN[5]O)(CH3)(NCH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){1|C<4>,3|H<1>}	117.6780	0.000	1	118.2790	1.867	27	118.0527	1.125	86	118.0626	1.924	92	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:3:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:C-4:N-3:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CCHN)(O)	C(CN[5]O)(CH3)(NCH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	C(N[5]C[5]2)(CCHN)(O)	C(CN[5]O)(CH3)(NCH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){1|O<2>,3|H<1>}	116.5580	0.785	2	118.2790	1.867	27	118.0527	1.125	86	118.0626	1.924	92	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:3:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:C-4:N-3:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CCHN)(O)	C(CN[5]O)(CH3)(NCH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	C(N[5]C[5]2)(CCHN)(O)	C(CN[5]O)(CH3)(NCH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){4|H<1>}	118.4475	1.334	24	118.2790	1.867	27	118.0527	1.125	86	118.0626	1.924	92	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:3:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:C-4:N-3:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CCHN)(O)	C(CN[5]O)(CH3)(NHS)(H)	N[5](C[5]C[5]CH)(C[5]O[5]CH)(CCO)	C(N[5]C[5]2)(CCHN)(O)	C(CN[5]O)(CH3)(NHS)(H)	N[5](C[5]C[5]CH)(C[5]O[5]CH)(CCO){2|H<1>}	117.1070	0.000	1	117.1070	0.000	1	118.0527	1.125	86	118.0626	1.924	92	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:3:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:C-4:N-3:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CCHN)(O)	C(CN[5]O)(CHHN)(NCH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	C(N[5]C[5]2)(CCHN)(O)	C(CN[5]O)(CHHN)(NCH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){4|H<1>}	118.1121	0.889	28	118.1121	0.791	28	118.0527	1.125	86	118.0626	1.924	92	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:3:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:C-4:N-3:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CCHN)(O)	C(CN[5]O)(CHHO)(NCH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	C(N[5]C[5]2)(CCHN)(O)	C(CN[5]O)(CHHO)(NCH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){4|H<1>}	116.5900	0.000	1	116.5900	0.000	1	118.0527	1.125	86	118.0626	1.924	92	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:3:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:C-4:N-3:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CCHN)(O)	C(CN[5]O)(CHHS)(NCH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	C(N[5]C[5]2)(CCHN)(O)	C(CN[5]O)(CHHS)(NCH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){4|H<1>}	118.0985	0.338	4	118.0985	0.114	4	118.0527	1.125	86	118.0626	1.924	92	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:3:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:N-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CCHN)(O)	C(CN[5]O)(NH3)(CCH)(H)	N[5](C[5]C[5]CH)2(CCO)	C(N[5]C[5]2)(CCHN)(O)	C(CN[5]O)(NH3)(CCH)(H)	N[5](C[5]C[5]CH)2(CCO){4|H<1>}	114.4530	0.000	1	114.4530	0.000	1	114.4530	0.000	1	118.0626	1.924	92	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:3:1:	4:4:3:	N[5]-3:C-4:O-1:	C[5a]-3:C-4:C-3:H-1:	C[5,5,6]-4:S[5]-4:C-3:	C(N[5]C[5,5,6]S[5])(CC[5a]CH)(O)	C(C[5a]C[5a]N[5a])(CC[6a]HH)(CN[5]O)(H)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO)	C(N[5]C[5,5,6]S[5])(CC[5a]CH)(O)	C(C[5a]C[5a]N[5a])(CC[6a]HH)(CN[5]O)(H)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO){3|C<4>,4|H<1>}	118.0710	0.000	1	118.0710	0.000	1	118.0710	0.000	1	118.0626	1.924	92	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:3:1:	4:4:3:	N[5]-3:C-4:S-1:	C-3:C-4:N-3:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CCHN)(S)	C(CN[5]S)(CCCH)(NCH)(H)	N[5](C[5]C[6a]C[5]H)2(CCS)	C(N[5]C[5]2)(CCHN)(S)	C(CN[5]S)(CCCH)(NCH)(H)	N[5](C[5]C[6a]C[5]H)2(CCS){4|C<3>,4|H<1>}	116.2600	0.000	1	116.2600	0.000	1	116.2600	0.000	1	118.0626	1.924	92	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:3:3:	4:4:3:	N[5]-3:C-4:O-1:	C[6a]-3:C-4:C-3:N-3:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CC[6a]CN)(O)	C(C[6a]C[6a]2)(CC[6a]HH)(CN[5]O)(NCH)	N[5](C[5]C[5]HH)2(CCO)	C(N[5]C[5]2)(CC[6a]CN)(O)	C(C[6a]C[6a]2)(CC[6a]HH)(CN[5]O)(NCH)	N[5](C[5]C[5]HH)2(CCO){4|H<1>}	118.8130	0.000	1	118.8130	0.000	1	118.8130	0.000	1	118.8130	0.000	1	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:4:1:	3:4:3:	N[5]-3:C-4:O-1:	C-3:C-4:C-4:H-1:	C[5,6a]-3:C[5]-4:C-3:	C(N[5]C[5,6a]C[5])(CCCH)(O)	C(CN[5]O)(CCHN)(CH3)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO)	C(N[5]C[5,6a]C[5])(CCCH)(O)	C(CN[5]O)(CCHN)(CH3)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO){2|C<3>,3|H<1>}	116.2550	0.000	1	116.2550	0.000	1	118.1197	2.644	3	118.1197	2.644	3	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:4:1:	3:4:3:	N[5]-3:C-4:O-1:	C-3:C-4:C-4:H-1:	C[5,6a]-3:C[5]-4:C-3:	C(N[5]C[5,6a]C[5])(CCCH)(O)	C(CN[5]O)(CCHO)(CF3)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CCO)	C(N[5]C[5,6a]C[5])(CCCH)(O)	C(CN[5]O)(CCHO)(CF3)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CCO){2|C<3>,2|H<1>}	119.0520	0.270	2	119.0520	0.073	2	118.1197	2.644	3	118.1197	2.644	3	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:4:1:	4:3:3:	N[5]-3:C-4:O-1:	C-3:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CCCH)(O)	C(CN[5]O)(CCCF)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)	C(N[5]C[5]2)(CCCH)(O)	C(CN[5]O)(CCCF)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO){2|C<4>}	118.7395	0.247	2	118.7395	0.061	2	118.6778	2.285	25	118.6778	2.285	25	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:4:1:	4:3:3:	N[5]-3:C-4:O-1:	C-3:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CCCH)(O)	C(CN[5]O)(CCCH)2(H)	N[5](C[5]C[5]CH)(C[5]S[5]S)(CCO)	C(N[5]C[5]2)(CCCH)(O)	C(CN[5]O)(CCCH)2(H)	N[5](C[5]C[5]CH)(C[5]S[5]S)(CCO){2|H<1>}	120.2690	0.000	1	120.2690	0.000	1	118.6778	2.285	25	118.6778	2.285	25	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:4:1:	4:3:3:	N[5]-3:C-4:O-1:	C-3:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CCCH)(O)	C(CN[5]O)(CCCO)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]S[5]S)(CCO)	C(N[5]C[5]2)(CCCH)(O)	C(CN[5]O)(CCCO)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]S[5]S)(CCO){2|H<1>}	120.1560	0.000	1	120.1560	0.000	1	118.6778	2.285	25	118.6778	2.285	25	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:4:1:	4:3:3:	N[5]-3:C-4:O-1:	C-3:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CCCH)(O)	C(CN[5]O)(CCHH)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)	C(N[5]C[5]2)(CCCH)(O)	C(CN[5]O)(CCHH)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO){2|C<4>}	118.6300	0.000	1	118.0160	2.461	3	118.6778	2.285	25	118.6778	2.285	25	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:4:1:	4:3:3:	N[5]-3:C-4:O-1:	C-3:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CCCH)(O)	C(CN[5]O)(CCHH)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)	C(N[5]C[5]2)(CCCH)(O)	C(CN[5]O)(CCHH)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO){2|H<1>}	117.7090	2.087	2	118.0160	2.461	3	118.6778	2.285	25	118.6778	2.285	25	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:4:1:	4:3:3:	N[5]-3:C-4:O-1:	C-3:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CCCH)(O)	C(CN[5]O)(CCHO)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)	C(N[5]C[5]2)(CCCH)(O)	C(CN[5]O)(CCHO)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO){1|C<3>,1|H<1>}	118.3563	2.152	3	118.3793	1.781	9	118.6778	2.285	25	118.6778	2.285	25	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:4:1:	4:3:3:	N[5]-3:C-4:O-1:	C-3:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CCCH)(O)	C(CN[5]O)(CCHO)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)	C(N[5]C[5]2)(CCCH)(O)	C(CN[5]O)(CCHO)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO){2|C<3>}	116.8240	0.000	1	118.3793	1.781	9	118.6778	2.285	25	118.6778	2.285	25	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:4:1:	4:3:3:	N[5]-3:C-4:O-1:	C-3:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CCCH)(O)	C(CN[5]O)(CCHO)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)	C(N[5]C[5]2)(CCCH)(O)	C(CN[5]O)(CCHO)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO){2|H<1>}	118.7042	0.714	5	118.3793	1.781	9	118.6778	2.285	25	118.6778	2.285	25	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:4:1:	4:3:3:	N[5]-3:C-4:O-1:	C-3:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CCCH)(O)	C(CN[5]O)(CCHO)(CH3)(H)	N[5](C[5]C[5]HH)(C[5]S[5]S)(CCO)	C(N[5]C[5]2)(CCCH)(O)	C(CN[5]O)(CCHO)(CH3)(H)	N[5](C[5]C[5]HH)(C[5]S[5]S)(CCO){2|H<1>}	119.8120	0.000	1	119.8120	0.000	1	118.6778	2.285	25	118.6778	2.285	25	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:4:1:	4:3:3:	N[5]-3:C-4:O-1:	C-3:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CCCH)(O)	C(CN[5]O)(CCHO)(CHHN)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)	C(N[5]C[5]2)(CCCH)(O)	C(CN[5]O)(CCHO)(CHHN)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO){2|C<4>}	119.6020	0.000	1	119.6020	0.000	1	118.6778	2.285	25	118.6778	2.285	25	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:4:1:	4:3:3:	N[5]-3:C-4:O-1:	C-3:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CCCH)(O)	C(CN[5]O)(CCl3)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)	C(N[5]C[5]2)(CCCH)(O)	C(CN[5]O)(CCl3)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO){2|H<1>}	118.5420	0.000	1	118.5420	0.000	1	118.6778	2.285	25	118.6778	2.285	25	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:4:1:	4:3:3:	N[5]-3:C-4:O-1:	C-3:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CCCH)(O)	C(CN[5]O)(CH3)2(H)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CCO)	C(N[5]C[5]2)(CCCH)(O)	C(CN[5]O)(CH3)2(H)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CCO){1|C<3>,2|H<1>}	118.1823	2.804	4	118.5664	6.633	5	118.6778	2.285	25	118.6778	2.285	25	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:4:1:	4:3:3:	N[5]-3:C-4:O-1:	C-3:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CCCH)(O)	C(CN[5]O)(CH3)2(H)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CCO)	C(N[5]C[5]2)(CCCH)(O)	C(CN[5]O)(CH3)2(H)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CCO){3|H<1>}	120.1030	0.000	1	118.5664	6.633	5	118.6778	2.285	25	118.6778	2.285	25	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:4:1:	4:3:3:	N[5]-3:C-4:O-1:	C-3:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CCCH)(O)	C(CN[5]O)(CHHN)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)	C(N[5]C[5]2)(CCCH)(O)	C(CN[5]O)(CHHN)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO){2|C<4>}	118.7900	0.000	1	118.7900	0.000	1	118.6778	2.285	25	118.6778	2.285	25	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:4:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:C-4:C-4:H-1:	C[5,5,6]-4:S[5]-4:C-3:	C(N[5]C[5,5,6]S[5])(CCCH)(O)	C(CN[5]O)(CCCH)(CCHO)(H)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO)	C(N[5]C[5,5,6]S[5])(CCCH)(O)	C(CN[5]O)(CCCH)(CCHO)(H)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO){3|C<4>,4|H<1>}	117.7880	0.000	1	117.7880	0.000	1	118.5438	1.181	4	117.8855	1.678	14	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:4:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:C-4:C-4:H-1:	C[5,5,6]-4:S[5]-4:C-3:	C(N[5]C[5,5,6]S[5])(CCCH)(O)	C(CN[5]O)(CCCO)(CH3)(H)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO)	C(N[5]C[5,5,6]S[5])(CCCH)(O)	C(CN[5]O)(CCCO)(CH3)(H)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO){3|C<4>,4|H<1>}	117.8560	0.000	1	117.8560	0.000	1	118.5438	1.181	4	117.8855	1.678	14	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:4:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:C-4:C-4:H-1:	C[5,5,6]-4:S[5]-4:C-3:	C(N[5]C[5,5,6]S[5])(CCCH)(O)	C(CN[5]O)(CCHH)(CH3)(H)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO)	C(N[5]C[5,5,6]S[5])(CCCH)(O)	C(CN[5]O)(CCHH)(CH3)(H)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO){3|C<4>,4|H<1>}	118.4120	0.000	1	118.4120	0.000	1	118.5438	1.181	4	117.8855	1.678	14	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:4:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:C-4:C-4:H-1:	C[5,5,6]-4:S[5]-4:C-3:	C(N[5]C[5,5,6]S[5])(CCCH)(O)	C(CN[5]O)(CCHO)(CH3)(H)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO)	C(N[5]C[5,5,6]S[5])(CCCH)(O)	C(CN[5]O)(CCHO)(CH3)(H)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO){3|C<4>,4|H<1>}	120.1190	0.000	1	120.1190	0.000	1	118.5438	1.181	4	117.8855	1.678	14	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:4:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:C-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CCCH)(O)	C(CN[5]O)(CCHH)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	C(N[5]C[5]2)(CCCH)(O)	C(CN[5]O)(CCHH)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){4|H<1>}	118.7670	0.000	1	118.7670	0.000	1	118.7446	0.021	5	117.8855	1.678	14	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:4:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:C-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CCCH)(O)	C(CN[5]O)(CHHS)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	C(N[5]C[5]2)(CCCH)(O)	C(CN[5]O)(CHHS)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){4|H<1>}	118.7390	0.166	4	118.7390	0.027	4	118.7446	0.021	5	117.8855	1.678	14	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:4:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:C-4:N-4:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CCHN)(O)	C(CN[5]O)(CH3)(NH3)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	C(N[5]C[5]2)(CCHN)(O)	C(CN[5]O)(CH3)(NH3)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){4|H<1>}	115.7090	0.014	2	115.7090	0.000	2	115.7090	0.000	2	117.8855	1.678	14	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:4:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:N-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-3:	C(N[5]C[5,6]C[5])(CCHN)(O)	C(CN[5]O)(NCHH)(CH3)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CCO)	C(N[5]C[5,6]C[5])(CCHN)(O)	C(CN[5]O)(NCHH)(CH3)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CCO){2|C<4>,5|H<1>}	117.0270	0.734	3	117.0270	0.538	3	117.0270	0.538	3	117.8855	1.678	14	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:4:2:	4:4:3:	N[5]-3:C-4:O-1:	C-3:C-4:C-4:O-2:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CCCO)(O)	C(CN[5]O)(CH3)2(OC)	N[5](C[5]C[5]CC)(C[5]O[5]CH)(CCO)	C(N[5]C[5]2)(CCCO)(O)	C(CN[5]O)(CH3)2(OC)	N[5](C[5]C[5]CC)(C[5]O[5]CH)(CCO){2|H<1>}	120.9070	0.000	1	120.9070	0.000	1	121.3085	0.322	2	121.3085	0.322	2	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:4:2:	4:4:3:	N[5]-3:C-4:O-1:	C-3:C-4:C-4:O-2:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CCCO)(O)	C(CN[5]O)(CH3)2(OC)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]CH)(CCO)	C(N[5]C[5]2)(CCCO)(O)	C(CN[5]O)(CH3)2(OC)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]CH)(CCO){2|C<3>,2|H<1>}	121.7100	0.000	1	121.7100	0.000	1	121.3085	0.322	2	121.3085	0.322	2	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:4:3:	4:4:3:	N[5]-3:C-4:O-1:	C-3:C-4:C-4:N-3:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CCCN)(O)	C(CN[5]O)(CH3)2(NCH)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	C(N[5]C[5]2)(CCCN)(O)	C(CN[5]O)(CH3)2(NCH)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){1|O<2>,3|H<1>}	120.7670	0.000	1	120.7890	0.000	3	120.7890	0.000	3	120.7890	0.000	3	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:4:3:	4:4:3:	N[5]-3:C-4:O-1:	C-3:C-4:C-4:N-3:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CCCN)(O)	C(CN[5]O)(CH3)2(NCH)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	C(N[5]C[5]2)(CCCN)(O)	C(CN[5]O)(CH3)2(NCH)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){4|H<1>}	120.8000	0.010	2	120.7890	0.000	3	120.7890	0.000	3	120.7890	0.000	3	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:4:4:	3:4:3:	N[5]-3:C-4:O-1:	C-3:C-4:C-4:C-4:	C[5,6a]-3:C[5]-4:C-3:	C(N[5]C[5,6a]C[5])(CC3)(O)	C(CN[5]O)(CH3)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(CCO)	C(N[5]C[5,6a]C[5])(CC3)(O)	C(CN[5]O)(CH3)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(CCO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	121.6590	0.000	1	121.6590	0.000	1	121.0955	0.332	6	121.0955	0.332	6	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:4:4:	3:4:3:	N[5]-3:C-4:O-1:	C-3:C-4:C-4:C-4:	C[5,6a]-3:C[5]-4:C-3:	C(N[5]C[5,6a]C[5])(CC3)(O)	C(CN[5]O)(CH3)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO)	C(N[5]C[5,6a]C[5])(CC3)(O)	C(CN[5]O)(CH3)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO){2|H<1>,3|C<3>}	121.2260	0.000	1	121.2260	0.000	1	121.0955	0.332	6	121.0955	0.332	6	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:4:4:	3:4:3:	N[5]-3:C-4:O-1:	C-3:C-4:C-4:C-4:	C[5,6a]-3:C[5]-4:C-3:	C(N[5]C[5,6a]C[5])(CC3)(O)	C(CN[5]O)(CH3)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(CCO)	C(N[5]C[5,6a]C[5])(CC3)(O)	C(CN[5]O)(CH3)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(CCO){1|Cu<4>,1|C<4>,1|H<1>,2|C<3>}	120.9220	0.633	4	120.9220	0.401	4	121.0955	0.332	6	121.0955	0.332	6	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:4:4:	4:2:3:	N[5]-3:C-4:O-1:	C-3:C-4:C-4:C-4:	C[5,5]-4:N[5]-2:C-3:	C(N[5]C[5,5]N[5])(CC3)(O)	C(CN[5]O)(CH3)3	N[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5])(CCO)	C(N[5]C[5,5]N[5])(CC3)(O)	C(CN[5]O)(CH3)3	N[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5])(CCO){5|C<3>}	119.4810	0.000	1	119.4810	0.000	1	119.4810	0.000	1	119.4810	0.000	1	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:4:4:	4:4:3:	N[5]-3:C-4:O-1:	C-3:C-4:C-4:C-4:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CC3)(O)	C(CN[5]O)(CH3)3	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	C(N[5]C[5]2)(CC3)(O)	C(CN[5]O)(CH3)3	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){1|C<3>,3|H<1>}	121.5305	0.624	6	121.5200	0.564	19	121.7114	0.752	25	121.5642	0.902	28	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:4:4:	4:4:3:	N[5]-3:C-4:O-1:	C-3:C-4:C-4:C-4:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CC3)(O)	C(CN[5]O)(CH3)3	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	C(N[5]C[5]2)(CC3)(O)	C(CN[5]O)(CH3)3	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){4|H<1>}	121.5152	0.827	13	121.5200	0.564	19	121.7114	0.752	25	121.5642	0.902	28	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:4:4:	4:4:3:	N[5]-3:C-4:O-1:	C-3:C-4:C-4:C-4:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CC3)(O)	C(CN[5]O)(CH3)3	N[5](C[5]C[5]O[5]H)(C[5]C[5]CC)(CCO)	C(N[5]C[5]2)(CC3)(O)	C(CN[5]O)(CH3)3	N[5](C[5]C[5]O[5]H)(C[5]C[5]CC)(CCO){1|Fe<10>,1|O<1>,2|C<4>}	122.1740	1.974	2	122.1740	3.898	2	121.7114	0.752	25	121.5642	0.902	28	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:4:4:	4:4:3:	N[5]-3:C-4:O-1:	C-3:C-4:C-4:C-4:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CC3)(O)	C(CN[5]O)(CH3)3	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CCO)	C(N[5]C[5]2)(CC3)(O)	C(CN[5]O)(CH3)3	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CCO){1|C<4>,2|H<1>,3|C<3>}	122.4710	0.744	2	122.4710	0.553	2	121.7114	0.752	25	121.5642	0.902	28	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:4:4:	4:4:3:	N[5]-3:C-4:O-1:	C-3:C-4:C-4:C-4:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CC3)(O)	C(CN[5]O)(CH3)3	N[5](C[5]Si[5]HH)(C[5]C[5]CH)(CCO)	C(N[5]C[5]2)(CC3)(O)	C(CN[5]O)(CH3)3	N[5](C[5]Si[5]HH)(C[5]C[5]CH)(CCO){2|C<4>,2|H<1>}	122.3080	0.672	2	122.3080	0.451	2	121.7114	0.752	25	121.5642	0.902	28	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:4:4:	4:4:3:	N[5]-3:C-4:S-1:	C-3:C-4:C-4:C-4:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CC3)(S)	C(CN[5]S)(CH3)3	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCS)	C(N[5]C[5]2)(CC3)(S)	C(CN[5]S)(CH3)3	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCS){4|H<1>}	120.6725	0.747	2	120.6725	0.559	2	120.3370	0.617	3	121.5642	0.902	28	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	3:4:4:4:	4:4:3:	N[5]-3:C-4:S-1:	C-3:C-4:C-4:C-4:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CC3)(S)	C(CN[5]S)(CH3)3	N[5](C[5]C[6a]C[5]H)2(CCS)	C(N[5]C[5]2)(CC3)(S)	C(CN[5]S)(CH3)3	N[5](C[5]C[6a]C[5]H)2(CCS){4|C<3>,4|H<1>}	119.6660	0.000	1	119.6660	0.000	1	120.3370	0.617	3	121.5642	0.902	28	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	4:3:1:1:	3:4:3:	N[5]-3:C-4:O-1:	C-4:C-3:Cl-1:H-1:	C[5,6a]-3:C[5]-4:C-3:	C(N[5]C[5,6a]C[5])(CClCH)(O)	C(CC[6]HN)(CN[5]O)(Cl)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CCO)	C(N[5]C[5,6a]C[5])(CClCH)(O)	C(CC[6]HN)(CN[5]O)(Cl)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CCO){2|C<3>,2|H<1>}	117.0110	0.964	2	117.0110	0.930	2	117.4003	0.480	6	117.4003	0.480	6	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	4:3:1:1:	3:4:3:	N[5]-3:C-4:O-1:	C-4:C-3:Cl-1:H-1:	C[5,6a]-3:C[5]-4:C-3:	C(N[5]C[5,6a]C[5])(CClCH)(O)	C(CC[6a]HN)(CN[5]O)(Cl)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CCO)	C(N[5]C[5,6a]C[5])(CClCH)(O)	C(CC[6a]HN)(CN[5]O)(Cl)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CCO){2|C<3>,2|H<1>}	117.5950	0.582	4	117.5950	0.338	4	117.4003	0.480	6	117.4003	0.480	6	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	4:3:1:1:	4:3:3:	N[5]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CCHH)(O)	C(CC[5]HH)(CN[5]O)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCO)	C(N[5]C[5]2)(CCHH)(O)	C(CC[5]HH)(CN[5]O)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCO){2|H<1>}	117.7590	0.000	1	117.7590	0.000	1	119.1345	1.627	14	119.1224	1.513	15	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	4:3:1:1:	4:3:3:	N[5]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CCHH)(O)	C(CC[5a]CH)(CN[5]O)(H)2	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)	C(N[5]C[5]2)(CCHH)(O)	C(CC[5a]CH)(CN[5]O)(H)2	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO){2|H<1>}	120.0260	0.000	1	120.0260	0.000	1	119.1345	1.627	14	119.1224	1.513	15	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	4:3:1:1:	4:3:3:	N[5]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CCHH)(O)	C(CC[6a]B[5]H)(CN[5]O)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCO)	C(N[5]C[5]2)(CCHH)(O)	C(CC[6a]B[5]H)(CN[5]O)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCO){2|H<1>}	119.1538	0.957	4	119.1538	0.916	4	119.1345	1.627	14	119.1224	1.513	15	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	4:3:1:1:	4:3:3:	N[5]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CCHH)(O)	C(CC[6a]BrH)(CN[5]O)(H)2	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)	C(N[5]C[5]2)(CCHH)(O)	C(CC[6a]BrH)(CN[5]O)(H)2	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO){2|H<1>}	116.5170	0.000	1	116.5170	0.000	1	119.1345	1.627	14	119.1224	1.513	15	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	4:3:1:1:	4:3:3:	N[5]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CCHH)(O)	C(CC[6a]CH)(CN[5]O)(H)2	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)	C(N[5]C[5]2)(CCHH)(O)	C(CC[6a]CH)(CN[5]O)(H)2	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO){2|H<1>}	118.6895	0.439	2	118.6895	0.193	2	119.1345	1.627	14	119.1224	1.513	15	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	4:3:1:1:	4:3:3:	N[5]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CCHH)(O)	C(CC[6a]CH)(CN[5]O)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CCO)	C(N[5]C[5]2)(CCHH)(O)	C(CC[6a]CH)(CN[5]O)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CCO){1|H<1>,2|C<3>,2|C<4>}	120.9810	0.000	1	120.9810	0.000	1	119.1345	1.627	14	119.1224	1.513	15	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	4:3:1:1:	4:3:3:	N[5]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CCHH)(O)	C(CC[6a]CH)(CN[5]O)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]O[5]S)(CCO)	C(N[5]C[5]2)(CCHH)(O)	C(CC[6a]CH)(CN[5]O)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]O[5]S)(CCO){2|C<3>,2|C<4>}	119.4860	0.000	1	119.4860	0.000	1	119.1345	1.627	14	119.1224	1.513	15	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	4:3:1:1:	4:3:3:	N[5]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CCHH)(O)	C(CC[6a]C[6]H)(CN[5]O)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCO)	C(N[5]C[5]2)(CCHH)(O)	C(CC[6a]C[6]H)(CN[5]O)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCO){2|C<3>,2|C<4>}	120.2580	0.000	1	120.2580	0.000	1	119.1345	1.627	14	119.1224	1.513	15	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	4:3:1:1:	4:3:3:	N[5]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CCHH)(O)	C(CC[6a]HS)(CN[5]O)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCO)	C(N[5]C[5]2)(CCHH)(O)	C(CC[6a]HS)(CN[5]O)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCO){2|H<1>}	118.1460	0.000	1	118.1460	0.000	1	119.1345	1.627	14	119.1224	1.513	15	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	4:3:1:1:	4:3:3:	N[5]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CCHH)(O)	C(CN[5]HH)(CN[5]O)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]S)(CCO)	C(N[5]C[5]2)(CCHH)(O)	C(CN[5]HH)(CN[5]O)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]S)(CCO){2|H<1>}	120.7160	0.000	1	120.7160	0.000	1	119.1345	1.627	14	119.1224	1.513	15	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	4:3:1:1:	4:3:3:	N[5]-3:C-4:O-1:	C[6]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CC[6]HH)(O)	C(C[6]C[6]2H)(CN[5]O)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCO)	C(N[5]C[5]2)(CC[6]HH)(O)	C(C[6]C[6]2H)(CN[5]O)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCO){2|H<1>}	118.9530	0.000	1	118.9530	0.000	1	118.9530	0.000	1	119.1224	1.513	15	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	4:3:1:1:	4:4:3:	N[5]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[5,5,6]-4:S[5]-4:C-3:	C(N[5]C[5,5,6]S[5])(CCHH)(O)	C(CC[6a]CH)(CN[5]O)(H)2	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO)	C(N[5]C[5,5,6]S[5])(CCHH)(O)	C(CC[6a]CH)(CN[5]O)(H)2	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO){3|C<4>,4|H<1>}	116.5815	0.310	2	116.5815	0.096	2	116.5815	0.096	2	117.2952	3.827	8	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	4:3:1:1:	4:4:3:	N[5]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CCHH)(O)	C(CC[6a]CO)(CN[5]O)(H)2	N[5](C[5]C[5]CH)(C[5]O[5]CC)(CCO)	C(N[5]C[5]2)(CCHH)(O)	C(CC[6a]CO)(CN[5]O)(H)2	N[5](C[5]C[5]CH)(C[5]O[5]CC)(CCO){2|C<4>}	120.2600	0.000	2	120.2600	0.000	2	117.7925	8.118	4	117.2952	3.827	8	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	4:3:1:1:	4:4:3:	N[5]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CCHH)(O)	C(CC[6a]HN)(CN[5]O)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	C(N[5]C[5]2)(CCHH)(O)	C(CC[6a]HN)(CN[5]O)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){4|H<1>}	115.3250	0.023	2	115.3250	0.001	2	117.7925	8.118	4	117.2952	3.827	8	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	4:3:1:1:	4:4:3:	N[5]-3:C-4:O-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CC[5]HH)(O)	C(C[5]C[5]N[5]H)(CN[5]O)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CCO)	C(N[5]C[5]2)(CC[5]HH)(O)	C(C[5]C[5]N[5]H)(CN[5]O)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CCO){1|C<4>,2|C<3>,3|H<1>}	117.0145	0.415	2	117.0145	0.172	2	117.0145	0.172	2	117.2952	3.827	8	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	4:3:2:1:	4:3:3:	N[5]-3:C-4:O-1:	C-4:C-3:N-2:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CCHN)(O)	C(CC[6a]ClH)(CN[5]O)(NS)(H)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCO)	C(N[5]C[5]2)(CCHN)(O)	C(CC[6a]ClH)(CN[5]O)(NS)(H)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCO){2|C<3>,2|H<1>}	119.5430	0.000	1	119.5430	0.000	1	119.5430	0.000	1	119.5073	0.244	3	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	4:3:2:1:	4:3:3:	N[5]-3:C-4:O-1:	C-4:C-3:O-2:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CCHO)(O)	C(CC[6a]HH)(CN[5]O)(ON[6])(H)	N[5](C[5]C[5]CH)(C[5]O[5]S)(CCO)	C(N[5]C[5]2)(CCHO)(O)	C(CC[6a]HH)(CN[5]O)(ON[6])(H)	N[5](C[5]C[5]CH)(C[5]O[5]S)(CCO){2|H<1>}	119.9820	0.000	1	119.9820	0.000	1	119.4895	0.485	2	119.5073	0.244	3	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	4:3:2:1:	4:3:3:	N[5]-3:C-4:O-1:	C-4:C-3:O-2:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CCHO)(O)	C(CC[6a]HO)(CN[5]O)(OC)(H)	N[5](C[5]C[5]CH)(C[5]N[5]O)(CCO)	C(N[5]C[5]2)(CCHO)(O)	C(CC[6a]HO)(CN[5]O)(OC)(H)	N[5](C[5]C[5]CH)(C[5]N[5]O)(CCO){1|C<4>,2|H<1>}	118.9970	0.000	1	118.9970	0.000	1	119.4895	0.485	2	119.5073	0.244	3	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	4:3:2:1:	4:4:3:	N[5]-3:C-4:O-1:	C-4:C-3:N-2:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CCHN)(O)	C(CC[6a]HH)(CN[5]O)(NC)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	C(N[5]C[5]2)(CCHN)(O)	C(CC[6a]HH)(CN[5]O)(NC)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){4|H<1>}	119.4760	0.000	1	119.4760	0.000	1	119.4760	0.000	1	119.1770	1.118	5	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	4:3:2:1:	4:4:3:	N[5]-3:C-4:O-1:	C-4:C-3:O-2:H-1:	C[5,5,6]-4:S[5]-4:C-3:	C(N[5]C[5,5,6]S[5])(CCHO)(O)	C(CC[6a]HH)(CN[5]O)(OH)(H)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO)	C(N[5]C[5,5,6]S[5])(CCHO)(O)	C(CC[6a]HH)(CN[5]O)(OH)(H)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO){3|C<4>,4|H<1>}	118.5470	0.575	3	118.5470	0.330	3	118.5470	0.330	3	119.1770	1.118	5	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	4:3:2:1:	4:4:3:	N[5]-3:C-4:O-1:	C[5]-4:C-3:O-2:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CC[5]HO)(O)	C(C[5]C[5]O[5]H)(CN[5]O)(OS)(H)	N[5](C[5]C[5]CH)(C[5]S[5]CH)(CCO)	C(N[5]C[5]2)(CC[5]HO)(O)	C(C[5]C[5]O[5]H)(CN[5]O)(OS)(H)	N[5](C[5]C[5]CH)(C[5]S[5]CH)(CCO){2|H<1>}	120.7680	0.000	1	120.7680	0.000	1	120.7680	0.000	1	119.1770	1.118	5	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	4:3:3:1:	4:3:3:	N[5]-3:C-4:O-1:	C-4:C-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CCCH)(O)	C(CC[5a]HH)(CN[5]O)(CCC)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)	C(N[5]C[5]2)(CCCH)(O)	C(CC[5a]HH)(CN[5]O)(CCC)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO){2|H<1>}	119.1505	0.128	2	119.1505	0.016	2	119.5933	0.596	3	118.8370	1.519	6	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	4:3:3:1:	4:3:3:	N[5]-3:C-4:O-1:	C-4:C-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CCCH)(O)	C(CC[6a]HN)(CN[5]O)(CCO)(H)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCO)	C(N[5]C[5]2)(CCCH)(O)	C(CC[6a]HN)(CN[5]O)(CCO)(H)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCO){2|H<1>}	120.4790	0.000	1	120.4790	0.000	1	119.5933	0.596	3	118.8370	1.519	6	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	4:3:3:1:	4:3:3:	N[5]-3:C-4:O-1:	C-4:C-3:N-3:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CCHN)(O)	C(CC[6a]HH)(CN[5]O)(NCH)(H)	N[5](C[5]C[5]CH)(C[5]N[5]O)(CCO)	C(N[5]C[5]2)(CCHN)(O)	C(CC[6a]HH)(CN[5]O)(NCH)(H)	N[5](C[5]C[5]CH)(C[5]N[5]O)(CCO){3|H<1>}	119.4860	0.000	1	119.4860	0.000	1	118.3975	2.370	2	118.8370	1.519	6	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	4:3:3:1:	4:3:3:	N[5]-3:C-4:O-1:	C-4:C-3:N-3:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CCHN)(O)	C(CC[6a]HH)(CN[5]O)(NCH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)	C(N[5]C[5]2)(CCHN)(O)	C(CC[6a]HH)(CN[5]O)(NCH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO){1|C<4>,1|H<1>}	117.3090	0.000	1	117.3090	0.000	1	118.3975	2.370	2	118.8370	1.519	6	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	4:3:3:1:	4:3:3:	N[5]-3:C-4:O-1:	C[5]-4:C-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CC[5]CH)(O)	C(C[5]C[5]2H)(CN[5]O)(COO)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)	C(N[5]C[5]2)(CC[5]CH)(O)	C(C[5]C[5]2H)(CN[5]O)(COO)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO){2|H<1>}	117.4470	0.000	1	117.4470	0.000	1	117.4470	0.000	1	118.8370	1.519	6	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	4:3:3:1:	4:4:3:	N[5]-3:C-4:O-1:	C-4:C-3:C-3:H-1:	C[5,5,6]-4:S[5]-4:C-3:	C(N[5]C[5,5,6]S[5])(CCCH)(O)	C(CC[6a]HH)(CN[5]O)(CCH)(H)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO)	C(N[5]C[5,5,6]S[5])(CCCH)(O)	C(CC[6a]HH)(CN[5]O)(CCH)(H)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO){3|C<4>,4|H<1>}	120.2680	0.000	1	120.2680	0.000	1	120.2680	0.000	1	118.3073	2.790	21	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	4:3:3:1:	4:4:3:	N[5]-3:C-4:O-1:	C-4:C-3:N-3:H-1:	C[5,5]-4:C[5]-4:C-3:	C(N[5]C[5,5]C[5])(CCHN)(O)	C(CC[6a]HH)(CN[5]O)(NCH)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(CCO)	C(N[5]C[5,5]C[5])(CCHN)(O)	C(CC[6a]HH)(CN[5]O)(NCH)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(CCO){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	120.1190	2.807	2	120.1190	7.880	2	120.1190	7.880	2	118.3073	2.790	21	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	4:3:3:1:	4:4:3:	N[5]-3:C-4:O-1:	C-4:C-3:N-3:H-1:	C[5,6]-4:C[5]-4:C-3:	C(N[5]C[5,6]C[5])(CCHN)(O)	C(CC[6a]HH)(CN[5]O)(NCH)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CCO)	C(N[5]C[5,6]C[5])(CCHN)(O)	C(CC[6a]HH)(CN[5]O)(NCH)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CCO){2|C<4>,5|H<1>}	119.2510	0.000	1	119.2510	0.000	1	119.2510	0.000	1	118.3073	2.790	21	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	4:3:3:1:	4:4:3:	N[5]-3:C-4:O-1:	C-4:C-3:N-3:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CCHN)(O)	C(CC[5a]HH)(CN[5]O)(NCH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	C(N[5]C[5]2)(CCHN)(O)	C(CC[5a]HH)(CN[5]O)(NCH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){4|H<1>}	117.3870	0.105	2	117.3870	0.011	2	117.9233	2.132	17	118.3073	2.790	21	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	4:3:3:1:	4:4:3:	N[5]-3:C-4:O-1:	C-4:C-3:N-3:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CCHN)(O)	C(CC[6a]HH)(CN[5]O)(NCC)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	C(N[5]C[5]2)(CCHN)(O)	C(CC[6a]HH)(CN[5]O)(NCC)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){4|H<1>}	119.7270	0.455	2	119.7270	0.207	2	117.9233	2.132	17	118.3073	2.790	21	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	4:3:3:1:	4:4:3:	N[5]-3:C-4:O-1:	C-4:C-3:N-3:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CCHN)(O)	C(CC[6a]HH)(CN[5]O)(NCH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	C(N[5]C[5]2)(CCHN)(O)	C(CC[6a]HH)(CN[5]O)(NCH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){4|H<1>}	118.2590	1.169	7	118.2590	1.366	7	117.9233	2.132	17	118.3073	2.790	21	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	4:3:3:1:	4:4:3:	N[5]-3:C-4:O-1:	C-4:C-3:N-3:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CCHN)(O)	C(CC[6a]HH)(CN[5]O)(NCH)(H)	N[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CCO)	C(N[5]C[5]2)(CCHN)(O)	C(CC[6a]HH)(CN[5]O)(NCH)(H)	N[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CCO){1|N<2>,1|N<3>,4|H<1>}	116.6980	0.305	2	117.6892	0.938	5	117.9233	2.132	17	118.3073	2.790	21	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	4:3:3:1:	4:4:3:	N[5]-3:C-4:O-1:	C-4:C-3:N-3:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CCHN)(O)	C(CC[6a]HH)(CN[5]O)(NCH)(H)	N[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CCO)	C(N[5]C[5]2)(CCHN)(O)	C(CC[6a]HH)(CN[5]O)(NCH)(H)	N[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CCO){1|N<2>,1|S<2>,4|H<1>}	118.3500	0.437	3	117.6892	0.938	5	117.9233	2.132	17	118.3073	2.790	21	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	4:3:3:1:	4:4:3:	N[5]-3:C-4:O-1:	C-4:C-3:N-3:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CCHN)(O)	C(CC[6a]HH)(CN[5]O)(NCH)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CCO)	C(N[5]C[5]2)(CCHN)(O)	C(CC[6a]HH)(CN[5]O)(NCH)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CCO){1|C<4>,2|C<3>,3|H<1>}	114.2090	0.000	1	114.2090	0.000	1	117.9233	2.132	17	118.3073	2.790	21	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	4:3:4:1:	3:4:3:	N[5]-3:C-4:O-1:	C-4:C-3:C-4:F-1:	C[5,6a]-3:C[5]-4:C-3:	C(N[5]C[5,6a]C[5])(CCCF)(O)	C(CC[6a]HN)(CN[5]O)(CF3)(F)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CCO)	C(N[5]C[5,6a]C[5])(CCCF)(O)	C(CC[6a]HN)(CN[5]O)(CF3)(F)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CCO){2|C<3>,2|H<1>}	120.3390	0.000	1	120.3390	0.000	1	120.3390	0.000	1	119.9083	0.172	6	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	4:3:4:1:	3:4:3:	N[5]-3:C-4:O-1:	C-4:C-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C-3:	C(N[5]C[5,6a]C[5])(CCCH)(O)	C(CC[6a]HN)(CN[5]O)(CF3)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CCO)	C(N[5]C[5,6a]C[5])(CCCH)(O)	C(CC[6a]HN)(CN[5]O)(CF3)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CCO){2|C<3>,2|H<1>}	119.5280	0.000	2	119.5280	0.000	2	119.8222	0.159	5	119.9083	0.172	6	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	4:3:4:1:	3:4:3:	N[5]-3:C-4:O-1:	C-4:C-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C-3:	C(N[5]C[5,6a]C[5])(CCCH)(O)	C(CC[6a]HN)(CN[5]O)(CH3)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CCO)	C(N[5]C[5,6a]C[5])(CCCH)(O)	C(CC[6a]HN)(CN[5]O)(CH3)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CCO){2|C<3>,2|H<1>}	120.0183	0.417	3	120.0183	0.174	3	119.8222	0.159	5	119.9083	0.172	6	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	4:3:4:1:	4:3:3:	N[5]-3:C-4:O-1:	C-4:C-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CCCH)(O)	C(CC[3]HO)(CN[5]O)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)	C(N[5]C[5]2)(CCCH)(O)	C(CC[3]HO)(CN[5]O)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO){2|C<4>}	118.7540	0.000	1	118.7540	0.000	1	119.7172	0.628	25	119.6364	0.772	26	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	4:3:4:1:	4:3:3:	N[5]-3:C-4:O-1:	C-4:C-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CCCH)(O)	C(CC[6]HH)(CN[5]O)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)	C(N[5]C[5]2)(CCCH)(O)	C(CC[6]HH)(CN[5]O)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO){2|H<1>}	119.9080	0.000	2	119.9080	0.000	2	119.7172	0.628	25	119.6364	0.772	26	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	4:3:4:1:	4:3:3:	N[5]-3:C-4:O-1:	C-4:C-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CCCH)(O)	C(CC[6a]2H)(CN[5]O)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]S[5]S)(CCO)	C(N[5]C[5]2)(CCCH)(O)	C(CC[6a]2H)(CN[5]O)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]S[5]S)(CCO){2|H<1>}	121.4370	0.000	1	121.4370	0.000	1	119.7172	0.628	25	119.6364	0.772	26	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	4:3:4:1:	4:3:3:	N[5]-3:C-4:O-1:	C-4:C-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CCCH)(O)	C(CC[6a]HH)(CN[5]O)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)	C(N[5]C[5]2)(CCCH)(O)	C(CC[6a]HH)(CN[5]O)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO){1|C<3>,1|H<1>}	119.3480	0.000	1	119.3655	0.001	2	119.7172	0.628	25	119.6364	0.772	26	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	4:3:4:1:	4:3:3:	N[5]-3:C-4:O-1:	C-4:C-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CCCH)(O)	C(CC[6a]HH)(CN[5]O)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)	C(N[5]C[5]2)(CCCH)(O)	C(CC[6a]HH)(CN[5]O)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO){2|C<3>}	119.3830	0.000	1	119.3655	0.001	2	119.7172	0.628	25	119.6364	0.772	26	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	4:3:4:1:	4:3:3:	N[5]-3:C-4:O-1:	C-4:C-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CCCH)(O)	C(CC[6a]HN)(CN[5]O)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)	C(N[5]C[5]2)(CCCH)(O)	C(CC[6a]HN)(CN[5]O)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO){2|H<1>}	119.7810	0.548	4	119.7810	0.300	4	119.7172	0.628	25	119.6364	0.772	26	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	4:3:4:1:	4:3:3:	N[5]-3:C-4:O-1:	C-4:C-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CCCH)(O)	C(CC[6a]HN)(CN[5]O)(CF3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)	C(N[5]C[5]2)(CCCH)(O)	C(CC[6a]HN)(CN[5]O)(CF3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO){2|H<1>}	118.9695	0.141	2	118.9695	0.020	2	119.7172	0.628	25	119.6364	0.772	26	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	4:3:4:1:	4:3:3:	N[5]-3:C-4:O-1:	C-4:C-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CCCH)(O)	C(CC[6a]HN)(CN[5]O)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]S[5]S)(CCO)	C(N[5]C[5]2)(CCCH)(O)	C(CC[6a]HN)(CN[5]O)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]S[5]S)(CCO){2|H<1>}	121.2060	0.020	2	121.2060	0.000	2	119.7172	0.628	25	119.6364	0.772	26	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	4:3:4:1:	4:3:3:	N[5]-3:C-4:O-1:	C-4:C-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CCCH)(O)	C(CC[6a]HO)(CN[5]O)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)	C(N[5]C[5]2)(CCCH)(O)	C(CC[6a]HO)(CN[5]O)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO){2|H<1>}	119.0960	0.000	1	119.0960	0.000	1	119.7172	0.628	25	119.6364	0.772	26	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	4:3:4:1:	4:3:3:	N[5]-3:C-4:O-1:	C-4:C-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CCCH)(O)	C(CC[6a]HO)(CN[5]O)(CF3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)	C(N[5]C[5]2)(CCCH)(O)	C(CC[6a]HO)(CN[5]O)(CF3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO){2|H<1>}	119.5260	1.254	2	119.5260	1.574	2	119.7172	0.628	25	119.6364	0.772	26	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	4:3:4:1:	4:3:3:	N[5]-3:C-4:O-1:	C-4:C-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CCCH)(O)	C(CC[6a]HO)(CN[5]O)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)	C(N[5]C[5]2)(CCCH)(O)	C(CC[6a]HO)(CN[5]O)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO){2|H<1>}	119.3435	0.764	2	119.3435	0.584	2	119.7172	0.628	25	119.6364	0.772	26	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	4:3:4:1:	4:3:3:	N[5]-3:C-4:O-1:	C-4:C-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CCCH)(O)	C(CC[6a]HO)(CN[5]O)(CH3)(H)	N[5](C[5]C[5]HH)(C[5]S[5]S)(CCO)	C(N[5]C[5]2)(CCCH)(O)	C(CC[6a]HO)(CN[5]O)(CH3)(H)	N[5](C[5]C[5]HH)(C[5]S[5]S)(CCO){2|H<1>}	119.3527	0.351	3	119.3527	0.123	3	119.7172	0.628	25	119.6364	0.772	26	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	4:3:4:1:	4:3:3:	N[5]-3:C-4:O-1:	C-4:C-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CCCH)(O)	C(CC[6a]HO)(CN[5]O)(CHHI)(H)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCO)	C(N[5]C[5]2)(CCCH)(O)	C(CC[6a]HO)(CN[5]O)(CHHI)(H)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCO){2|C<3>,2|H<1>}	120.5740	0.000	1	120.5740	0.000	1	119.7172	0.628	25	119.6364	0.772	26	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	4:3:4:1:	4:3:3:	N[5]-3:C-4:O-1:	C-4:C-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CCCH)(O)	C(CC[6a]HO)(CN[5]O)(CHHN)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)	C(N[5]C[5]2)(CCCH)(O)	C(CC[6a]HO)(CN[5]O)(CHHN)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO){2|C<4>}	119.4340	0.000	1	119.4340	0.000	1	119.7172	0.628	25	119.6364	0.772	26	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	4:3:4:1:	4:3:3:	N[5]-3:C-4:O-1:	C-4:C-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CCCH)(O)	C(CN[5]CH)(CN[5]O)(CCHO)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)	C(N[5]C[5]2)(CCCH)(O)	C(CN[5]CH)(CN[5]O)(CCHO)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO){2|H<1>}	119.8160	0.000	1	119.8160	0.000	1	119.7172	0.628	25	119.6364	0.772	26	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	4:3:4:1:	4:3:3:	N[5]-3:C-4:O-1:	C[6]-4:C-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CC[6]CH)(O)	C(C[6]C[6]O[6]H)(CN[5]O)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)	C(N[5]C[5]2)(CC[6]CH)(O)	C(C[6]C[6]O[6]H)(CN[5]O)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO){2|H<1>}	117.6160	0.000	1	117.6160	0.000	1	117.6160	0.000	1	119.6364	0.772	26	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	4:3:4:1:	4:4:3:	N[5]-3:C-4:O-1:	C-4:C-3:N-4:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CCHN)(O)	C(CC[6a]HH)(CN[5]O)(NH3)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	C(N[5]C[5]2)(CCHN)(O)	C(CC[6a]HH)(CN[5]O)(NH3)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){4|H<1>}	119.0750	0.000	1	119.0750	0.000	1	119.0750	0.000	1	119.6863	1.562	4	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	4:3:4:1:	4:4:3:	N[5]-3:C-4:O-1:	C[5]-4:C-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CC[5]CH)(O)	C(C[5]C[5]N[5]H)(CN[5]O)(CH3)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CCO)	C(N[5]C[5]2)(CC[5]CH)(O)	C(C[5]C[5]N[5]H)(CN[5]O)(CH3)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CCO){1|C<4>,2|C<3>,3|H<1>}	120.6370	0.916	2	120.6370	0.840	2	120.6370	0.840	2	119.6863	1.562	4	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:1:	4:3:4:1:	4:4:3:	N[5]-3:C-4:O-1:	C[6]-4:C-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CC[6]CH)(O)	C(C[6]C[6]2H)(CN[5]O)(CCHH)(H)	N[5](C[5]C[5]HH)2(CCO)	C(N[5]C[5]2)(CC[6]CH)(O)	C(C[6]C[6]2H)(CN[5]O)(CCHH)(H)	N[5](C[5]C[5]HH)2(CCO){4|H<1>}	118.3960	0.000	1	118.3960	0.000	1	118.3960	0.000	1	119.6863	1.562	4	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:2:	3:1:1:1:	3:3:3:	N[5]-3:C-4:N-2:	C-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C(N[5]C[5]2)(CH3)(NC)	C(CN[5]N)(H)3	N[5](C[5]C[5]O)2(CCN)	C(N[5]C[5]2)(CH3)(NC)	C(CN[5]N)(H)3	N[5](C[5]C[5]O)2(CCN){2|H<1>}	112.5820	0.000	1	112.5820	0.000	1	115.8625	21.523	2	115.8625	21.523	2	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:2:	3:1:1:1:	3:3:3:	N[5]-3:C-4:N-2:	C-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C(N[5]C[5]2)(CH3)(NIr)	C(CN[5]N)(H)3	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCN)	C(N[5]C[5]2)(CH3)(NIr)	C(CN[5]N)(H)3	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCN){1|C<4>,1|H<1>}	119.1430	0.000	1	119.1430	0.000	1	115.8625	21.523	2	115.8625	21.523	2	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:2:	3:1:1:1:	3:4:3:	N[5]-3:C-4:N-2:	C-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-3:	C(N[5]C[5,6a]C[5])(CH3)(NS)	C(CN[5]N)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCN)	C(N[5]C[5,6a]C[5])(CH3)(NS)	C(CN[5]N)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCN){2|C<3>,3|H<1>}	116.1160	0.000	1	116.1160	0.000	1	116.1160	0.000	1	116.5735	0.419	2	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:2:	3:1:1:1:	3:4:3:	N[5]-3:C-4:O-2:	C-3:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C-3:	C(N[5]C[5,6]C[5])(CH3)(OCu)	C(CN[5]O)(H)3	N[5](C[5,6]C[5,6]N[6])(C[5]C[5]HH)(CCO)	C(N[5]C[5,6]C[5])(CH3)(OCu)	C(CN[5]O)(H)3	N[5](C[5,6]C[5,6]N[6])(C[5]C[5]HH)(CCO){1|Cu<4>,2|C<3>,2|H<1>}	117.0310	0.000	1	117.0310	0.000	1	117.0310	0.000	1	116.5735	0.419	2	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:2:	3:1:1:1:	4:4:3:	N[5]-3:C-4:N-2:	C-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CH3)(NC)	C(CN[5]N)(H)3	N[5](C[5]C[5]HH)2(CCN)	C(N[5]C[5]2)(CH3)(NC)	C(CN[5]N)(H)3	N[5](C[5]C[5]HH)2(CCN){1|O<2>,3|H<1>}	117.0100	0.000	1	117.0100	0.000	1	117.0100	0.000	1	118.4373	2.568	3	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:2:	3:1:1:1:	4:4:3:	N[5]-3:C-4:O-2:	C-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CH3)(OPd)	C(CN[5]O)(H)3	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	C(N[5]C[5]2)(CH3)(OPd)	C(CN[5]O)(H)3	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){2|C<4>,2|H<1>}	119.1510	1.442	2	119.1510	2.081	2	119.1510	2.081	2	118.4373	2.568	3	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:2:	3:3:1:1:	4:3:3:	N[5]-3:C-4:N-2:	C[6a]-3:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CC[6a]HH)(NC[6a])	C(C[6a]C[6a]2)(CN[5]N)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCN)	C(N[5]C[5]2)(CC[6a]HH)(NC[6a])	C(C[6a]C[6a]2)(CN[5]N)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCN){2|H<1>}	118.3620	0.000	1	118.3620	0.000	1	118.3620	0.000	1	118.3620	0.000	1	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:3:	3:1:1:1:	3:3:3:	N[5]-3:C-4:C-3:	C-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C(N[5]C[5]2)(CH3)(CCH)	C(CN[5]C)(H)3	N[5](C[5]C[5,6a]O)2(CCC)	C(N[5]C[5]2)(CH3)(CCH)	C(CN[5]C)(H)3	N[5](C[5]C[5,6a]O)2(CCC){2|C<3>}	115.8990	0.000	1	115.8990	0.000	1	115.8990	0.000	1	115.8990	0.000	1	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:3:	3:1:1:1:	3:4:3:	N[5]-3:C-4:C-3:	C-3:H-1:H-1:H-1:	C[5,6a]-3:Ga[5]-4:C-3:	C(N[5]C[5,6a]Ga[5])(CH3)(CCN)	C(CN[5]C)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(Ga[5]O[5]CC)(CCC)	C(N[5]C[5,6a]Ga[5])(CH3)(CCN)	C(CN[5]C)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(Ga[5]O[5]CC)(CCC){1|H<1>,2|C<3>}	125.6830	0.000	1	125.6830	0.000	1	125.6830	0.000	1	125.6830	0.000	1	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:3:	3:1:1:1:	4:4:3:	N[5]-3:C-4:N-3:	C-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CH3)(NHH)	C(CN[5]N)(H)3	N[5](C[5]C[5]HH)2(CCN)	C(N[5]C[5]2)(CH3)(NHH)	C(CN[5]N)(H)3	N[5](C[5]C[5]HH)2(CCN){4|H<1>}	118.6530	0.000	1	118.6530	0.000	1	118.6530	0.000	1	118.6530	0.000	1	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:3:	3:3:1:1:	4:4:3:	N[5]-3:C-4:C-3:	N[5a]-3:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CN[5a]HH)(CCH)	C(N[5a]C[5a]N[5a])(CN[5]C)(H)2	N[5](C[5]C[5]HH)2(CCC)	C(N[5]C[5]2)(CN[5a]HH)(CCH)	C(N[5a]C[5a]N[5a])(CN[5]C)(H)2	N[5](C[5]C[5]HH)2(CCC){4|H<1>}	117.0100	0.000	1	117.0100	0.000	1	117.0100	0.000	1	117.0100	0.000	1	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:3:	3:3:3:1:	4:3:3:	N[5]-3:C-4:C-3:	C[6a]-3:C-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C(N[5]C[5]2)(CC[6a]CH)(CCC)	C(C[6a]C[6a]2)(CN[5]C)(CCC)(H)	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CCC)	C(N[5]C[5]2)(CC[6a]CH)(CCC)	C(C[6a]C[6a]2)(CN[5]C)(CCC)(H)	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CCC){1|C<3>,2|H<1>}	118.0860	0.000	1	118.0860	0.000	1	118.0860	0.000	1	118.0860	0.000	1	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:3:	3:4:1:1:	4:4:3:	N[5]-3:C-4:C-3:	C-3:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CCHH)(CCC)	C(CN[5]C)(CCHH)(H)2	N[5](C[5]C[5]HH)2(CCC)	C(N[5]C[5]2)(CCHH)(CCC)	C(CN[5]C)(CCHH)(H)2	N[5](C[5]C[5]HH)2(CCC){4|H<1>}	115.7340	0.000	1	115.7340	0.000	1	115.7340	0.000	1	115.7340	0.000	1	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:4:	3:1:1:1:	4:4:3:	N[5]-3:C-4:C-4:	C-3:H-1:H-1:H-1:	P[5]-4:C[5]-4:C-3:	C(N[5]C[5]P[5])(CH3)2	C(CN[5]C)(H)3	N[5](P[5]C[5,6]N[5]Rh)(C[5]C[5]HH)(CCC)	C(N[5]C[5]P[5])(CH3)2	C(CN[5]C)(H)3	N[5](P[5]C[5,6]N[5]Rh)(C[5]C[5]HH)(CCC){1|C<3>,2|C<4>,2|H<1>}	118.5310	2.591	2	118.5310	6.712	2	118.5310	6.712	2	118.5310	6.712	2	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:4:	3:1:1:1:	6:3:3:	N[5]-3:C-4:C-4:	C-3:H-1:H-1:H-1:	Si[5,5]-6:N[5]-3:C-3:	C(N[5]Si[5,5]N[5])(CH3)2	C(CN[5]C)(H)3	N[5](Si[5,5]N[5]O[5]2Br2)(N[5]C[5]H)(CCC)	C(N[5]Si[5,5]N[5])(CH3)2	C(CN[5]C)(H)3	N[5](Si[5,5]N[5]O[5]2Br2)(N[5]C[5]H)(CCC){1|N<3>,3|C<3>}	122.0800	0.748	2	122.0800	0.560	2	122.0800	0.560	2	122.0800	0.560	2	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:4:	3:4:1:1:	3:3:3:	N[5]-3:C-4:C-4:	C-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C(N[5]C[5]2)(CCHH)2	C(CN[5]C)(CCHH)(H)2	N[5](C[5]C[5,6a]O)2(CCC)	C(N[5]C[5]2)(CCHH)2	C(CN[5]C)(CCHH)(H)2	N[5](C[5]C[5,6a]O)2(CCC){2|C<3>}	114.1865	1.804	2	114.1865	3.254	2	114.1865	3.254	2	114.1865	3.254	2	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	3:4:4:	3:4:4:1:	4:2:3:	N[5]-3:C-4:C-4:	C-3:C-4:C-4:H-1:	C[5,5,6]-4:N[5]-2:C-3:	C(N[5]C[5,5,6]N[5])(CCCH)2	C(CN[5]C)(CH3)2(H)	N[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5])(CCC)	C(N[5]C[5,5,6]N[5])(CCCH)2	C(CN[5]C)(CH3)2(H)	N[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5])(CCC){1|O<1>,2|H<1>,3|C<4>}	120.9445	0.415	2	120.9445	0.172	2	120.9445	0.172	2	120.9445	0.172	2	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	4:3:1:	3:4:3:1:	4:3:3:	C-4:N[5]-3:O-1:	C[6a]-3:C[6]-4:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C(CC[6a]C[6]H)(N[5]C[5]2)(O)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CN[5]O)(H)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCO)	C(CC[6a]C[6]H)(N[5]C[5]2)(O)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CN[5]O)(H)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCO){2|H<1>}	120.2710	1.023	3	120.2710	1.047	3	120.2710	1.047	3	120.2710	1.047	3	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP2_SP3	C	C	N[5]	4:3:1:	6:3:1:1:	4:4:3:	C-4:N[5]-3:O-1:	C[5x3,5x5,20x6]-6:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C(CC[5x3,5x5,20x6]HH)(N[5]C[5]2)(O)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CN[5]O)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	C(CC[5x3,5x5,20x6]HH)(N[5]C[5]2)(O)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CN[5]O)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){4|H<1>}	115.7620	0.000	1	115.7620	0.000	1	115.7620	0.000	1	115.7620	0.000	1	118.2610	3.071	824	118.2537	3.069	829
930	490	542	0:SP2_SP3_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:2:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-3:	C(N[5]C[5]N[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CCO)	C(N[5]C[5]N[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CCO){2|H<1>,3|C<3>}	117.3470	0.000	1	117.3470	0.000	1	117.1995	0.044	2	117.1995	0.044	2	117.8923	1.576	23	117.8923	1.576	23
930	490	542	0:SP2_SP3_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:2:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-3:	C(N[5]C[5]N[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[6a]O[5]H)(N[5]C[5])(CCO)	C(N[5]C[5]N[5])(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[6a]O[5]H)(N[5]C[5])(CCO){3|C<3>}	117.0520	0.000	1	117.0520	0.000	1	117.1995	0.044	2	117.1995	0.044	2	117.8923	1.576	23	117.8923	1.576	23
930	490	542	0:SP2_SP3_SP3	C	C	N[5]	3:4:1:	3:1:1:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C(N[5]C[5]2)(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[5]C[6]H)(C[5]C[6]N[5]H)(CCO)	C(N[5]C[5]2)(CH3)(O)	C(CN[5]O)(H)3	N[5](C[5]C[5]C[6]H)(C[5]C[6]N[5]H)(CCO){1|Fe<6>,1|C<4>,1|H<1>,2|N<3>,3|C<3>}	117.4260	0.000	1	117.4260	0.000	1	117.4260	0.000	1	117.4260	0.000	1	117.8923	1.576	23	117.8923	1.576	23
930	490	542	0:SP2_SP3_SP3	C	C	N[5]	3:4:1:	3:2:1:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:S-2:H-1:H-1:	C[5,5,6]-4:S[5]-4:C-3:	C(N[5]C[5,5,6]S[5])(CHHS)(O)	C(CN[5]O)(SC[6a])(H)2	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO)	C(N[5]C[5,5,6]S[5])(CHHS)(O)	C(CN[5]O)(SC[6a])(H)2	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO){3|C<4>,4|H<1>}	117.5570	0.000	1	117.5570	0.000	1	117.5570	0.000	1	117.5570	0.000	1	117.8923	1.576	23	117.8923	1.576	23
930	490	542	0:SP2_SP3_SP3	C	C	N[5]	3:4:1:	3:3:1:1:	4:3:3:	N[5]-3:C-4:O-1:	N[5a]-3:C-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:	C(N[5]C[5]N[5])(CN[5a]HH)(O)	C(N[5a]C[5a]N[5a])(CN[5]O)(H)2	N[5](C[5]N[5]HH)(N[5]C[5]H)(CCO)	C(N[5]C[5]N[5])(CN[5a]HH)(O)	C(N[5a]C[5a]N[5a])(CN[5]O)(H)2	N[5](C[5]N[5]HH)(N[5]C[5]H)(CCO){1|C<3>,1|S<1>}	116.7400	0.000	1	116.7400	0.000	1	116.7400	0.000	1	116.7400	0.000	1	117.8923	1.576	23	117.8923	1.576	23
930	490	542	0:SP2_SP3_SP3	C	C	N[5]	3:4:1:	3:3:2:1:	4:3:3:	N[5]-3:C-4:O-1:	C[6a]-3:C-3:O-2:H-1:	C[5,6,6]-4:C[5]-3:C-3:	C(N[5]C[5,6,6]C[5])(CC[6a]HO)(O)	C(C[6a]C[6a]2)(CN[5]O)(OC)(H)	N[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]O[5]O)(CCO)	C(N[5]C[5,6,6]C[5])(CC[6a]HO)(O)	C(C[6a]C[6a]2)(CN[5]O)(OC)(H)	N[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]O[5]O)(CCO){1|H<1>,4|C<4>}	117.1010	0.000	1	117.1010	0.000	1	117.1010	0.000	1	117.1010	0.000	1	117.8923	1.576	23	117.8923	1.576	23
930	490	542	0:SP2_SP3_SP3	C	C	N[5]	3:4:1:	3:3:4:1:	3:3:3:	N[5]-3:C-4:O-1:	C[6a]-3:C-3:C-4:H-1:	C[5]-3:N[5]-3:C-3:	C(N[5]C[5]N[5])(CC[6a]CH)(O)	C(C[6a]C[6a]2)(CN[5]O)(CH3)(H)	N[5](C[5]C[5]O)(N[5]C[5]H)(CCO)	C(N[5]C[5]N[5])(CC[6a]CH)(O)	C(C[6a]C[6a]2)(CN[5]O)(CH3)(H)	N[5](C[5]C[5]O)(N[5]C[5]H)(CCO){1|C<4>,3|H<1>}	116.1840	0.000	1	116.1840	0.000	1	116.1840	0.000	1	116.1840	0.000	1	117.8923	1.576	23	117.8923	1.576	23
930	490	542	0:SP2_SP3_SP3	C	C	N[5]	3:4:1:	3:3:4:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:C-3:C-4:H-1:	C[5,5,6]-4:S[5]-4:C-3:	C(N[5]C[5,5,6]S[5])(CCCH)(O)	C(CC[6a]O)(CN[5]O)(CH3)(H)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO)	C(N[5]C[5,5,6]S[5])(CCCH)(O)	C(CC[6a]O)(CN[5]O)(CH3)(H)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO){3|C<4>,4|H<1>}	118.8420	0.000	1	118.8420	0.000	1	118.8420	0.000	1	118.8420	0.000	1	117.8923	1.576	23	117.8923	1.576	23
930	490	542	0:SP2_SP3_SP3	C	C	N[5]	3:4:1:	3:4:1:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[5,5,6]-4:S[5]-4:C-3:	C(N[5]C[5,5,6]S[5])(CCHH)(O)	C(CN[5]O)(CCCH)(H)2	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO)	C(N[5]C[5,5,6]S[5])(CCHH)(O)	C(CN[5]O)(CCCH)(H)2	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO){3|C<4>,4|H<1>}	118.4010	0.000	1	118.4010	0.000	1	118.4010	0.000	1	118.4010	0.000	1	117.8923	1.576	23	117.8923	1.576	23
930	490	542	0:SP2_SP3_SP3	C	C	N[5]	3:4:1:	3:4:3:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:C-4:N-3:H-1:	C[5,5,6]-4:S[5]-4:C-3:	C(N[5]C[5,5,6]S[5])(CCHN)(O)	C(CN[5]O)(CCCH)(NHO)(H)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO)	C(N[5]C[5,5,6]S[5])(CCHN)(O)	C(CN[5]O)(CCCH)(NHO)(H)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO){3|C<4>,4|H<1>}	118.0845	1.753	2	118.0845	3.073	2	118.0845	3.073	2	118.0845	3.073	2	117.8923	1.576	23	117.8923	1.576	23
930	490	542	0:SP2_SP3_SP3	C	C	N[5]	3:4:1:	3:4:4:1:	4:2:3:	N[5]-3:C-4:O-1:	C-3:C-4:C-4:H-1:	C[5,6]-4:O[5]-2:C-3:	C(N[5]C[5,6]O[5])(CCCH)(O)	C(CN[5]O)(CCHH)(CH3)(H)	N[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(CCO)	C(N[5]C[5,6]O[5])(CCCH)(O)	C(CN[5]O)(CCHH)(CH3)(H)	N[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(CCO){1|C<4>,2|C<3>,3|H<1>}	116.2620	0.000	1	116.2620	0.000	1	116.2620	0.000	1	116.2620	0.000	1	117.8923	1.576	23	117.8923	1.576	23
930	490	542	0:SP2_SP3_SP3	C	C	N[5]	3:4:1:	3:4:4:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:C-4:C-4:H-1:	C[5,5,6]-4:S[5]-4:C-3:	C(N[5]C[5,5,6]S[5])(CCCH)(O)	C(CN[5]O)(CCCH)(CCHO)(H)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO)	C(N[5]C[5,5,6]S[5])(CCCH)(O)	C(CN[5]O)(CCCH)(CCHO)(H)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO){3|C<4>,4|H<1>}	118.7430	0.000	1	118.7430	0.000	1	118.2950	0.223	4	118.2950	0.223	4	117.8923	1.576	23	117.8923	1.576	23
930	490	542	0:SP2_SP3_SP3	C	C	N[5]	3:4:1:	3:4:4:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:C-4:C-4:H-1:	C[5,5,6]-4:S[5]-4:C-3:	C(N[5]C[5,5,6]S[5])(CCCH)(O)	C(CN[5]O)(CCCO)(CH3)(H)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO)	C(N[5]C[5,5,6]S[5])(CCCH)(O)	C(CN[5]O)(CCCO)(CH3)(H)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO){3|C<4>,4|H<1>}	118.2770	0.000	1	118.2770	0.000	1	118.2950	0.223	4	118.2950	0.223	4	117.8923	1.576	23	117.8923	1.576	23
930	490	542	0:SP2_SP3_SP3	C	C	N[5]	3:4:1:	3:4:4:1:	4:4:3:	N[5]-3:C-4:O-1:	C-3:C-4:C-4:H-1:	C[5,5,6]-4:S[5]-4:C-3:	C(N[5]C[5,5,6]S[5])(CCCH)(O)	C(CN[5]O)(CCHH)(CCHO)(H)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO)	C(N[5]C[5,5,6]S[5])(CCCH)(O)	C(CN[5]O)(CCHH)(CCHO)(H)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO){3|C<4>,4|H<1>}	118.0800	0.614	2	118.0800	0.377	2	118.2950	0.223	4	118.2950	0.223	4	117.8923	1.576	23	117.8923	1.576	23
930	490	542	0:SP2_SP3_SP3	C	C	N[5]	3:4:1:	3:4:4:4:	3:4:3:	N[5]-3:C-4:O-1:	C-3:C-4:C-4:C-4:	C[5,6a]-3:C[5]-4:C-3:	C(N[5]C[5,6a]C[5])(CC3)(O)	C(CN[5]O)(CH3)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO)	C(N[5]C[5,6a]C[5])(CC3)(O)	C(CN[5]O)(CH3)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO){2|C<4>,3|C<3>}	118.6060	0.000	1	118.6060	0.000	1	118.6060	0.000	1	118.6060	0.000	1	117.8923	1.576	23	117.8923	1.576	23
930	490	542	0:SP2_SP3_SP3	C	C	N[5]	3:4:1:	4:3:1:1:	4:4:3:	N[5]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[5,5,6]-4:S[5]-4:C-3:	C(N[5]C[5,5,6]S[5])(CCHH)(O)	C(CC[6a]CH)(CN[5]O)(H)2	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO)	C(N[5]C[5,5,6]S[5])(CCHH)(O)	C(CC[6a]CH)(CN[5]O)(H)2	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO){3|C<4>,4|H<1>}	118.2573	0.671	3	118.2573	0.451	3	118.2573	0.451	3	119.1813	3.715	4	117.8923	1.576	23	117.8923	1.576	23
930	490	542	0:SP2_SP3_SP3	C	C	N[5]	3:4:1:	4:3:1:1:	4:4:3:	N[5]-3:C-4:O-1:	C[6]-4:C-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-3:	C(N[5]C[5,5,6]C[5])(CC[6]HH)(O)	C(C[6]C[6]2H)(CN[5]O)(H)2	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]C[5]HH)(CCO)	C(N[5]C[5,5,6]C[5])(CC[6]HH)(O)	C(C[6]C[6]2H)(CN[5]O)(H)2	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]C[5]HH)(CCO){2|C<4>,3|C<3>,4|H<1>}	121.9530	0.000	1	121.9530	0.000	1	121.9530	0.000	1	119.1813	3.715	4	117.8923	1.576	23	117.8923	1.576	23
930	490	542	0:SP2_SP3_SP3	C	C	N[5]	3:4:1:	4:3:2:1:	4:4:3:	N[5]-3:C-4:O-1:	C[5]-4:C-3:O-2:H-1:	C[5,5,6]-4:S[5]-4:C-3:	C(N[5]C[5,5,6]S[5])(CC[5]HO)(O)	C(C[5]C[5]O[5]H)(CN[5]O)(OH)(H)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO)	C(N[5]C[5,5,6]S[5])(CC[5]HO)(O)	C(C[5]C[5]O[5]H)(CN[5]O)(OH)(H)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO){3|C<4>,4|H<1>}	116.6820	0.000	1	116.6820	0.000	1	116.6820	0.000	1	116.6820	0.000	1	117.8923	1.576	23	117.8923	1.576	23
930	490	542	0:SP2_SP3_SP3	C	C	N[5]	3:4:1:	4:3:3:1:	4:4:3:	N[5]-3:C-4:O-1:	C-4:C-3:C-3:H-1:	C[5,5,6]-4:S[5]-4:C-3:	C(N[5]C[5,5,6]S[5])(CCCH)(O)	C(CC[6a]HH)(CN[5]O)(CHN)(H)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO)	C(N[5]C[5,5,6]S[5])(CCCH)(O)	C(CC[6a]HH)(CN[5]O)(CHN)(H)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO){3|C<4>,4|H<1>}	117.2500	0.000	1	117.2500	0.000	1	117.2500	0.000	1	117.2500	0.000	1	117.8923	1.576	23	117.8923	1.576	23
930	490	610	0:SP2_SP3_SP3	C	C	B	3:4:4:	3:1:1:1:	3:3:3:1:	C[5]-3:B-4:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:H-1:	C(C[5]P[5]2)(BC[6a]2H)(CH3)	C(CC[5]B)(H)3	B(C[6a]C[6a]2)2(CC[5]C)(H)	C(C[5]P[5]2)(BC[6a]2H)(CH3)	C(CC[5]B)(H)3	B(C[6a]C[6a]2)2(CC[5]C)(H)	118.9800	0.000	1	118.9800	0.000	1	118.9800	0.000	1	118.9800	0.000	1	117.7352	8.506	11	117.7352	8.506	11
930	490	610	0:SP2_SP3_SP3	C	C	B	4:2:4:	3:1:1:1:	3:3:3:3:	B-4:C-2:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(BC[6a]3)(CN[6])(CH3)	C(CBC)(H)3	B(C[6a]C[6a]2)3(CCC)	C(BC[6a]3)(CN[6])(CH3)	C(CBC)(H)3	B(C[6a]C[6a]2)3(CCC)	116.0790	0.000	1	116.0790	0.000	1	116.0790	0.000	1	116.0790	0.000	1	117.7352	8.506	11	117.7352	8.506	11
930	490	610	0:SP2_SP3_SP3	C	C	B	4:2:4:	3:1:1:1:	3:3:4:3:	B-4:C-2:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-3:	C(BC[6a]2C)(CN[6])(CH3)	C(CBC)(H)3	B(C[6a]C[6a]2)2(CCHH)(CCC)	C(BC[6a]2C)(CN[6])(CH3)	C(CBC)(H)3	B(C[6a]C[6a]2)2(CCHH)(CCC)	121.9290	0.000	1	121.9290	0.000	1	121.9290	0.000	1	121.9290	0.000	1	117.7352	8.506	11	117.7352	8.506	11
930	490	610	0:SP2_SP3_SP3	C	C	B	4:3:4:	3:1:1:1:	3:3:3:2:	B-4:C-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:C-2:	C(BC[6a]2C)(CC[6a]P)(CH3)	C(CBC)(H)3	B(C[6a]C[6a]2)2(CCC)(CN)	C(BC[6a]2C)(CC[6a]P)(CH3)	C(CBC)(H)3	B(C[6a]C[6a]2)2(CCC)(CN)	115.7050	0.000	1	115.7050	0.000	1	115.7050	0.000	1	115.7050	0.000	1	117.7352	8.506	11	117.7352	8.506	11
930	490	610	0:SP2_SP3_SP3	C	C	B	4:3:4:	4:3:1:1:	3:3:3:2:	B-4:C-3:C-4:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:C-2:	C(BC[6a]2C)(CC[6a]Si)(CCHH)	C(CHHP)(CBC)(H)2	B(C[6a]C[6a]2)2(CCC)(CN)	C(BC[6a]2C)(CC[6a]Si)(CCHH)	C(CHHP)(CBC)(H)2	B(C[6a]C[6a]2)2(CCC)(CN)	115.1730	0.000	1	115.1730	0.000	1	115.1730	0.000	1	115.1730	0.000	1	117.7352	8.506	11	117.7352	8.506	11
930	490	610	0:SP2_SP3_SP3	C	C	B	4:4:2:	3:1:1:1:	3:3:3:1:	B-4:C-4:O-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:H-1:	C(BC[6a]2H)(CH3)(OZr)	C(CBO)(H)3	B(C[6a]C[6a]2)2(CCO)(H)	C(BC[6a]2H)(CH3)(OZr)	C(CBO)(H)3	B(C[6a]C[6a]2)2(CCO)(H)	120.3600	0.000	1	120.3600	0.000	1	120.3600	0.000	1	120.3600	0.000	1	117.7352	8.506	11	117.7352	8.506	11
930	490	610	0:SP2_SP3_SP3	C	C	B	4:4:2:	3:1:1:1:	3:3:3:3:	B-4:C-4:C-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(BC[6a]3)(CH3)(CC)	C(CBC)(H)3	B(C[6a]C[6a]2)3(CCC)	C(BC[6a]3)(CH3)(CC)	C(CBC)(H)3	B(C[6a]C[6a]2)3(CCC)	118.1930	0.000	1	118.1930	0.000	1	118.1930	0.000	1	118.1930	0.000	1	117.7352	8.506	11	117.7352	8.506	11
930	490	610	0:SP2_SP3_SP3	C	C	B	4:4:2:	4:3:1:1:	3:3:3:3:	B-4:C-4:C-2:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(BC[6a]3)(CCHH)(CC)	C(CCHH)(CBC)(H)2	B(C[6a]C[6a]2)3(CCC)	C(BC[6a]3)(CCHH)(CC)	C(CCHH)(CBC)(H)2	B(C[6a]C[6a]2)3(CCC)	117.1155	0.293	2	117.1155	0.086	2	117.1155	0.086	2	117.1155	0.086	2	117.7352	8.506	11	117.7352	8.506	11
930	490	610	0:SP2_SP3_SP3	C	C	B	4:4:3:	3:1:1:1:	3:3:3:3:	B-4:C-4:C-3:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(BC[6a]3)(CH3)(CCP)	C(CBC)(H)3	B(C[6a]C[6a]2)3(CCC)	C(BC[6a]3)(CH3)(CCP)	C(CBC)(H)3	B(C[6a]C[6a]2)3(CCC)	112.5280	0.000	1	112.5280	0.000	1	112.5280	0.000	1	112.5280	0.000	1	117.7352	8.506	11	117.7352	8.506	11
930	490	610	0:SP2_SP3_SP3	C	C	B	4:4:3:	4:3:1:1:	3:3:3:3:	B-4:C-4:C-3:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(BC[6a]3)(CCHH)(CCP)	C(CCHH)(CBC)(H)2	B(C[6a]C[6a]2)3(CCC)	C(BC[6a]3)(CCHH)(CCP)	C(CCHH)(CBC)(H)2	B(C[6a]C[6a]2)3(CCC)	121.9090	0.000	1	121.9090	0.000	1	121.9090	0.000	1	121.9090	0.000	1	117.7352	8.506	11	117.7352	8.506	11
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:2:4:	3:1:1:1:	2:3:3:	C[6a]-3:N-2:C-4:	C-3:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:C-3:	C(C[6a]C[6a]N[6a])(NC[6a])(CH3)	C(CC[6a]N)(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCN)	C(C[6a]C[6a]N[6a])(NC[6a])(CH3)	C(CC[6a]N)(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCN){1|C<3>,1|H<1>,1|N<2>}	116.8430	0.291	2	116.8430	0.085	2	117.1233	0.278	3	117.1233	0.278	3	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:2:4:	3:1:1:1:	2:3:3:	C[6a]-3:N-2:C-4:	C-3:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:C-3:	C(C[6a]C[6a]N[6a])(NN[5])(CH3)	C(CC[6a]N)(H)3	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CCN)	C(C[6a]C[6a]N[6a])(NN[5])(CH3)	C(CC[6a]N)(H)3	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CCN){2|C<3>}	117.6840	0.000	1	117.6840	0.000	1	117.1233	0.278	3	117.1233	0.278	3	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:2:4:	3:1:1:1:	3:2:3:	C[6a]-3:N-2:C-4:	C-3:F-1:F-1:F-1:	C[6a]-3:N[6a]-2:C-3:	C(C[6a]C[6a]N[6a])(NC[6a])(CF3)	C(CC[6a]N)(F)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	C(C[6a]C[6a]N[6a])(NC[6a])(CF3)	C(CC[6a]N)(F)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|H<1>,2|C<3>}	115.7190	0.000	1	115.7190	0.000	1	115.7190	0.000	1	117.4260	0.307	54	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:2:4:	3:1:1:1:	3:2:3:	C[6a]-3:N-2:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-3:	C(C[6a]C[6a]N[6a])(NC[6])(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	C(C[6a]C[6a]N[6a])(NC[6])(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|C<3>,2|H<1>}	116.2360	0.000	1	116.2360	0.000	1	117.4582	0.256	53	117.4260	0.307	54	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:2:4:	3:1:1:1:	3:2:3:	C[6a]-3:N-2:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-3:	C(C[6a]C[6a]N[6a])(NC[6a])(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	C(C[6a]C[6a]N[6a])(NC[6a])(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|C<3>,1|C<4>,1|H<1>}	117.2530	0.158	3	117.4731	0.213	50	117.4582	0.256	53	117.4260	0.307	54	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:2:4:	3:1:1:1:	3:2:3:	C[6a]-3:N-2:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-3:	C(C[6a]C[6a]N[6a])(NC[6a])(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	C(C[6a]C[6a]N[6a])(NC[6a])(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|C<3>,2|H<1>}	117.6260	0.000	1	117.4731	0.213	50	117.4582	0.256	53	117.4260	0.307	54	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:2:4:	3:1:1:1:	3:2:3:	C[6a]-3:N-2:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-3:	C(C[6a]C[6a]N[6a])(NC[6a])(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	C(C[6a]C[6a]N[6a])(NC[6a])(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|C<4>,2|C<3>}	117.2090	0.509	2	117.4731	0.213	50	117.4582	0.256	53	117.4260	0.307	54	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:2:4:	3:1:1:1:	3:2:3:	C[6a]-3:N-2:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-3:	C(C[6a]C[6a]N[6a])(NC[6a])(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	C(C[6a]C[6a]N[6a])(NC[6a])(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|H<1>,2|C<3>}	117.4912	0.483	42	117.4731	0.213	50	117.4582	0.256	53	117.4260	0.307	54	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:2:4:	3:1:1:1:	3:2:3:	C[6a]-3:N-2:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-3:	C(C[6a]C[6a]N[6a])(NC[6a])(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	C(C[6a]C[6a]N[6a])(NC[6a])(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){3|C<3>}	117.6105	0.466	2	117.4731	0.213	50	117.4582	0.256	53	117.4260	0.307	54	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:2:4:	3:1:1:1:	3:2:3:	C[6a]-3:N-2:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-3:	C(C[6a]C[6a]N[6a])(NC[6a])(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCN)	C(C[6a]C[6a]N[6a])(NC[6a])(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCN){1|C<3>,1|H<1>}	116.9070	0.000	1	116.9070	0.000	1	117.4582	0.256	53	117.4260	0.307	54	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:2:4:	3:1:1:1:	3:2:3:	C[6a]-3:N-2:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-3:	C(C[6a]C[6a]N[6a])(NN[6a])(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	C(C[6a]C[6a]N[6a])(NN[6a])(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|C<3>,2|H<1>}	118.4880	0.000	1	118.4880	0.000	1	117.4582	0.256	53	117.4260	0.307	54	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:2:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-2:C-4:	C-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[5])(CF3)	C(CC[6a]N)(F)3	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(NC[5])(CF3)	C(CC[6a]N)(F)3	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	115.6290	0.000	1	115.6290	0.000	1	114.5965	2.132	2	118.6344	2.132	47	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:2:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-2:C-4:	C-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NN[6])(CF3)	C(CC[6a]N)(F)3	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(NN[6])(CF3)	C(CC[6a]N)(F)3	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	113.5640	0.000	1	113.5640	0.000	1	114.5965	2.132	2	118.6344	2.132	47	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:2:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-2:C-4:	C-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(NC[6a])(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CCN)	C(C[6a]C[6a,6a]C[6a])(NC[6a])(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CCN){1|H<1>,3|C<3>}	118.0010	0.000	1	118.0010	0.000	1	118.0010	0.000	1	118.6344	2.132	47	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:2:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-2:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[5])(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCN)	C(C[6a]C[6a]2)(NC[5])(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCN){1|C<3>,1|F<1>,1|H<1>}	116.4270	0.000	1	116.4270	0.000	1	118.8323	1.424	44	118.6344	2.132	47	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:2:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-2:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6])(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(NC[6])(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|F<1>}	119.5460	1.067	4	119.1192	0.534	14	118.8323	1.424	44	118.6344	2.132	47	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:2:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-2:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6])(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(NC[6])(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|H<1>}	118.9485	0.528	10	119.1192	0.534	14	118.8323	1.424	44	118.6344	2.132	47	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:2:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-2:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]C)(CCN)	C(C[6a]C[6a]2)(NC[6a])(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]C)(CCN){2|C<3>}	116.6650	0.000	1	116.6650	0.000	1	118.8323	1.424	44	118.6344	2.132	47	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:2:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-2:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCN)	C(C[6a]C[6a]2)(NC[6a])(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCN){1|C<2>,1|C<3>,1|H<1>}	116.7900	0.000	1	117.7454	1.841	5	118.8323	1.424	44	118.6344	2.132	47	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:2:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-2:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCN)	C(C[6a]C[6a]2)(NC[6a])(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCN){1|C<3>,1|F<1>,1|H<1>}	117.2870	0.000	1	117.7454	1.841	5	118.8323	1.424	44	118.6344	2.132	47	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:2:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-2:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCN)	C(C[6a]C[6a]2)(NC[6a])(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCN){1|C<3>,2|H<1>}	118.2167	1.670	3	117.7454	1.841	5	118.8323	1.424	44	118.6344	2.132	47	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:2:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-2:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(NC[6a])(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|Br<1>,1|C<3>,1|H<1>}	119.3160	0.000	1	118.9402	0.116	11	118.8323	1.424	44	118.6344	2.132	47	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:2:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-2:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(NC[6a])(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,1|C<4>,1|H<1>}	118.8640	0.000	1	118.9402	0.116	11	118.8323	1.424	44	118.6344	2.132	47	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:2:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-2:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(NC[6a])(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|H<1>}	118.9069	0.353	9	118.9402	0.116	11	118.8323	1.424	44	118.6344	2.132	47	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:2:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-2:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(NC[6a])(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	118.7540	0.000	1	118.0885	0.277	4	118.8323	1.424	44	118.6344	2.132	47	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:2:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-2:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(NC[6a])(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(CCN){1|N<2>,2|H<1>}	117.8667	0.347	3	118.0885	0.277	4	118.8323	1.424	44	118.6344	2.132	47	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:2:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-2:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(CCN)	C(C[6a]C[6a]2)(NC[6a])(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(CCN){1|C<3>,1|H<1>}	123.2230	0.000	1	123.2230	0.000	1	118.8323	1.424	44	118.6344	2.132	47	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:2:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-2:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NN[5])(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(NN[5])(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|H<1>}	119.6810	0.000	1	119.6810	0.000	1	118.8323	1.424	44	118.6344	2.132	47	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:2:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-2:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NN[5])(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(NN[5])(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	118.3880	0.783	2	118.3880	0.614	2	118.8323	1.424	44	118.6344	2.132	47	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:2:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-2:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NN[6])(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(NN[6])(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|H<1>}	120.4790	0.000	1	120.4790	0.000	1	118.8323	1.424	44	118.6344	2.132	47	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:2:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-2:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NN[6a])(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(NN[6a])(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	119.4260	0.364	3	119.4260	0.132	3	118.8323	1.424	44	118.6344	2.132	47	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:2:4:	3:3:1:1:	3:2:3:	C[6a]-3:N-2:C-4:	C-3:C-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-3:	C(C[6a]C[6a]N[6a])(NC[6a])(CCHH)	C(CC[6a]C)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	C(C[6a]C[6a]N[6a])(NC[6a])(CCHH)	C(CC[6a]C)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|H<1>,2|C<3>}	118.8245	0.326	2	118.8245	0.106	2	119.2020	0.481	3	119.2020	0.481	3	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:2:4:	3:3:1:1:	3:2:3:	C[6a]-3:N-2:C-4:	C-3:C-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-3:	C(C[6a]C[6a]N[6a])(NC[6a])(CCHH)	C(CC[6a]N)(CCN)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	C(C[6a]C[6a]N[6a])(NC[6a])(CCHH)	C(CC[6a]N)(CCN)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|C<3>,2|H<1>}	119.9570	0.000	1	119.9570	0.000	1	119.2020	0.481	3	119.2020	0.481	3	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:2:4:	3:3:1:1:	3:3:3:	C[6a]-3:N-2:C-4:	C-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(CCHH)	C(CC[6a]C)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(NC[6a])(CCHH)	C(CC[6a]C)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	118.8690	0.000	1	118.8690	0.000	1	120.5880	0.738	27	120.5880	0.738	27	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:2:4:	3:3:1:1:	3:3:3:	C[6a]-3:N-2:C-4:	C-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(CCHH)	C(CC[6a]N)(CCN)(H)2	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(NC[6a])(CCHH)	C(CC[6a]N)(CCN)(H)2	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	120.5850	0.097	3	120.5850	0.009	3	120.5880	0.738	27	120.5880	0.738	27	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:2:4:	3:3:1:1:	3:3:3:	C[6a]-3:N-2:C-4:	C-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(CCHH)	C(CC[6a]N)(CNO)(H)2	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(NC[6a])(CCHH)	C(CC[6a]N)(CNO)(H)2	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	119.9536	0.619	9	119.9536	0.383	9	120.5880	0.738	27	120.5880	0.738	27	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:2:4:	3:3:1:1:	3:3:3:	C[6a]-3:N-2:C-4:	C-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(CCHH)	C(CC[6a]N)(CNS)(H)2	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(NC[6a])(CCHH)	C(CC[6a]N)(CNS)(H)2	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	120.8213	0.650	4	120.8213	0.422	4	120.5880	0.738	27	120.5880	0.738	27	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:2:4:	3:3:1:1:	3:3:3:	C[6a]-3:N-2:C-4:	C-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(CCHH)	C(CC[6a]N)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(NC[6a])(CCHH)	C(CC[6a]N)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|H<1>}	121.2474	0.923	5	121.2474	0.852	5	120.5880	0.738	27	120.5880	0.738	27	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:2:4:	3:3:1:1:	3:3:3:	C[6a]-3:N-2:C-4:	C-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(CCHH)	C(CC[6a]N)2(H)2	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(NC[6a])(CCHH)	C(CC[6a]N)2(H)2	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	121.2296	0.318	5	121.2296	0.101	5	120.5880	0.738	27	120.5880	0.738	27	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:2:4:	3:3:2:1:	3:3:3:	C[6a]-3:N-2:C-4:	C-3:C-3:S-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(CCHS)	C(CC[6a]N)(COO)(SC)(H)	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(NC[6a])(CCHS)	C(CC[6a]N)(COO)(SC)(H)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	119.8540	0.653	2	119.8540	0.427	2	119.8540	0.427	2	119.8540	0.427	2	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:2:4:	3:3:3:1:	3:3:3:	C[6a]-3:N-2:C-4:	C-3:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(CCCH)	C(CC[6a]C)(CC[6a]N)(CCO)(H)	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(NC[6a])(CCCH)	C(CC[6a]C)(CC[6a]N)(CCO)(H)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	120.6885	0.551	2	120.6885	0.303	2	120.0097	0.719	4	119.8346	0.693	5	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:2:4:	3:3:3:1:	3:3:3:	C[6a]-3:N-2:C-4:	C-3:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(CCCH)	C(CC[6a]C[5])(CC[6a]N)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(NC[6a])(CCCH)	C(CC[6a]C[5])(CC[6a]N)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	119.3310	0.107	2	119.3310	0.012	2	120.0097	0.719	4	119.8346	0.693	5	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:2:4:	3:3:3:1:	3:3:3:	C[6a]-3:N-2:C-4:	C-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(CCHN)	C(CC[6a]N)(CNO)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(NC[6a])(CCHN)	C(CC[6a]N)(CNO)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	119.1340	0.000	1	119.1340	0.000	1	119.1340	0.000	1	119.8346	0.693	5	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:2:4:	3:3:4:1:	3:3:3:	C[6a]-3:N-2:C-4:	C-3:C-3:C-4:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(CClCC)	C(CC[6a]N)2(CH3)(Cl)	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(NC[6a])(CClCC)	C(CC[6a]N)2(CH3)(Cl)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	115.4220	0.793	2	115.4220	0.629	2	115.4220	0.629	2	116.7073	5.271	3	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:2:4:	3:3:4:1:	3:3:3:	C[6a]-3:N-2:C-4:	C-3:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(CCCH)	C(CC[6a]C)(CC[6a]N)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(NC[6a])(CCCH)	C(CC[6a]C)(CC[6a]N)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	119.2780	0.000	1	119.2780	0.000	1	119.2780	0.000	1	116.7073	5.271	3	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:2:4:	3:4:1:1:	3:3:3:	C[6a]-3:N-2:C-4:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(CCHH)	C(CC[6a]N)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(NC[6a])(CCHH)	C(CC[6a]N)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	118.4193	0.034	3	118.4193	0.001	3	118.8085	0.607	4	118.8085	0.607	4	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:2:4:	3:4:1:1:	3:3:3:	C[6a]-3:N-2:C-4:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(CCHH)	C(CC[6a]N)(CHHN)(H)2	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(NC[6a])(CCHH)	C(CC[6a]N)(CHHN)(H)2	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	119.9760	0.000	1	119.9760	0.000	1	118.8085	0.607	4	118.8085	0.607	4	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:2:4:	3:4:4:4:	3:2:3:	C[6a]-3:N-2:C-4:	C-3:C-4:C-4:C-4:	C[6a]-3:N[6a]-2:C-3:	C(C[6a]C[6a]N[6a])(NC[6a])(CC3)	C(CC[6a]N)(CH3)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	C(C[6a]C[6a]N[6a])(NC[6a])(CC3)	C(CC[6a]N)(CH3)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|Br<1>,1|C<3>,1|H<1>}	117.9070	0.000	1	118.2605	0.539	4	118.2605	0.539	4	118.2605	0.539	4	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:2:4:	3:4:4:4:	3:2:3:	C[6a]-3:N-2:C-4:	C-3:C-4:C-4:C-4:	C[6a]-3:N[6a]-2:C-3:	C(C[6a]C[6a]N[6a])(NC[6a])(CC3)	C(CC[6a]N)(CH3)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	C(C[6a]C[6a]N[6a])(NC[6a])(CC3)	C(CC[6a]N)(CH3)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|C<3>,2|H<1>}	117.7590	0.000	1	118.2605	0.539	4	118.2605	0.539	4	118.2605	0.539	4	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:2:4:	3:4:4:4:	3:2:3:	C[6a]-3:N-2:C-4:	C-3:C-4:C-4:C-4:	C[6a]-3:N[6a]-2:C-3:	C(C[6a]C[6a]N[6a])(NC[6a])(CC3)	C(CC[6a]N)(CH3)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	C(C[6a]C[6a]N[6a])(NC[6a])(CC3)	C(CC[6a]N)(CH3)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|H<1>,2|C<3>}	118.6880	0.935	2	118.2605	0.539	4	118.2605	0.539	4	118.2605	0.539	4	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:2:4:	4:3:1:1:	3:2:3:	C[6a]-3:N-2:C-4:	C-4:C-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-3:	C(C[6a]C[6a]N[6a])(NC[6a])(CCHH)	C(CC[6a]CN)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	C(C[6a]C[6a]N[6a])(NC[6a])(CCHH)	C(CC[6a]CN)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|H<1>,2|C<3>}	119.4290	0.000	1	119.4290	0.000	1	119.4290	0.000	1	119.4290	0.000	1	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:2:4:	4:3:1:1:	3:3:3:	C[6a]-3:N-2:C-4:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[5a])(CCHH)	C(CC[6a]HN)(CC[6a]N)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCN)	C(C[6a]C[6a]2)(NC[5a])(CCHH)	C(CC[6a]HN)(CC[6a]N)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCN){1|C<3>,1|H<1>,1|O<2>}	119.5990	0.881	2	119.5990	0.776	2	120.7223	0.833	15	120.7223	0.833	15	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:2:4:	4:3:1:1:	3:3:3:	C[6a]-3:N-2:C-4:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(CCHH)	C(CC[5a]HN)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(NC[6a])(CCHH)	C(CC[5a]HN)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	120.9130	0.000	1	120.9130	0.000	1	120.7223	0.833	15	120.7223	0.833	15	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:2:4:	4:3:1:1:	3:3:3:	C[6a]-3:N-2:C-4:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(CCHH)	C(CC[6a]CN)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(NC[6a])(CCHH)	C(CC[6a]CN)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	120.8795	0.172	2	120.7333	0.079	3	120.7223	0.833	15	120.7223	0.833	15	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:2:4:	4:3:1:1:	3:3:3:	C[6a]-3:N-2:C-4:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(CCHH)	C(CC[6a]CN)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(NC[6a])(CCHH)	C(CC[6a]CN)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CCN){1|N<2>,2|H<1>}	120.4410	0.000	1	120.7333	0.079	3	120.7223	0.833	15	120.7223	0.833	15	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:2:4:	4:3:1:1:	3:3:3:	C[6a]-3:N-2:C-4:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(CCHH)	C(CC[6a]HN)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(NC[6a])(CCHH)	C(CC[6a]HN)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|H<1>}	121.6945	0.684	4	121.6945	0.468	4	120.7223	0.833	15	120.7223	0.833	15	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:2:4:	4:3:1:1:	3:3:3:	C[6a]-3:N-2:C-4:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(CCHH)	C(CC[6a]HN)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(NC[6a])(CCHH)	C(CC[6a]HN)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	120.1597	0.985	3	120.1597	0.971	3	120.7223	0.833	15	120.7223	0.833	15	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:2:4:	4:3:1:1:	3:3:3:	C[6a]-3:N-2:C-4:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(CCHH)	C(CC[6a]HS)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(NC[6a])(CCHH)	C(CC[6a]HS)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|H<1>}	120.6335	0.289	2	120.6335	0.084	2	120.7223	0.833	15	120.7223	0.833	15	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	2:2:3:	C[6a]-3:C-3:C-4:	C-3:H-1:H-1:H-1:	N[6a]-2:O[6a]-2:C-3:	C(C[6a]N[6a]O[6a])(CC[6a]N)(CH3)	C(CC[6a]C)(H)3	C[6a](N[6a]C[6a])(O[6a]C[6a])(CCC)	C(C[6a]N[6a]O[6a])(CC[6a]N)(CH3)	C(CC[6a]C)(H)3	C[6a](N[6a]C[6a])(O[6a]C[6a])(CCC){1|O<1>,2|C<3>}	116.8880	0.000	1	116.8880	0.000	1	116.8880	0.000	1	116.8880	0.000	1	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:2:3:	C[6a]-3:C-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-3:	C(C[6a]C[6a]N[6a])(CC[6a]H)(CH3)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC)	C(C[6a]C[6a]N[6a])(CC[6a]H)(CH3)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC){1|C<3>,2|H<1>}	115.1350	0.000	1	115.1350	0.000	1	115.1350	0.000	1	118.7771	7.992	9	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:2:3:	C[6a]-3:C-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:O[6a]-2:C-3:	C(C[6a]C[6a]O[6a])(CBrH)(CH3)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(O[6a]C[6a])(CCC)	C(C[6a]C[6a]O[6a])(CBrH)(CH3)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(O[6a]C[6a])(CCC){1|C<3>,1|O<1>,1|O<2>}	116.1845	0.128	2	116.1845	0.016	2	116.1845	0.016	2	118.7771	7.992	9	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:2:3:	C[6a]-3:C[5]-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-3:	C(C[6a]C[6a]N[6a])(C[5]C[5]N[5])(CH3)	C(CC[6a]C[5])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]C)	C(C[6a]C[6a]N[6a])(C[5]C[5]N[5])(CH3)	C(CC[6a]C[5])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]C){1|C<3>,2|H<1>}	116.1840	0.000	1	116.1840	0.000	1	116.1840	0.000	1	118.7771	7.992	9	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:2:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-3:	C(C[6a]C[6a]N[6a])(NC[6a]H)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	C(C[6a]C[6a]N[6a])(NC[6a]H)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|C<3>,1|H<1>,1|O<2>}	121.9880	0.000	1	121.9880	0.000	1	121.9880	0.000	1	118.7771	7.992	9	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:2:3:	C[6a]-3:N[5]-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-3:	C(C[6a]C[6a]N[6a])(N[5]Ga[3x5]N[5])(CH3)	C(CC[6a]N[5])(H)3	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CN[5]C)	C(C[6a]C[6a]N[6a])(N[5]Ga[3x5]N[5])(CH3)	C(CC[6a]N[5])(H)3	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CN[5]C){1|C<3>,1|H<1>}	122.0970	0.000	1	122.0970	0.000	1	120.8295	1.110	4	118.7771	7.992	9	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:2:3:	C[6a]-3:N[5]-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-3:	C(C[6a]C[6a]N[6a])(N[5]Ga[5,5]N[5])(CH3)	C(CC[6a]N[5])(H)3	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CN[5]C)	C(C[6a]C[6a]N[6a])(N[5]Ga[5,5]N[5])(CH3)	C(CC[6a]N[5])(H)3	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CN[5]C){1|C<3>,1|H<1>}	121.2940	0.000	1	121.2940	0.000	1	120.8295	1.110	4	118.7771	7.992	9	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:2:3:	C[6a]-3:N[5]-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-3:	C(C[6a]C[6a]N[6a])(N[5]Ge[5]C[5])(CH3)	C(CC[6a]N[5])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]C)	C(C[6a]C[6a]N[6a])(N[5]Ge[5]C[5])(CH3)	C(CC[6a]N[5])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]C){1|C<3>,2|H<1>}	119.9635	0.081	2	119.9635	0.007	2	120.8295	1.110	4	118.7771	7.992	9	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[6a]-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[5]C[5,5,6]C[5,6a])(C[6a]C[6a]2)(CH3)	C(CC[6a]C[5])(H)3	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(C[5]C[5,5,6]C[5,6a])(C[6a]C[6a]2)(CH3)	C(CC[6a]C[5])(H)3	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	114.3490	0.000	1	114.3490	0.000	1	116.3561	4.165	11	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[6a]-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[5]C[5,5]O[5])(C[6a]C[6a]2)(CH3)	C(CC[6a]C[5])(H)3	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(C[5]C[5,5]O[5])(C[6a]C[6a]2)(CH3)	C(CC[6a]C[5])(H)3	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	116.3500	0.000	1	116.3500	0.000	1	116.3561	4.165	11	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[6a]-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[5]C[5,6]O[5])(C[6a]C[6a]2)(CH3)	C(CC[6a]C[5])(H)3	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(C[5]C[5,6]O[5])(C[6a]C[6a]2)(CH3)	C(CC[6a]C[5])(H)3	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	116.6550	0.062	2	116.6550	0.004	2	116.3561	4.165	11	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[6a]-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CH3)	C(CC[6a]C[5])(H)3	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CH3)	C(CC[6a]C[5])(H)3	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	115.2090	1.157	2	115.2090	1.338	2	116.3561	4.165	11	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[6a]-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[5]C[5,6a]Si[5])(C[6a]C[6a]2)(CH3)	C(CC[6a]C[5])(H)3	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(C[5]C[5,6a]Si[5])(C[6a]C[6a]2)(CH3)	C(CC[6a]C[5])(H)3	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	112.1550	0.000	1	112.1550	0.000	1	116.3561	4.165	11	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[6a]-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[5]C[5]O[5])(C[6a]C[6a]2)(CH3)	C(CC[6a]C[5])(H)3	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(C[5]C[5]O[5])(C[6a]C[6a]2)(CH3)	C(CC[6a]C[5])(H)3	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	118.3338	0.240	4	118.3338	0.058	4	116.3561	4.165	11	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6a]-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6]O[6]S[6])(C[6a]C[6a]2)(CH3)	C(CC[6a]C[6])(H)3	C[6a](C[6a]C[6a]H)2(CC[6]C)	C(C[6]O[6]S[6])(C[6a]C[6a]2)(CH3)	C(CC[6a]C[6])(H)3	C[6a](C[6a]C[6a]H)2(CC[6]C){1|C<3>,2|H<1>}	115.9960	0.000	1	115.9960	0.000	1	115.9960	0.000	1	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:Br-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(CBrHH)	C(CC[6a]C)(Br)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CBrHH)	C(CC[6a]C)(Br)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	115.3360	0.772	3	115.3360	0.596	3	115.3360	0.596	3	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:Cl-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]H)(CClHH)	C(CC[6a]C)(Cl)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]H)(CClHH)	C(CC[6a]C)(Cl)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,1|H<1>,1|O<2>}	116.8100	0.000	1	116.8100	0.000	1	116.8100	0.000	1	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]H)(CF3)	C(CC[6a]C)(F)3	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]H)(CF3)	C(CC[6a]C)(F)3	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	114.7083	0.865	3	114.7083	0.748	3	114.7655	0.512	4	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CNiH)(CF3)	C(CC[6a]C)(F)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a]2)(CNiH)(CF3)	C(CC[6a]C)(F)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|C<3>,2|H<1>}	114.9370	0.000	1	114.9370	0.000	1	114.7655	0.512	4	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CBrC)(CH3)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CBrC)(CH3)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	116.7665	0.657	2	116.7665	0.432	2	115.1501	2.771	74	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5]H)(CH3)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[5]H)(CH3)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	117.1790	0.000	1	117.1790	0.000	1	115.1501	2.771	74	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5a]F)(CH3)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[5a]F)(CH3)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	116.6120	0.000	1	116.6120	0.000	1	115.1501	2.771	74	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6]H)(CH3)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC)	C(C[6a]C[6a]2)(CC[6]H)(CH3)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC){1|Br<1>,1|C<3>,1|H<1>}	115.6000	0.000	1	115.6000	0.000	1	115.1501	2.771	74	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]2)(CH3)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]2)(CH3)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	114.1935	0.866	4	114.1935	0.751	4	115.1501	2.771	74	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(CH3)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CH3)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|C<3>,1|C<4>,1|H<1>}	113.0110	0.057	2	114.8444	2.824	5	115.1501	2.771	74	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(CH3)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CH3)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|C<3>,2|H<1>}	116.0667	0.209	3	114.8444	2.824	5	115.1501	2.771	74	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(CH3)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CH3)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCC){1|C<3>,2|H<1>}	116.4850	0.372	2	116.4850	0.138	2	115.1501	2.771	74	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(CH3)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CH3)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	114.5434	0.833	17	114.5434	0.694	17	115.1501	2.771	74	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]H)(CH3)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a]2)(CC[6a]H)(CH3)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|C<3>,2|H<1>}	116.6600	0.310	2	116.6600	0.096	2	115.1501	2.771	74	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]H)(CH3)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCC)	C(C[6a]C[6a]2)(CC[6a]H)(CH3)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCC){1|C<3>,1|H<1>}	114.4095	0.245	2	114.4095	0.060	2	115.1501	2.771	74	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]H)(CH3)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]H)(CH3)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	116.6805	0.615	6	116.3269	1.191	7	115.1501	2.771	74	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]H)(CH3)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]H)(CH3)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(CCC){1|N<2>,2|H<1>}	114.2050	0.000	1	116.3269	1.191	7	115.1501	2.771	74	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]O)(CH3)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]O)(CH3)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	115.6560	0.000	1	115.6560	0.000	1	115.1501	2.771	74	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]Pd)(CH3)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a]2)(CC[6a]Pd)(CH3)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|C<3>,2|H<1>}	113.8373	0.784	3	113.8373	0.615	3	115.1501	2.771	74	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCuSi)(CH3)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]Cu)(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a]2)(CCuSi)(CH3)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]Cu)(C[6a]C[6a]H)(CCC){1|C<3>,2|H<1>}	118.6915	1.105	2	118.6915	1.221	2	115.1501	2.771	74	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CIrC)(CH3)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a]2)(CIrC)(CH3)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCC){1|N<3>,2|C<3>,2|H<1>}	114.7005	0.388	2	114.7005	0.151	2	115.1501	2.771	74	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CP[6]H)(CH3)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CP[6]H)(CH3)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	116.8750	0.000	1	116.8750	0.000	1	115.1501	2.771	74	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CPdP)(CH3)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a]2)(CPdP)(CH3)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|C<3>,2|H<1>}	115.0708	1.108	13	115.0708	1.227	13	115.1501	2.771	74	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CRhC)(CH3)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a]2)(CRhC)(CH3)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCC){1|N<3>,2|C<3>,2|H<1>}	114.1890	0.190	2	114.1890	0.036	2	115.1501	2.771	74	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CRhC)(CH3)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CRhC)(CH3)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	118.5250	0.000	1	118.5250	0.000	1	115.1501	2.771	74	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CRuC)(CH3)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a]2)(CRuC)(CH3)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(CCC){1|C<3>,2|H<1>}	119.4620	0.000	1	119.4620	0.000	1	115.1501	2.771	74	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CZrP)(CH3)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CZrP)(CH3)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	111.8610	0.882	4	111.8610	0.778	4	115.1501	2.771	74	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[5]-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(CH3)	C(CC[6a]C[5])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2)(CH3)	C(CC[6a]C[5])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]C){1|C<3>,2|H<1>}	114.8720	0.000	1	114.8720	0.000	1	116.3773	4.663	8	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[5]-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(CH3)	C(CC[6a]C[5])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2)(CH3)	C(CC[6a]C[5])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[5]C){1|C<3>,2|H<1>}	120.2830	0.000	1	120.2830	0.000	1	116.3773	4.663	8	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[5]-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(CH3)	C(CC[6a]C[5])(H)3	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2)(CH3)	C(CC[6a]C[5])(H)3	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,1|H<1>,1|O<2>}	114.1580	0.000	1	115.3750	0.820	5	116.3773	4.663	8	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[5]-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(CH3)	C(CC[6a]C[5])(H)3	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2)(CH3)	C(CC[6a]C[5])(H)3	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	115.6792	0.690	4	115.3750	0.820	5	116.3773	4.663	8	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[5]-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[5]S[5]2)(CH3)	C(CC[6a]C[5])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]C)	C(C[6a]C[6a]2)(C[5]S[5]2)(CH3)	C(CC[6a]C[5])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]C){1|C<2>,1|C<3>,1|H<1>}	118.9880	0.000	1	118.9880	0.000	1	116.3773	4.663	8	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6]-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)	C(CC[6a]C[6])(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)	C(CC[6a]C[6])(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]C){1|C<3>,2|H<1>}	111.2230	0.000	1	111.2230	0.000	1	113.1957	1.741	15	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6]-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)	C(CC[6a]C[6])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)	C(CC[6a]C[6])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]C){1|C<3>,1|C<4>,1|H<1>}	109.6710	0.000	1	111.4010	5.986	2	113.1957	1.741	15	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6]-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)	C(CC[6a]C[6])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)	C(CC[6a]C[6])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]C){1|C<3>,2|H<1>}	113.1310	0.000	1	111.4010	5.986	2	113.1957	1.741	15	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6]-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)	C(CC[6a]C[6])(H)3	C[6a](C[6a]C[6a]H)2(CC[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)	C(CC[6a]C[6])(H)3	C[6a](C[6a]C[6a]H)2(CC[6]C){1|C<3>,1|C<4>,1|H<1>}	114.0690	0.585	2	113.5255	0.312	11	113.1957	1.741	15	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6]-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)	C(CC[6a]C[6])(H)3	C[6a](C[6a]C[6a]H)2(CC[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)	C(CC[6a]C[6])(H)3	C[6a](C[6a]C[6a]H)2(CC[6]C){1|C<3>,2|H<1>}	113.5538	0.539	6	113.5255	0.312	11	113.1957	1.741	15	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6]-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)	C(CC[6a]C[6])(H)3	C[6a](C[6a]C[6a]H)2(CC[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)	C(CC[6a]C[6])(H)3	C[6a](C[6a]C[6a]H)2(CC[6]C){1|Cl<1>,1|C<3>,1|H<1>}	113.1885	0.394	2	113.5255	0.312	11	113.1957	1.741	15	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6]-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)	C(CC[6a]C[6])(H)3	C[6a](C[6a]C[6a]H)2(CC[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)	C(CC[6a]C[6])(H)3	C[6a](C[6a]C[6a]H)2(CC[6]C){2|Cl<1>,1|C<3>}	112.9420	0.000	1	113.5255	0.312	11	113.1957	1.741	15	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6]-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]N[6]2)(CH3)	C(CC[6a]C[6])(H)3	C[6a](C[6a]C[6a]H)2(CC[6]C)	C(C[6a]C[6a]2)(C[6]N[6]2)(CH3)	C(CC[6a]C[6])(H)3	C[6a](C[6a]C[6a]H)2(CC[6]C){1|C<3>,2|H<1>}	115.1300	0.000	1	115.1300	0.000	1	113.1957	1.741	15	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(CH3)	C(CC[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C)	C(C[6a]C[6a]2)2(CH3)	C(CC[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C){1|C<3>,1|C<4>,1|H<1>}	111.3025	1.709	2	111.3025	2.921	2	111.3025	2.921	2	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-3:	C(C[6a]C[6,6a]C[6a])(NC[6a]Ni)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CCN)	C(C[6a]C[6,6a]C[6a])(NC[6a]Ni)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CCN){1|Ni<4>,1|H<1>,3|C<3>}	117.6375	0.402	2	117.6375	0.162	2	116.4402	1.248	5	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-3:	C(C[6a]C[6,6a]C[6a])(NC[6a]Pd)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CCN)	C(C[6a]C[6,6a]C[6a])(NC[6a]Pd)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CCN){1|Pd<4>,1|H<1>,3|C<3>}	115.6420	0.161	3	115.6420	0.026	3	116.4402	1.248	5	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(NCuC)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a,6a]C[6a])(NCuC)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCN){2|H<1>,3|C<3>}	119.4760	0.000	1	119.4760	0.000	1	119.0483	0.824	3	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(NFeC)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a,6a]C[6a])(NFeC)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCN){2|H<1>,3|C<3>}	118.8345	1.172	2	118.8345	1.373	2	119.0483	0.824	3	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6]Co)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(NC[6]Co)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|C<4>}	116.3320	1.376	2	116.3320	1.893	2	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6]Cu)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(NC[6]Cu)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|F<1>}	115.6697	2.486	3	115.8118	4.201	4	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6]Cu)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(NC[6]Cu)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|H<1>}	116.2380	0.000	1	115.8118	4.201	4	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6]Fe)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]O)2(CCN)	C(C[6a]C[6a]2)(NC[6]Fe)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]O)2(CCN){3|C<3>}	118.8597	0.306	3	118.8597	0.094	3	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6]Ir)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CCN)	C(C[6a]C[6a]2)(NC[6]Ir)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CCN){1|C<3>,2|H<1>}	121.0820	0.000	1	121.0820	0.000	1	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a]Al)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]C)(CCN)	C(C[6a]C[6a]2)(NC[6a]Al)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]C)(CCN){2|C<3>}	119.5600	0.000	1	119.5600	0.000	1	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a]Cu)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN)	C(C[6a]C[6a]2)(NC[6a]Cu)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN){1|C<3>,2|H<1>}	118.0987	0.568	3	118.0987	0.323	3	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a]Ir)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[5,6a]Ir)(C[6a]C[6a]H)(CCN)	C(C[6a]C[6a]2)(NC[6a]Ir)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[5,6a]Ir)(C[6a]C[6a]H)(CCN){1|C<3>,1|H<1>,1|O<2>}	122.8960	0.000	1	122.8960	0.000	1	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a]Ir)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CCN)	C(C[6a]C[6a]2)(NC[6a]Ir)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CCN){1|C<3>,2|H<1>}	121.7498	0.860	5	121.7498	0.740	5	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a]Ni)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(NC[6a]Ni)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|Cl<1>,1|C<3>,1|H<1>}	117.0770	0.406	2	117.0770	0.165	2	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a]O)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]C)2(CCN)	C(C[6a]C[6a]2)(NC[6a]O)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]C)2(CCN){1|C<3>,2|H<1>}	118.3470	0.000	1	118.3470	0.000	1	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a]Rh)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(CCN)	C(C[6a]C[6a]2)(NC[6a]Rh)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(CCN){1|C<3>,2|H<1>}	121.5603	0.339	3	121.5603	0.115	3	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a]Ru)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(CCN)	C(C[6a]C[6a]2)(NC[6a]Ru)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(CCN){1|C<3>,2|H<1>}	121.8870	0.000	1	121.8870	0.000	1	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a]Sb)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CCN)	C(C[6a]C[6a]2)(NC[6a]Sb)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CCN){1|H<1>,2|C<3>}	120.1818	0.333	4	120.1818	0.111	4	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a]Sn)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[5,6a]Sn)(C[6a]C[6a]H)(CCN)	C(C[6a]C[6a]2)(NC[6a]Sn)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[5,6a]Sn)(C[6a]C[6a]H)(CCN){1|C<3>,1|H<1>,1|O<2>}	120.2750	0.665	2	120.2750	0.442	2	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a]Zn)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN)	C(C[6a]C[6a]2)(NC[6a]Zn)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN){1|C<3>,2|H<1>}	117.0001	0.704	7	117.0001	0.495	7	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NCdN)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(NCdN)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(CCN){1|H<1>,2|C<3>}	118.5495	0.508	2	118.5495	0.258	2	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NCoC)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN)	C(C[6a]C[6a]2)(NCoC)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN){1|C<3>,2|H<1>}	118.6510	0.444	2	118.6510	0.197	2	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NCoC)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(NCoC)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,1|C<4>,1|H<1>}	116.7488	1.556	8	117.6796	1.916	18	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NCoC)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(NCoC)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|C<4>}	119.0850	0.000	1	117.6796	1.916	18	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NCoC)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(NCoC)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|H<1>}	118.3508	0.575	9	117.6796	1.916	18	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NCoN)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCN)	C(C[6a]C[6a]2)(NCoN)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCN){1|H<1>,2|C<3>}	117.4495	0.306	2	117.4495	0.094	2	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NCoN)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(NCoN)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(CCN){1|H<1>,2|C<3>}	118.6485	1.821	2	118.6485	3.315	2	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NCuC)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(NCuC)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,1|H<1>,1|O<2>}	118.3480	0.000	1	117.8731	1.150	18	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NCuC)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(NCuC)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|H<1>}	117.8452	1.099	17	117.8731	1.150	18	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NCuN)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN)	C(C[6a]C[6a]2)(NCuN)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN){1|C<3>,2|H<1>}	119.6150	0.000	1	119.6150	0.000	1	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NCuO)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCN)	C(C[6a]C[6a]2)(NCuO)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCN){1|H<1>,2|C<3>}	119.9100	0.080	3	119.9100	0.006	3	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NCuO)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(NCuO)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,1|C<4>,1|H<1>}	119.9605	0.090	2	119.9605	0.008	2	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NFeC)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(NFeC)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|H<1>}	118.1520	0.727	11	118.1520	0.528	11	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NFeN)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(NFeN)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|H<1>}	119.5085	0.111	2	119.5085	0.012	2	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NFeO)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(NFeO)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|H<1>}	120.1117	0.816	3	120.1117	0.666	3	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NIrC)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CCN)	C(C[6a]C[6a]2)(NIrC)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CCN){1|C<3>,2|H<1>}	121.1020	0.000	1	121.1020	0.000	1	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NIrO)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(NIrO)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	119.5390	0.000	1	119.5390	0.000	1	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NMgC)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(NMgC)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|Br<1>,1|C<3>,1|H<1>}	119.0440	0.000	1	118.6395	0.327	2	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NMgC)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(NMgC)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|Cl<1>,1|C<3>,1|H<1>}	118.2350	0.000	1	118.6395	0.327	2	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NMnC)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCN)	C(C[6a]C[6a]2)(NMnC)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCN){1|H<1>,2|C<3>}	118.6615	0.360	2	118.6615	0.130	2	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NMnC)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(NMnC)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,1|F<1>,1|H<1>}	116.6497	0.670	6	116.6497	0.449	6	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NMnC)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]O)2(CCN)	C(C[6a]C[6a]2)(NMnC)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]O)2(CCN){3|C<3>}	119.7400	0.000	1	119.7400	0.000	1	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NMnO)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(NMnO)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,1|C<4>,1|H<1>}	121.2140	0.000	1	121.2140	0.000	1	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NMoC)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(NMoC)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|H<1>}	117.9005	0.829	2	117.9005	0.688	2	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NMoN)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(NMoN)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|H<1>}	118.5222	0.447	4	118.5222	0.200	4	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NMoN)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCN)	C(C[6a]C[6a]2)(NMoN)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCN){1|C<3>,2|H<1>}	117.4720	0.000	1	117.4720	0.000	1	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NNiC)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN)	C(C[6a]C[6a]2)(NNiC)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN){1|C<3>,2|H<1>}	116.9725	0.172	2	116.9725	0.030	2	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NNiC)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(NNiC)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,1|C<4>,1|H<1>}	119.3920	0.485	2	118.4169	0.997	14	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NNiC)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(NNiC)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,1|H<1>,1|O<2>}	117.6070	0.875	2	118.4169	0.997	14	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NNiC)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(NNiC)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|C<4>}	118.8852	0.864	5	118.4169	0.997	14	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NNiC)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(NNiC)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|H<1>}	117.8826	0.900	5	118.4169	0.997	14	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NNiC)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]O)2(CCN)	C(C[6a]C[6a]2)(NNiC)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]O)2(CCN){3|C<3>}	120.5632	1.003	4	120.5632	1.005	4	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NNiH)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(NNiH)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|H<1>}	120.0873	0.350	3	120.0873	0.123	3	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NNiN)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCN)	C(C[6a]C[6a]2)(NNiN)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCN){1|H<1>,2|C<3>}	116.4845	1.030	2	116.4845	1.061	2	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NNiN)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN)	C(C[6a]C[6a]2)(NNiN)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN){1|C<3>,2|H<1>}	119.6220	0.000	1	119.6220	0.000	1	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NNiN)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(NNiN)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|Br<1>,1|C<3>,1|H<1>}	118.7070	0.000	1	118.6822	0.245	8	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NNiN)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(NNiN)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,1|H<1>,1|O<2>}	118.7480	0.000	1	118.6822	0.245	8	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NNiN)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(NNiN)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|H<1>}	118.4370	0.599	4	118.6822	0.245	8	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NNiN)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(NNiN)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|Cl<1>,1|C<3>,1|H<1>}	119.1275	0.011	2	118.6822	0.245	8	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NNiN)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(NNiN)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	118.4820	0.028	2	118.4820	0.001	2	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NNiN)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]N[6a]O)2(CCN)	C(C[6a]C[6a]2)(NNiN)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]N[6a]O)2(CCN){1|C<3>,2|H<1>}	119.9930	0.577	2	119.9930	0.333	2	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NNiO)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCN)	C(C[6a]C[6a]2)(NNiO)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCN){1|H<1>,2|C<3>}	119.5445	0.074	2	119.5445	0.006	2	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NNiO)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN)	C(C[6a]C[6a]2)(NNiO)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN){1|C<3>,2|H<1>}	119.8770	0.000	1	119.8770	0.000	1	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NNiO)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(NNiO)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,1|C<4>,1|H<1>}	120.3465	1.032	2	120.5290	0.399	4	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NNiO)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(NNiO)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,1|C<4>,1|N<3>}	120.6930	0.000	1	120.5290	0.399	4	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NNiO)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(NNiO)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|H<1>}	120.7300	0.000	1	120.5290	0.399	4	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NPdC)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(NPdC)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|H<1>}	116.7185	0.288	2	116.7185	0.083	2	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NPdC)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CCN)	C(C[6a]C[6a]2)(NPdC)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CCN){1|C<3>,2|H<1>}	121.2414	0.328	5	121.2414	0.108	5	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NPdH)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(NPdH)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|H<1>}	119.7890	0.000	1	119.7890	0.000	1	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NPdH)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CCN)	C(C[6a]C[6a]2)(NPdH)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CCN){1|C<3>,2|H<1>}	123.3030	0.000	1	123.3030	0.000	1	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NPdN)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a,6a]Pd)(C[6a]O[6a]O)(CCN)	C(C[6a]C[6a]2)(NPdN)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a,6a]Pd)(C[6a]O[6a]O)(CCN){2|C<3>}	125.5990	0.000	1	125.5990	0.000	1	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NPdN)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(NPdN)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|H<1>}	119.5900	1.271	3	119.5900	1.616	3	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NPdN)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]O)2(CCN)	C(C[6a]C[6a]2)(NPdN)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]O)2(CCN){1|C<3>,2|H<1>}	120.4750	0.000	1	120.4750	0.000	1	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NPdN)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CCN)	C(C[6a]C[6a]2)(NPdN)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CCN){1|C<3>,1|H<1>,1|O<2>}	122.6280	0.000	1	123.4917	1.570	3	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NPdN)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CCN)	C(C[6a]C[6a]2)(NPdN)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CCN){1|C<3>,2|H<1>}	123.9235	1.422	2	123.4917	1.570	3	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NPdN)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(NPdN)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(CCN){1|C<3>,2|H<1>}	125.3460	0.011	2	125.3460	0.000	2	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NPdN)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]N[6a]O)2(CCN)	C(C[6a]C[6a]2)(NPdN)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]N[6a]O)2(CCN){1|C<3>,2|H<1>}	118.6060	0.000	1	118.6060	0.000	1	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NPdO)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCN)	C(C[6a]C[6a]2)(NPdO)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCN){1|C<3>,2|H<1>}	119.7410	0.000	1	119.7410	0.000	1	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NPdO)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CCN)	C(C[6a]C[6a]2)(NPdO)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CCN){1|C<3>,2|H<1>}	124.8789	0.979	14	124.8423	0.910	15	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NPdO)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CCN)	C(C[6a]C[6a]2)(NPdO)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CCN){1|C<3>,2|O<2>}	124.3310	0.000	1	124.8423	0.910	15	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NPtN)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CCN)	C(C[6a]C[6a]2)(NPtN)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CCN){1|Cl<1>,1|C<3>,1|H<1>}	122.7860	0.000	1	122.7860	0.000	1	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NPtN)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]N[6a]O)2(CCN)	C(C[6a]C[6a]2)(NPtN)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]N[6a]O)2(CCN){1|C<3>,2|H<1>}	119.3540	0.000	1	119.3540	0.000	1	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NReN)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(NReN)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	116.7099	0.750	7	116.7099	0.563	7	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NRhC)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(CCN)	C(C[6a]C[6a]2)(NRhC)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(CCN){1|C<3>,2|H<1>}	122.0950	0.545	3	122.0950	0.297	3	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NRhH)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(CCN)	C(C[6a]C[6a]2)(NRhH)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(CCN){1|C<3>,2|H<1>}	123.0638	1.723	5	123.0638	2.970	5	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NRhN)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(NRhN)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|H<1>}	117.8310	0.013	2	117.8310	0.000	2	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NRhO)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(NRhO)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|H<1>}	120.2500	0.870	2	120.2500	0.756	2	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NRuH)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(NRuH)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|H<1>}	120.5700	0.000	1	120.5700	0.000	1	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NRuN)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a,6a]Ru)(C[6a]O[6a]O)(CCN)	C(C[6a]C[6a]2)(NRuN)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a,6a]Ru)(C[6a]O[6a]O)(CCN){2|C<3>}	125.2310	0.334	4	125.2310	0.112	4	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NRuN)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(NRuN)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	115.6203	0.423	3	115.6203	0.179	3	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NRuO)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(CCN)	C(C[6a]C[6a]2)(NRuO)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(CCN){1|C<3>,2|H<1>}	123.7410	0.000	1	123.7410	0.000	1	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NSnC)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(NSnC)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|H<1>}	118.9660	0.000	1	118.9660	0.000	1	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NSnN)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(NSnN)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|H<1>}	119.9697	1.081	3	120.0376	0.608	5	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NSnN)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(NSnN)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|Cl<1>,1|C<3>,1|H<1>}	120.1395	0.248	2	120.0376	0.608	5	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NZnC)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(NZnC)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	117.2970	0.000	1	117.2970	0.000	1	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NZnN)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(NZnN)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,1|C<4>,1|H<1>}	118.5670	0.000	1	118.0703	3.028	7	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NZnN)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(NZnN)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|H<1>}	117.7547	1.854	3	118.0703	3.028	7	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NZnN)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(NZnN)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|Cl<1>,1|C<3>,1|H<1>}	118.2203	2.311	3	118.0703	3.028	7	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NZnN)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(NZnN)(CH3)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(CCN){1|H<1>,2|C<3>}	118.0960	2.312	2	118.0960	5.346	2	119.4052	6.530	254	118.0019	9.575	381	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]H)(CHHO)	C(CC[6a]C)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]H)(CHHO)	C(CC[6a]C)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	116.8590	0.000	1	116.8590	0.000	1	115.9693	2.445	4	115.6258	2.424	5	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]H)(CHHO)	C(CC[6a]C)(OH)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]H)(CHHO)	C(CC[6a]C)(OH)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,1|H<1>,1|O<2>}	117.6480	0.000	1	117.6480	0.000	1	115.9693	2.445	4	115.6258	2.424	5	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]S)(CHHO)	C(CC[6a]C)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]S)(CHHO)	C(CC[6a]C)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	115.1470	0.000	1	115.1470	0.000	1	115.9693	2.445	4	115.6258	2.424	5	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]S)(CHHO)	C(CC[6a]C)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]S)(CHHO)	C(CC[6a]C)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	114.2230	0.000	1	114.2230	0.000	1	115.9693	2.445	4	115.6258	2.424	5	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(CHHS)	C(CC[6a]C)(SC)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CHHS)	C(CC[6a]C)(SC)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	114.2520	0.000	1	114.2520	0.000	1	114.2520	0.000	1	115.6258	2.424	5	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:2:4:4:	3:3:3:	C[5]-3:C[6a]-3:C-4:	C-3:O-2:C-4:C-4:	C[6a]-3:C[6a]-3:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCCO)	C(CC[6a]C[5])(OC[6a])(CH3)2	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCCO)	C(CC[6a]C[5])(OC[6a])(CH3)2	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	116.0410	0.000	1	116.0410	0.000	1	116.0410	0.000	1	116.0410	0.000	1	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:3:1:1:	3:2:3:	C[6a]-3:C-3:C-4:	C-3:C-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-3:	C(C[6a]C[6a]N[6a])(CC[6a]H)(CCHH)	C(CC[6a]C)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC)	C(C[6a]C[6a]N[6a])(CC[6a]H)(CCHH)	C(CC[6a]C)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC){1|H<1>,2|C<3>}	119.9675	0.132	2	119.9675	0.017	2	119.9675	0.017	2	119.9675	0.017	2	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5]-3:C[6a]-3:C-4:	C-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCHH)	C(CC[6a]C[5])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCHH)	C(CC[6a]C[5])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	116.1800	0.000	1	116.1800	0.000	1	117.0490	0.574	3	116.4571	2.162	28	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5]-3:C[6a]-3:C-4:	C-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[5]C[5,6a]O[5])(C[6a]C[6a]2)(CCHH)	C(CC[6a]C[5])(CCH)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(C[5]C[5,6a]O[5])(C[6a]C[6a]2)(CCHH)	C(CC[6a]C[5])(CCH)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	117.4835	0.120	2	117.4835	0.014	2	117.0490	0.574	3	116.4571	2.162	28	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:C-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(CCHH)	C(CC[6a]C)(CCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(CCHH)	C(CC[6a]C)(CCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCC){2|H<1>,3|C<3>}	116.0950	0.000	1	116.0950	0.000	1	116.0950	0.000	1	116.4571	2.162	28	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]2)(CCHH)	C(CC[6a]C)(CCH)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]2)(CCHH)	C(CC[6a]C)(CCH)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	116.2145	0.053	2	116.2145	0.003	2	116.6058	2.891	12	116.4571	2.162	28	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]H)(CCHH)	C(CC[6a]C)(CCN)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]H)(CCHH)	C(CC[6a]C)(CCN)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	118.5690	0.000	1	118.5690	0.000	1	116.6058	2.891	12	116.4571	2.162	28	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]H)(CCHH)	C(CC[6a]C)(CC[6]C)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]H)(CCHH)	C(CC[6a]C)(CC[6]C)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	117.5880	0.000	1	117.5880	0.000	1	116.6058	2.891	12	116.4571	2.162	28	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]H)(CCHH)	C(CC[6a]C)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]H)(CCHH)	C(CC[6a]C)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	120.7620	0.000	1	120.7620	0.000	1	116.6058	2.891	12	116.4571	2.162	28	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]H)(CCHH)	C(CC[6a]C)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]H)(CCHH)	C(CC[6a]C)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	115.9110	0.000	1	115.9110	0.000	1	116.6058	2.891	12	116.4571	2.162	28	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]H)(CCHH)	C(CC[6a]C)(COO)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]H)(CCHH)	C(CC[6a]C)(COO)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	116.8910	0.000	1	116.8910	0.000	1	116.6058	2.891	12	116.4571	2.162	28	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(CC[6a]C)(CCH)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(CC[6a]C)(CCH)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	115.8313	0.313	3	115.8313	0.098	3	116.6058	2.891	12	116.4571	2.162	28	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]S)(CCHH)	C(CC[6a]C)(CCH)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]S)(CCHH)	C(CC[6a]C)(CCH)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	114.8125	0.636	2	114.8125	0.404	2	116.6058	2.891	12	116.4571	2.162	28	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]H)(CHHN)	C(CC[6a]C)(NCS)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a]2)(CC[6a]H)(CHHN)	C(CC[6a]C)(NCS)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|C<3>,2|H<1>}	116.2830	0.262	2	116.2830	0.068	2	117.2083	2.603	3	116.4571	2.162	28	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]H)(CHHN)	C(CC[6a]C)(NC[6a]H)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(CCC)	C(C[6a]C[6a]2)(CC[6a]H)(CHHN)	C(CC[6a]C)(NC[6a]H)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(CCC){4|C<3>}	119.0590	0.000	1	119.0590	0.000	1	117.2083	2.603	3	116.4571	2.162	28	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[5]-3:C-4:	C-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(CCHH)	C(CC[6a]C[5])(CCH)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2)(CCHH)	C(CC[6a]C[5])(CCH)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	116.1865	0.122	2	116.1865	0.015	2	116.6340	0.608	3	116.4571	2.162	28	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[5]-3:C-4:	C-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(CCHH)	C(CC[6a]C[5])(COO)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2)(CCHH)	C(CC[6a]C[5])(COO)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	117.5290	0.000	1	117.5290	0.000	1	116.6340	0.608	3	116.4571	2.162	28	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[5]-3:C-4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(CC[6a]HH)	C(C[6a]C[6a]2)(CC[6a]C[5])(H)2	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2)(CC[6a]HH)	C(C[6a]C[6a]2)(CC[6a]C[5])(H)2	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	115.7105	0.814	4	115.7105	0.663	4	115.7105	0.663	4	116.4571	2.162	28	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[6]-3:C-4:	C-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(CHHN)	C(CC[6a]C[6])(NC[6a]S)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(CHHN)	C(CC[6a]C[6])(NC[6a]S)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6]C){2|H<1>,3|C<3>}	113.0790	0.000	1	113.0790	0.000	1	113.0790	0.000	1	116.4571	2.162	28	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a]Mo)(CCHH)	C(CC[6a]N)(CCN)(H)2	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(NC[6a]Mo)(CCHH)	C(CC[6a]N)(CCN)(H)2	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	116.8400	0.000	1	116.8400	0.000	1	116.8400	0.000	1	116.4571	2.162	28	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C-4:	C-3:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCCH)	C(CC[6a]C[5])(CC[6a]N)(COO)(H)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCCH)	C(CC[6a]C[5])(CC[6a]N)(COO)(H)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	116.8445	1.173	2	116.8445	1.376	2	116.8445	1.376	2	117.2461	2.410	22	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[3]H)(CCCH)	C(CC[6a]C)(CCH)2(H)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[3]H)(CCCH)	C(CC[6a]C)(CCH)2(H)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	118.2172	0.543	5	118.2172	0.295	5	117.5899	0.627	18	117.2461	2.410	22	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[3]H)(CCCH)	C(CC[6a]C)2(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[3]H)(CCCH)	C(CC[6a]C)2(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	117.7598	0.361	5	117.7598	0.130	5	117.5899	0.627	18	117.2461	2.410	22	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[3]H)(CCCH)	C(CC[6a]C)2(CCH)(H)	C[6a](C[6a]N[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[3]H)(CCCH)	C(CC[6a]C)2(CCH)(H)	C[6a](C[6a]N[6a]H)2(CCC){1|C<3>}	117.7123	0.140	3	117.7123	0.020	3	117.5899	0.627	18	117.2461	2.410	22	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[3]H)(CCCH)	C(CC[6a]C)3(H)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[3]H)(CCCH)	C(CC[6a]C)3(H)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	117.2807	0.434	3	117.2807	0.188	3	117.5899	0.627	18	117.2461	2.410	22	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(CCCH)	C(CC[6a]C)(CC[6a]N)(CCO)(H)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CCCH)	C(CC[6a]C)(CC[6a]N)(CCO)(H)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	115.8770	0.486	2	115.8770	0.237	2	117.5899	0.627	18	117.2461	2.410	22	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6a]-3:C[4]-3:C-4:	C-3:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[4]C[4]2)(CCCH)	C(CC[6a]C[4])(CNN)(COO)(H)	C[6a](C[6a]C[6a]H)2(CC[4]C)	C(C[6a]C[6a]2)(C[4]C[4]2)(CCCH)	C(CC[6a]C[4])(CNN)(COO)(H)	C[6a](C[6a]C[6a]H)2(CC[4]C){1|C<3>,2|H<1>}	117.8420	0.000	1	117.8420	0.000	1	117.8420	0.000	1	117.2461	2.410	22	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)	C(CC[6a]N)(CCN)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)	C(CC[6a]N)(CCN)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	111.2660	0.000	1	111.2660	0.000	1	111.2660	0.000	1	117.2461	2.410	22	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:3:4:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]H)(CCCH)	C(CC[6a]C)(CC[6a]N)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]H)(CCCH)	C(CC[6a]C)(CC[6a]N)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	118.5140	0.000	1	118.5140	0.000	1	118.5140	0.000	1	117.3800	1.464	3	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:3:4:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:O-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]Al)(CCHO)	C(CC[6a]C)(OAl2)(CC3)(H)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]Al)(CCHO)	C(CC[6a]C)(OAl2)(CC3)(H)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	116.8130	1.000	2	116.8130	1.000	2	116.8130	1.000	2	117.3800	1.464	3	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:3:4:4:	3:3:3:	C[6a]-3:P-3:C-4:	C[5]-3:C-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(PC[6a]Pd)(CC[5]CC)	C(C[5]N[5]O[5])(CC[6a]P)(CH3)2	C[6a](C[6a]C[6a]H)2(CCP)	C(C[6a]C[6a]2)(PC[6a]Pd)(CC[5]CC)	C(C[5]N[5]O[5])(CC[6a]P)(CH3)2	C[6a](C[6a]C[6a]H)2(CCP){1|C<3>,2|H<1>}	120.6480	0.000	1	120.6480	0.000	1	120.6480	0.000	1	120.6480	0.000	1	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:4:1:1:	3:2:3:	C[6a]-3:C-3:C-4:	C-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-3:	C(C[6a]C[6a]N[6a])(CC[6a]O)(CCHH)	C(CC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC)	C(C[6a]C[6a]N[6a])(CC[6a]O)(CCHH)	C(CC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC){1|C<3>,2|H<1>}	114.8750	0.000	1	114.8750	0.000	1	114.8750	0.000	1	114.8750	0.000	1	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C-3:C[6a]-3:C-4:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(CC[5x3,5x5,20x6]C[6a])(C[6a]C[6a]2)(CCHH)	C(CC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[5x3,5x5,20x6]C[6a])(C[6a]C[6a]2)(CCHH)	C(CC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	112.2025	0.187	2	112.2025	0.035	2	112.2025	0.035	2	115.1117	2.351	105	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[6a]-3:C-4:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[5]C[5,5]O[5])(C[6a]C[6a]2)(CCHH)	C(CC[6a]C[5])(CH3)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(C[5]C[5,5]O[5])(C[6a]C[6a]2)(CCHH)	C(CC[6a]C[5])(CH3)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	115.7540	0.000	1	115.7540	0.000	1	115.0135	3.872	6	115.1117	2.351	105	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[6a]-3:C-4:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(CCHH)	C(CC[6a]C[5])(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(CCHH)	C(CC[6a]C[5])(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	112.8160	0.000	1	112.8160	0.000	1	115.0135	3.872	6	115.1117	2.351	105	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[6a]-3:C-4:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCHH)	C(CC[6a]C[5])(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCHH)	C(CC[6a]C[5])(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	114.9670	0.000	1	114.9670	0.000	1	115.0135	3.872	6	115.1117	2.351	105	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[6a]-3:C-4:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCHH)	C(CC[6a]C[5])(CC[6a]CH)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCHH)	C(CC[6a]C[5])(CC[6a]CH)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	114.0905	1.027	2	114.0905	1.056	2	115.0135	3.872	6	115.1117	2.351	105	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[6a]-3:C-4:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(CCHH)	C(CC[6a]C[5])(CC[6a]CH)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(CCHH)	C(CC[6a]C[5])(CC[6a]CH)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	118.3630	0.000	1	118.3630	0.000	1	115.0135	3.872	6	115.1117	2.351	105	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6]-3:C[6a]-3:C-4:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[5a,6]C[6,6a])(C[6a]C[6a]2)(CCHH)	C(CC[6a]C[6])(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]C)	C(C[6]C[5a,6]C[6,6a])(C[6a]C[6a]2)(CCHH)	C(CC[6a]C[6])(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]C){1|C<3>,2|H<1>}	112.4165	0.742	2	112.4165	0.550	2	114.4015	5.485	4	115.1117	2.351	105	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6]-3:C[6a]-3:C-4:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6]O[6]S[6])(C[6a]C[6a]2)(CCHH)	C(CC[6a]C[6])(CH3)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]C)	C(C[6]O[6]S[6])(C[6a]C[6a]2)(CCHH)	C(CC[6a]C[6])(CH3)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]C){1|C<3>,2|H<1>}	116.3865	0.380	2	116.3865	0.144	2	114.4015	5.485	4	115.1117	2.351	105	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:C-4:F-1:F-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]H)(CCFF)	C(CC[6a]C)(CBrFF)(F)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]H)(CCFF)	C(CC[6a]C)(CBrFF)(F)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	116.7640	0.362	2	116.7640	0.131	2	116.7640	0.131	2	115.1117	2.351	105	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5]H)(CCHH)	C(CC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[5]H)(CCHH)	C(CC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	118.3390	0.000	1	118.3390	0.000	1	114.9998	1.599	83	115.1117	2.351	105	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5a]O)(CCHH)	C(CC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[5a]O)(CCHH)	C(CC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	117.8650	0.000	1	117.8650	0.000	1	114.9998	1.599	83	115.1117	2.351	105	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]2)(CCHH)	C(CC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a]2)(CC[6a]2)(CCHH)	C(CC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|C<3>,2|H<1>}	113.3700	0.000	1	113.3700	0.000	1	114.9998	1.599	83	115.1117	2.351	105	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]2)(CCHH)	C(CC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]C)2(CCC)	C(C[6a]C[6a]2)(CC[6a]2)(CCHH)	C(CC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]C)2(CCC){1|C<3>,2|C<4>}	112.4810	0.000	1	112.4810	0.000	1	114.9998	1.599	83	115.1117	2.351	105	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]2)(CCHH)	C(CC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]2)(CCHH)	C(CC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	114.1690	0.000	1	114.1690	0.000	1	114.9998	1.599	83	115.1117	2.351	105	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]2)(CCHH)	C(CC[6a]C)(CF3)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]2)(CCHH)	C(CC[6a]C)(CF3)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	115.8100	0.000	1	115.8100	0.000	1	114.9998	1.599	83	115.1117	2.351	105	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]2)(CCHH)	C(CC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a]2)(CC[6a]2)(CCHH)	C(CC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|C<3>,2|H<1>}	113.9330	0.000	1	113.9330	0.000	1	114.9998	1.599	83	115.1117	2.351	105	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]2)(CCHH)	C(CC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]2)(CCHH)	C(CC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	114.5211	0.678	27	114.5211	0.460	27	114.9998	1.599	83	115.1117	2.351	105	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]Br)(CCHH)	C(CC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]Br)(CCHH)	C(CC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	114.9140	0.239	2	114.9140	0.057	2	114.9998	1.599	83	115.1117	2.351	105	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(CCHH)	C(CC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CCHH)	C(CC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|C<3>,2|H<1>}	114.0630	0.000	1	114.0630	0.000	1	114.9998	1.599	83	115.1117	2.351	105	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(CCHH)	C(CC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CCHH)	C(CC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	113.5025	0.446	2	113.5025	0.199	2	114.9998	1.599	83	115.1117	2.351	105	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(CCHH)	C(CC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CCHH)	C(CC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	114.0469	0.544	9	114.0469	0.296	9	114.9998	1.599	83	115.1117	2.351	105	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(CCHH)	C(CC[6a]C)(CHHO)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CCHH)	C(CC[6a]C)(CHHO)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,1|H<1>,1|N<3>}	114.7740	0.000	1	114.7740	0.000	1	114.9998	1.599	83	115.1117	2.351	105	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(CCHH)	C(CC[6a]C)(CSi2H)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CCHH)	C(CC[6a]C)(CSi2H)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	114.3540	0.000	1	114.3540	0.000	1	114.9998	1.599	83	115.1117	2.351	105	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C[5])(CCHH)	C(CC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C[5])(CCHH)	C(CC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	114.3937	0.355	4	114.3937	0.126	4	114.9998	1.599	83	115.1117	2.351	105	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C[6])(CCHH)	C(CC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C[6])(CCHH)	C(CC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	115.8130	0.000	1	115.8130	0.000	1	114.9998	1.599	83	115.1117	2.351	105	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]Cr)(CCHH)	C(CC[6a]C)(CCrHH)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]Cr)(CCHH)	C(CC[6a]C)(CCrHH)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	116.1110	0.000	1	116.1110	0.000	1	114.9998	1.599	83	115.1117	2.351	105	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]H)(CCHH)	C(CC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a]2)(CC[6a]H)(CCHH)	C(CC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|Cl<1>,1|C<3>,1|H<1>}	115.0150	0.000	1	115.0150	0.000	1	114.9998	1.599	83	115.1117	2.351	105	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]H)(CCHH)	C(CC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCC)	C(C[6a]C[6a]2)(CC[6a]H)(CCHH)	C(CC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCC){1|C<3>,1|C<4>,1|H<1>}	117.7200	0.000	1	117.7200	0.000	1	114.9998	1.599	83	115.1117	2.351	105	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]H)(CCHH)	C(CC[6a]C)(CRuCC)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]H)(CCHH)	C(CC[6a]C)(CRuCC)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	113.7110	0.000	1	113.7110	0.000	1	114.9998	1.599	83	115.1117	2.351	105	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]N)(CCHH)	C(CC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCC)	C(C[6a]C[6a]2)(CC[6a]N)(CCHH)	C(CC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCC){1|C<3>,1|H<1>,1|O<2>}	115.4760	0.000	1	115.4760	0.000	1	114.9998	1.599	83	115.1117	2.351	105	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]N)(CCHH)	C(CC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]N)(CCHH)	C(CC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	114.9900	0.000	1	114.9900	0.000	1	114.9998	1.599	83	115.1117	2.351	105	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]N[6])(CCHH)	C(CC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]N[6])(CCHH)	C(CC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	115.7560	0.000	1	115.7560	0.000	1	114.9998	1.599	83	115.1117	2.351	105	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(CC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(CC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	115.2150	0.000	1	115.2150	0.000	1	114.9998	1.599	83	115.1117	2.351	105	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(CC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(CC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|C<3>,2|H<1>}	115.8380	0.000	1	115.8380	0.000	1	114.9998	1.599	83	115.1117	2.351	105	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(CC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(CC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCC){1|C<3>,2|H<1>}	114.9300	0.000	1	114.9300	0.000	1	114.9998	1.599	83	115.1117	2.351	105	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(CC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(CC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,1|H<1>,1|O<2>}	117.7040	0.000	1	116.2416	1.375	18	114.9998	1.599	83	115.1117	2.351	105	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(CC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(CC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	116.1555	1.149	17	116.2416	1.375	18	114.9998	1.599	83	115.1117	2.351	105	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]2)(CHHN)	C(CC[6a]C)(NCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a]2)(CC[6a]2)(CHHN)	C(CC[6a]C)(NCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|C<3>,2|H<1>}	116.4090	0.000	1	116.4090	0.000	1	116.4090	0.000	1	115.1117	2.351	105	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-3:C-4:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(CCHH)	C(CC[6a]C[5])(CC[6a]CH)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2)(CCHH)	C(CC[6a]C[5])(CC[6a]CH)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	115.7510	0.000	1	115.7510	0.000	1	115.7510	0.000	1	115.1117	2.351	105	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6]Zn)(CCHH)	C(CC[6a]N)(CCCO)(H)2	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(NC[6]Zn)(CCHH)	C(CC[6a]N)(CCCO)(H)2	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	116.1865	1.300	2	116.1865	1.691	2	116.0832	0.611	4	115.1117	2.351	105	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a]Al)(CCHH)	C(CC[6a]N)(CCCO)(H)2	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(NC[6a]Al)(CCHH)	C(CC[6a]N)(CCCO)(H)2	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	115.9800	0.314	2	115.9800	0.099	2	116.0832	0.611	4	115.1117	2.351	105	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a]Ni)(CHHP)	C(CC[6a]N)(PCCN)(H)2	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(NC[6a]Ni)(CHHP)	C(CC[6a]N)(PCCN)(H)2	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	119.8150	0.000	2	119.8150	0.000	2	119.8150	0.000	2	115.1117	2.351	105	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:4:2:1:	3:3:3:	C[5]-3:C[6a]-3:C-4:	C-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(CCHO)	C(CC[6a]C[5])(CH3)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]C)	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(CCHO)	C(CC[6a]C[5])(CH3)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]C){1|C<3>,2|H<1>}	114.6660	0.246	2	114.6660	0.061	2	114.6660	0.061	2	114.6660	0.061	2	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:4:3:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]H)(CCCH)	C(CC[6a]C)(CHNO)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]H)(CCCH)	C(CC[6a]C)(CHNO)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	121.9420	0.000	1	121.9420	0.000	1	121.9420	0.000	1	121.9420	0.000	1	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]2)(CCCH)	C(CC[6a]C)(CH3)2(H)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]2)(CCCH)	C(CC[6a]C)(CH3)2(H)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	115.8460	0.000	1	115.8460	0.000	1	115.4445	0.322	2	117.4660	12.421	3	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]H)(CCCH)	C(CC[6a]C)(CH3)2(H)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]H)(CCCH)	C(CC[6a]C)(CH3)2(H)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	115.0430	0.000	1	115.0430	0.000	1	115.4445	0.322	2	117.4660	12.421	3	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a]Fe)(CCCH)	C(CC[6a]N)(CFeCH)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(NC[6a]Fe)(CCCH)	C(CC[6a]N)(CFeCH)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	121.5090	0.000	1	121.5090	0.000	1	121.5090	0.000	1	117.4660	12.421	3	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:4:4:2:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(CCCO)	C(CC[6a]C)(CH3)2(OH)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CCCO)	C(CC[6a]C)(CH3)2(OH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	112.6310	0.202	2	112.6310	0.041	2	112.6310	0.041	2	112.6310	0.041	2	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:4:4:3:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:C-4:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]H)(CC3)	C(CC[6a]C)(CIrHH)(CH3)(CCC)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]H)(CC3)	C(CC[6a]C)(CIrHH)(CH3)(CCC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	117.5220	0.000	1	117.5220	0.000	1	118.6105	2.370	2	118.6105	2.370	2	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:4:4:3:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:C-4:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]Ir)(CC3)	C(CC[6a]C)(CIrHH)(CH3)(CCC)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]Ir)(CC3)	C(CC[6a]C)(CIrHH)(CH3)(CCC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	119.6990	0.000	1	119.6990	0.000	1	118.6105	2.370	2	118.6105	2.370	2	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:4:4:4:	3:3:3:	C[4]-3:C[6a]-3:C-4:	C-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:C-3:	C(C[4]Si[4]C[4])(C[6a]C[6a]2)(CC3)	C(CC[6a]C[4])(CH3)3	C[6a](C[6a]C[6a]H)2(CC[4]C)	C(C[4]Si[4]C[4])(C[6a]C[6a]2)(CC3)	C(CC[6a]C[4])(CH3)3	C[6a](C[6a]C[6a]H)2(CC[4]C){1|C<3>,2|H<1>}	113.6840	0.000	1	113.6840	0.000	1	113.6840	0.000	1	115.2440	2.339	14	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5]-3:C[6a]-3:C-4:	C-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:C-3:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(CC3)	C(CC[6a]C[5])(CH3)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]C)	C(C[5]C[5]S[5])(C[6a]C[6a]2)(CC3)	C(CC[6a]C[5])(CH3)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]C){1|C<3>,2|H<1>}	116.1078	1.067	6	116.1078	1.139	6	116.1078	1.139	6	115.2440	2.339	14	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:4:4:4:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CB[5]C)(CC3)	C(CC[6a]C)(CH3)3	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CB[5]C)(CC3)	C(CC[6a]C)(CH3)3	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	116.1880	0.000	1	116.1880	0.000	1	114.7410	3.183	6	115.2440	2.339	14	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:4:4:4:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(CC3)	C(CC[6a]C)(CH3)3	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CC3)	C(CC[6a]C)(CH3)3	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	112.9265	0.042	2	112.9265	0.002	2	114.7410	3.183	6	115.2440	2.339	14	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:4:4:4:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CLiSi)(CC3)	C(CC[6a]C)(CH3)3	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CLiSi)(CC3)	C(CC[6a]C)(CH3)3	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	113.7420	0.000	1	113.7420	0.000	1	114.7410	3.183	6	115.2440	2.339	14	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:4:4:4:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CSi[4]H)(CC3)	C(CC[6a]C)(CH3)3	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CSi[4]H)(CC3)	C(CC[6a]C)(CH3)3	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	115.5640	0.000	1	115.5640	0.000	1	114.7410	3.183	6	115.2440	2.339	14	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:4:4:4:	3:3:3:	C[6a]-3:C-3:C-4:	C-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CZrC)(CC3)	C(CC[6a]C)(CH3)3	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CZrC)(CC3)	C(CC[6a]C)(CH3)3	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	117.0990	0.000	1	117.0990	0.000	1	114.7410	3.183	6	115.2440	2.339	14	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	3:4:4:4:	3:3:3:	C[6a]-3:C[5]-3:C-4:	C-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(CC3)	C(CC[6a]C[5])(CH3)3	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2)(CC3)	C(CC[6a]C[5])(CH3)3	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	114.6390	0.000	1	114.6390	0.000	1	114.6390	0.000	1	115.2440	2.339	14	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	4:3:1:1:	3:3:3:	C[5]-3:C[6a]-3:C-4:	C[6]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CC[6]HH)	C(C[6]C[6,6a]C[6]H)(CC[6a]C[5])(H)2	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CC[6]HH)	C(C[6]C[6,6a]C[6]H)(CC[6a]C[5])(H)2	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	114.1730	0.000	1	114.1730	0.000	1	114.8420	0.895	2	116.1485	1.060	21	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	4:3:1:1:	3:3:3:	C[5]-3:C[6a]-3:C-4:	C[6]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CC[6]HH)	C(C[6]C[6,6a]O[6]H)(CC[6a]C[5])(H)2	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CC[6]HH)	C(C[6]C[6,6a]O[6]H)(CC[6a]C[5])(H)2	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	115.5110	0.000	1	115.5110	0.000	1	114.8420	0.895	2	116.1485	1.060	21	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	4:3:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]H)(CCHH)	C(CC[6a]HN)(CC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]H)(CCHH)	C(CC[6a]HN)(CC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	116.0260	0.605	2	116.0260	0.366	2	116.0260	0.366	2	116.1485	1.060	21	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	4:3:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	C[5]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]Ti)(CC[5]HH)	C(C[5]C[5]2Ti)(CC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]Ti)(CC[5]HH)	C(C[5]C[5]2Ti)(CC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	113.4620	0.000	1	113.4620	0.000	1	113.4620	0.000	1	116.1485	1.060	21	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	4:3:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	P-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]H)(CHHP)	C(PC[6a]2S)(CC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]H)(CHHP)	C(PC[6a]2S)(CC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	115.6820	0.000	1	115.6820	0.000	1	115.6820	0.000	1	116.1485	1.060	21	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	4:3:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	S-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[3]H)(CHHS)	C(SC[6a]OO)(CC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[3]H)(CHHS)	C(SC[6a]OO)(CC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	116.2540	0.000	1	116.2540	0.000	1	116.5200	0.142	2	116.1485	1.060	21	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	4:3:1:1:	3:3:3:	C[6a]-3:C-3:C-4:	S-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]H)(CHHS)	C(SC[6a]OO)(CC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]H)(CHHS)	C(SC[6a]OO)(CC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	116.7860	0.000	1	116.7860	0.000	1	116.5200	0.142	2	116.1485	1.060	21	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	4:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	Si-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(CSiHH)	C(SiC[6a]3)(CC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)2(CSiHH)	C(SiC[6a]3)(CC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	117.3935	0.600	2	117.3935	0.360	2	117.3935	0.360	2	116.1485	1.060	21	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	4:3:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a]Cr)(CCHH)	C(CC[5]CC)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(NC[6a]Cr)(CCHH)	C(CC[5]CC)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	115.8440	0.000	1	115.8440	0.000	1	115.8440	0.000	1	116.1485	1.060	21	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	4:3:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	P-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a]Ni)(CHHP)	C(PC[6a]2Ni)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(NC[6a]Ni)(CHHP)	C(PC[6a]2Ni)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	115.1200	0.000	1	115.1200	0.000	1	116.4567	0.460	10	116.1485	1.060	21	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	4:3:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	P-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a]Pd)(CHHP)	C(PC[6a]2Pd)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(NC[6a]Pd)(CHHP)	C(PC[6a]2Pd)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	116.6151	0.553	8	116.6151	0.306	8	116.4567	0.460	10	116.1485	1.060	21	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	4:3:1:1:	3:3:3:	C[6a]-3:N-3:C-4:	P-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a]Pt)(CHHP)	C(PC[6a]C[6]Pt)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(NC[6a]Pt)(CHHP)	C(PC[6a]C[6]Pt)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	116.5260	0.000	1	116.5260	0.000	1	116.4567	0.460	10	116.1485	1.060	21	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:3:4:	4:3:4:1:	3:3:3:	C[5]-3:C[6a]-3:C-4:	C[6]-4:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CC[6]CH)	C(C[6]C[6,6a]O[6]H)(CC[6a]C[5])(CH3)(H)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CC[6]CH)	C(C[6]C[6,6a]O[6]H)(CC[6a]C[5])(CH3)(H)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	117.0810	0.000	1	117.0810	0.000	1	117.0810	0.000	1	117.0810	0.000	1	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	2:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:C-3:	C(C[6a]C[6a]N[6a])(CH3)(O)	C(CC[6a]O)(H)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]N[6a])(CH3)(O)	C(CC[6a]O)(H)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CCO){1|C<3>,1|C<4>,1|N<3>}	118.7080	0.000	1	118.7080	0.000	1	117.3845	1.393	6	117.8269	2.530	7	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	2:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:C-3:	C(C[6a]C[6a]N[6a])(CH3)(O)	C(CC[6a]O)(H)3	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CCO)	C(C[6a]C[6a]N[6a])(CH3)(O)	C(CC[6a]O)(H)3	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CCO){2|C<3>}	117.4360	0.000	1	117.4360	0.000	1	117.3845	1.393	6	117.8269	2.530	7	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	2:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:C-3:	C(C[6a]C[6a]N[6a])(CH3)(O)	C(CC[6a]O)(H)3	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CCO)	C(C[6a]C[6a]N[6a])(CH3)(O)	C(CC[6a]O)(H)3	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CCO){2|C<3>}	118.8390	0.000	1	118.8390	0.000	1	117.3845	1.393	6	117.8269	2.530	7	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	2:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:C-3:	C(C[6a]C[6a]N[6a])(CH3)(O)	C(CC[6a]O)(H)3	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CCO)	C(C[6a]C[6a]N[6a])(CH3)(O)	C(CC[6a]O)(H)3	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CCO){1|C<4>,2|C<3>}	116.4413	0.461	3	116.4413	0.213	3	117.3845	1.393	6	117.8269	2.530	7	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	2:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	S[6a]-2:C[6a]-3:C-3:	C(C[6a]C[6a]S[6a])(CH3)(O)	C(CC[6a]O)(H)3	C[6a](S[6a]B[5x3,5x5,20x6,6a])(C[6a]S[6a]H)(CCO)	C(C[6a]C[6a]S[6a])(CH3)(O)	C(CC[6a]O)(H)3	C[6a](S[6a]B[5x3,5x5,20x6,6a])(C[6a]S[6a]H)(CCO){5|B<6>}	120.4810	0.000	1	120.4810	0.000	1	120.4810	0.000	1	117.8269	2.530	7	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:2:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-2:C-3:	C(C[6a]C[5a,6a]N[6a])(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CCO)	C(C[6a]C[5a,6a]N[6a])(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CCO){1|H<1>,4|C<3>}	118.2500	0.000	1	118.2500	0.000	1	118.2500	0.000	1	117.9859	0.467	15	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:2:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6,6a]-3:N[6a]-2:C-3:	C(C[6a]C[6,6a]N[6a])(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]N[6a])(CCO)	C(C[6a]C[6,6a]N[6a])(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]N[6a])(CCO){1|C<4>,1|O<1>,2|C<3>}	116.1570	0.000	1	116.1570	0.000	1	116.1570	0.000	1	117.9859	0.467	15	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:2:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-3:	C(C[6a]C[6a]N[6a])(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO)	C(C[6a]C[6a]N[6a])(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO){1|H<1>,2|C<3>}	118.2811	0.440	9	118.1063	0.244	13	118.1063	0.244	13	117.9859	0.467	15	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:2:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-3:	C(C[6a]C[6a]N[6a])(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO)	C(C[6a]C[6a]N[6a])(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO){3|C<3>}	117.7130	0.403	4	118.1063	0.244	13	118.1063	0.244	13	117.9859	0.467	15	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(C)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CH3)(C)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	123.7970	0.000	1	123.7970	0.000	1	123.7970	0.000	1	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:F-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(F)	C(CC[6a]F)(H)3	C[6a](C[6a]C[6a]H)2(CCF)	C(C[6a]C[6a]2)(CH3)(F)	C(CC[6a]F)(H)3	C[6a](C[6a]C[6a]H)2(CCF){1|C<3>,2|H<1>}	124.9430	0.000	1	124.9430	0.000	1	124.9430	0.000	1	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]H)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	C(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]H)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,1|C<4>,1|H<1>}	114.7185	1.527	2	116.1905	3.730	4	116.3175	1.988	8	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]H)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	C(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]H)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|C<4>}	117.6625	0.439	2	116.1905	3.730	4	116.3175	1.988	8	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]H)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]H)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|Br<1>,1|C<3>,1|C<4>}	115.4590	0.000	1	115.4590	0.000	1	116.3175	1.988	8	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]H)(H)3	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]H)(H)3	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	116.3265	0.326	2	116.3265	0.106	2	116.3175	1.988	8	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]H)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]H)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	117.6660	0.000	1	117.6660	0.000	1	116.3175	1.988	8	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:Br-1:Br-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CBr2H)(O)	C(CC[6a]O)(Br)2(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CCO)	C(C[6a]C[6a]2)(CBr2H)(O)	C(CC[6a]O)(Br)2(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CCO){2|C<3>}	119.2443	0.431	3	119.2443	0.186	3	118.8093	0.881	4	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:Br-1:Br-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CBr2H)(O)	C(CC[6a]O)(Br)2(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CBr2H)(O)	C(CC[6a]O)(Br)2(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	117.5040	0.000	1	117.5040	0.000	1	118.8093	0.881	4	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:Br-1:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C(C[6a]C[6a,6a]2)(CBrHH)(O)	C(CC[6a]O)(Br)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCO)	C(C[6a]C[6a,6a]2)(CBrHH)(O)	C(CC[6a]O)(Br)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCO){2|H<1>,5|C<3>}	112.6730	0.000	1	112.6730	0.000	1	112.6730	0.000	1	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:Br-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(CBrHH)(O)	C(CC[6a]O)(Br)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a,6a]C[6a])(CBrHH)(O)	C(CC[6a]O)(Br)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCO){2|H<1>,3|C<3>}	118.7210	0.000	1	118.7210	0.000	1	118.7210	0.000	1	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:Br-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CBrHH)(O)	C(CC[6a]O)(Br)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CCO)	C(C[6a]C[6a]2)(CBrHH)(O)	C(CC[6a]O)(Br)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CCO){2|C<3>}	119.0073	0.382	3	119.0073	0.146	3	116.9947	1.791	14	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:Br-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CBrHH)(O)	C(CC[6a]O)(Br)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CBrHH)(O)	C(CC[6a]O)(Br)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	117.5640	0.000	1	117.5640	0.000	1	116.9947	1.791	14	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:Br-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CBrHH)(O)	C(CC[6a]O)(Br)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CBrHH)(O)	C(CC[6a]O)(Br)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|H<1>,1|N<3>}	116.7525	0.499	2	116.3340	0.683	10	116.9947	1.791	14	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:Br-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CBrHH)(O)	C(CC[6a]O)(Br)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CBrHH)(O)	C(CC[6a]O)(Br)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|H<1>,1|O<2>}	115.8040	0.000	1	116.3340	0.683	10	116.9947	1.791	14	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:Br-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CBrHH)(O)	C(CC[6a]O)(Br)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CBrHH)(O)	C(CC[6a]O)(Br)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|C<4>}	115.6620	0.000	1	116.3340	0.683	10	116.9947	1.791	14	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:Br-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CBrHH)(O)	C(CC[6a]O)(Br)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CBrHH)(O)	C(CC[6a]O)(Br)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	116.7114	0.668	5	116.3340	0.683	10	116.9947	1.791	14	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:Br-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CBrHH)(O)	C(CC[6a]O)(Br)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CBrHH)(O)	C(CC[6a]O)(Br)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|H<1>,2|C<3>}	114.8120	0.000	1	116.3340	0.683	10	116.9947	1.791	14	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:Cl-1:Cl-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCl2H)(O)	C(CC[6a]O)(Cl)2(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCl2H)(O)	C(CC[6a]O)(Cl)2(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.0870	0.000	1	118.0870	0.000	1	118.0870	0.000	1	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:Cl-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-3:	C(C[6a]C[5,6a]C[6a])(CClHH)(O)	C(CC[6a]O)(Cl)(H)2	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CCO)	C(C[6a]C[5,6a]C[6a])(CClHH)(O)	C(CC[6a]O)(Cl)(H)2	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CCO){1|Cl<1>,1|C<4>,3|C<3>}	115.9985	0.062	2	115.9985	0.004	2	115.9985	0.004	2	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:Cl-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CClHH)(O)	C(CC[6a]O)(Cl)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CClHH)(O)	C(CC[6a]O)(Cl)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	116.5850	0.000	1	116.5850	0.000	1	116.9293	0.373	12	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:Cl-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CClHH)(O)	C(CC[6a]O)(Cl)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CClHH)(O)	C(CC[6a]O)(Cl)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	117.1940	0.000	1	117.1940	0.000	1	116.9293	0.373	12	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:Cl-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CClHH)(O)	C(CC[6a]O)(Cl)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CClHH)(O)	C(CC[6a]O)(Cl)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	116.9373	0.659	10	116.9373	0.435	10	116.9293	0.373	12	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:F-1:F-1:F-1:	C[5a,6a]-3:C[6a]-3:C-3:	C(C[6a]C[5a,6a]C[6a])(CF3)(O)	C(CC[6a]O)(F)3	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CCO)	C(C[6a]C[5a,6a]C[6a])(CF3)(O)	C(CC[6a]O)(F)3	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CCO){1|H<1>,1|S<2>,3|C<3>}	117.7765	0.412	4	117.7765	0.170	4	117.7765	0.170	4	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:F-1:F-1:F-1:	C[6a,6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(CF3)(O)	C(CC[6a]O)(F)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a,6a]C[6a])(CF3)(O)	C(CC[6a]O)(F)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO){1|H<1>,1|N<3>,3|C<3>}	117.1990	0.000	1	118.5465	3.632	2	118.5465	3.632	2	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:F-1:F-1:F-1:	C[6a,6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(CF3)(O)	C(CC[6a]O)(F)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a,6a]C[6a])(CF3)(O)	C(CC[6a]O)(F)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO){2|H<1>,3|C<3>}	119.8940	0.000	1	118.5465	3.632	2	118.5465	3.632	2	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CF3)(O)	C(CC[6a]O)(F)3	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CF3)(O)	C(CC[6a]O)(F)3	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	117.4165	0.162	2	117.4165	0.026	2	118.6863	0.476	14	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CF3)(O)	C(CC[6a]O)(F)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	C(C[6a]C[6a]2)(CF3)(O)	C(CC[6a]O)(F)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,2|H<1>}	118.9505	0.793	2	118.9693	0.315	3	118.6863	0.476	14	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CF3)(O)	C(CC[6a]O)(F)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	C(C[6a]C[6a]2)(CF3)(O)	C(CC[6a]O)(F)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|Cl<1>,1|C<3>,1|H<1>}	119.0070	0.000	1	118.9693	0.315	3	118.6863	0.476	14	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CF3)(O)	C(CC[6a]O)(F)3	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CF3)(O)	C(CC[6a]O)(F)3	C[6a](C[6a]C[6a]H)2(CCO){1|Br<1>,1|C<3>,1|H<1>}	119.3480	0.000	1	118.8741	0.219	9	118.6863	0.476	14	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CF3)(O)	C(CC[6a]O)(F)3	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CF3)(O)	C(CC[6a]O)(F)3	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|H<1>,1|N<3>}	119.3380	0.000	1	118.8741	0.219	9	118.6863	0.476	14	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CF3)(O)	C(CC[6a]O)(F)3	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CF3)(O)	C(CC[6a]O)(F)3	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.7401	0.445	7	118.8741	0.219	9	118.6863	0.476	14	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	B[6a,6a]-3:C[6a]-3:C-3:	C(C[6a]B[6a,6a]C[6a])(CH3)(O)	C(CC[6a]O)(H)3	C[6a](B[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(CCO)	C(C[6a]B[6a,6a]C[6a])(CH3)(O)	C(CC[6a]O)(H)3	C[6a](B[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(CCO){1|H<1>,4|C<3>}	119.6327	1.113	3	119.6327	1.240	3	119.6327	1.240	3	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-3:	C(C[6a]C[5,6a]C[6a])(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CCO)	C(C[6a]C[5,6a]C[6a])(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CCO){1|C<3>,5|C<4>}	117.2790	0.000	1	117.5635	0.162	2	120.0817	3.692	9	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-3:	C(C[6a]C[5,6a]C[6a])(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CCO)	C(C[6a]C[5,6a]C[6a])(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CCO){1|O<1>,4|C<3>}	117.8480	0.000	1	117.5635	0.162	2	120.0817	3.692	9	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-3:	C(C[6a]C[5,6a]C[6a])(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CCO)	C(C[6a]C[5,6a]C[6a])(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CCO){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	117.7320	0.000	1	117.7320	0.000	1	120.0817	3.692	9	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-3:	C(C[6a]C[5,6a]C[6a])(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(CCO)	C(C[6a]C[5,6a]C[6a])(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(CCO){1|C<3>,1|H<1>,2|C<4>}	120.1790	0.000	1	121.3127	0.415	6	120.0817	3.692	9	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-3:	C(C[6a]C[5,6a]C[6a])(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(CCO)	C(C[6a]C[5,6a]C[6a])(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(CCO){2|C<3>,2|C<4>}	121.5394	0.365	5	121.3127	0.415	6	120.0817	3.692	9	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-3:	C(C[6a]C[5a,6a]C[6a])(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]O)(CCO)	C(C[6a]C[5a,6a]C[6a])(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]O)(CCO){1|O<2>,4|C<3>}	121.5890	0.000	1	121.5890	0.000	1	119.3952	2.279	6	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-3:	C(C[6a]C[5a,6a]C[6a])(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCO)	C(C[6a]C[5a,6a]C[6a])(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCO){1|C<4>,4|C<3>}	117.0000	0.000	1	118.6910	2.445	3	119.3952	2.279	6	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-3:	C(C[6a]C[5a,6a]C[6a])(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCO)	C(C[6a]C[5a,6a]C[6a])(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCO){1|O<2>,2|C<3>,2|H<1>}	119.5365	0.776	2	118.6910	2.445	3	119.3952	2.279	6	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-3:	C(C[6a]C[5a,6a]C[6a])(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CCO)	C(C[6a]C[5a,6a]C[6a])(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CCO){1|H<1>,1|N<2>,2|C<3>}	119.6710	0.000	1	119.6710	0.000	1	119.3952	2.279	6	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-3:	C(C[6a]C[5a,6a]C[6a])(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CCO)	C(C[6a]C[5a,6a]C[6a])(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CCO){2|C<3>,2|N<2>}	119.0380	0.000	1	119.0380	0.000	1	119.3952	2.279	6	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-3:	C(C[6a]C[6,6a]C[6a])(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(CCO)	C(C[6a]C[6,6a]C[6a])(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(CCO){1|C<3>,3|C<4>}	123.4490	0.000	1	123.4490	0.000	1	119.2364	10.221	10	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-3:	C(C[6a]C[6,6a]C[6a])(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a,6a]H)(CCO)	C(C[6a]C[6,6a]C[6a])(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a,6a]H)(CCO){1|O<1>,4|C<3>}	114.6900	0.000	1	114.6900	0.000	1	119.2364	10.221	10	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-3:	C(C[6a]C[6,6a]C[6a])(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(CCO)	C(C[6a]C[6,6a]C[6a])(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(CCO){1|H<1>,1|O<1>,3|C<3>}	116.2390	0.000	1	116.2390	0.000	1	119.2364	10.221	10	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-3:	C(C[6a]C[6,6a]C[6a])(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CCO)	C(C[6a]C[6,6a]C[6a])(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CCO){1|H<1>,1|O<1>,3|C<3>}	117.7818	0.989	4	117.7818	0.978	4	119.2364	10.221	10	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-3:	C(C[6a]C[6,6a]C[6a])(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CCO)	C(C[6a]C[6,6a]C[6a])(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CCO){1|C<4>,2|C<3>,2|H<1>}	120.4760	0.000	1	120.4760	0.000	1	119.2364	10.221	10	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-3:	C(C[6a]C[6,6a]C[6a])(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]O)(CCO)	C(C[6a]C[6,6a]C[6a])(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]O)(CCO){1|C<4>,3|C<3>}	122.7640	0.000	1	122.7640	0.000	1	119.2364	10.221	10	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-3:	C(C[6a]C[6,6a]C[6a])(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CCO)	C(C[6a]C[6,6a]C[6a])(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CCO){1|C<3>,3|C<4>}	123.6190	0.000	1	123.6190	0.000	1	119.2364	10.221	10	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:C-3:	C(C[6a]C[6a,6a]C[5,6a])(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[5,6a]C[5,6a]C[5])(CCO)	C(C[6a]C[6a,6a]C[5,6a])(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[5,6a]C[5,6a]C[5])(CCO){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	113.9890	0.000	1	113.9890	0.000	1	113.9890	0.000	1	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C(C[6a]C[6a,6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCO)	C(C[6a]C[6a,6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCO){2|H<1>,5|C<3>}	118.0789	0.777	7	118.0789	0.603	7	118.0789	0.603	7	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a,6a]C[6a])(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCO){1|H<1>,4|C<3>}	118.8130	1.106	2	118.7032	0.383	11	118.2130	3.147	24	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a,6a]C[6a])(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCO){2|H<1>,3|C<3>}	118.6788	0.568	9	118.7032	0.383	11	118.2130	3.147	24	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCO)	C(C[6a]C[6a,6a]C[6a])(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCO){1|H<1>,1|N<3>,3|C<3>}	116.9870	0.000	1	116.4920	0.617	3	118.2130	3.147	24	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCO)	C(C[6a]C[6a,6a]C[6a])(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCO){1|H<1>,1|O<2>,3|C<3>}	115.5860	0.000	1	116.4920	0.617	3	118.2130	3.147	24	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCO)	C(C[6a]C[6a,6a]C[6a])(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCO){2|H<1>,3|C<3>}	116.9030	0.000	1	116.4920	0.617	3	118.2130	3.147	24	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a,6a]C[6a])(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO){1|H<1>,1|N<3>,3|C<3>}	115.8670	0.000	1	117.7194	3.150	7	118.2130	3.147	24	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a,6a]C[6a])(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO){1|H<1>,1|O<2>,3|C<3>}	116.9420	0.773	3	117.7194	3.150	7	118.2130	3.147	24	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a,6a]C[6a])(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO){2|H<1>,3|C<3>}	119.1143	1.819	3	117.7194	3.150	7	118.2130	3.147	24	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C)(CCO)	C(C[6a]C[6a,6a]C[6a])(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C)(CCO){1|H<1>,3|C<3>}	115.7560	0.000	1	115.7560	0.000	1	118.2130	3.147	24	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CCO)	C(C[6a]C[6a,6a]C[6a])(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CCO){1|H<1>,3|C<3>}	121.0540	3.605	2	121.0540	12.995	2	118.2130	3.147	24	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[5a,6a]-3:C-3:	C(C[6a]C[5a,6a]C[6a])(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCO)	C(C[6a]C[5a,6a]C[6a])(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCO){7|C<3>}	117.2600	0.000	1	117.2600	0.000	1	117.2600	0.000	1	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CCO){1|C<3>,1|C<4>,1|H<1>}	119.3440	0.000	1	118.6987	0.377	4	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CCO){1|Si<4>,1|C<3>,1|H<1>}	118.7930	0.042	2	118.6987	0.377	4	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CCO){3|C<3>}	117.8650	0.000	1	118.6987	0.377	4	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCO){1|C<3>,1|C<4>,1|H<1>}	118.8100	0.000	1	118.8568	0.016	5	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCO){1|C<3>,1|H<1>,1|O<2>}	119.0830	0.000	1	118.8568	0.016	5	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCO){1|Si<4>,1|C<3>,1|H<1>}	118.7970	0.015	3	118.8568	0.016	5	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,1|C<4>,1|H<1>}	120.7670	0.668	2	120.7670	0.446	2	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(CCO){1|Br<1>,1|C<3>,1|C<4>}	117.0570	0.000	1	117.0570	0.000	1	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]C)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]C)(CCO){4|C<3>}	119.6350	0.383	2	119.6350	0.147	2	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCO){1|C<3>,1|H<1>,1|N<2>}	120.2500	0.000	1	119.1527	0.528	12	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	119.1162	0.671	10	119.1527	0.528	12	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCO){3|C<3>}	118.4200	0.000	1	119.1527	0.528	12	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CCO){1|H<1>,2|C<3>}	120.1153	0.820	3	120.1153	0.672	3	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(CCO){1|C<3>,1|H<1>,1|N<3>}	120.4805	0.360	4	120.4805	0.129	4	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(CCO){1|H<1>,2|C<3>,2|O<2>}	123.3890	0.000	1	123.3890	0.000	1	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(CCO){1|C<3>,1|C<4>,1|H<1>}	119.0305	0.006	2	119.0305	0.000	2	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(CCO){1|C<3>,1|C<4>,1|O<2>}	119.5730	0.000	1	119.6765	0.021	2	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(CCO){1|H<1>,2|C<3>}	119.7800	0.000	1	119.6765	0.021	2	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(CCO){1|Br<1>,1|C<3>,1|C<4>}	118.1715	0.869	4	118.1715	0.754	4	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCO){1|C<3>,1|C<4>,1|H<1>}	118.8610	0.518	4	118.9561	0.220	7	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCO){1|C<3>,1|H<1>,1|N<3>}	118.5540	0.000	1	118.9561	0.220	7	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCO){1|C<3>,1|H<1>,1|O<2>}	119.2890	0.000	1	118.9561	0.220	7	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	119.4060	0.000	1	118.9561	0.220	7	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,1|C<4>,1|H<1>}	118.8810	0.000	1	118.8810	0.000	1	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]C)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]C)(CCO){1|C<3>,1|C<4>}	117.4940	0.000	1	117.4940	0.000	1	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CCO){1|C<3>,1|C<4>,1|H<1>}	120.0195	0.470	2	120.1445	0.164	6	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CCO){1|C<3>,2|C<4>}	120.5370	0.327	2	120.1445	0.164	6	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	119.8770	0.092	2	120.1445	0.164	6	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CCO){1|C<3>,1|C<4>,1|H<1>}	123.3130	0.000	1	123.6495	0.226	2	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CCO){1|H<1>,2|C<3>}	123.9860	0.000	1	123.6495	0.226	2	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C)(CCO){2|C<3>}	116.2810	0.317	3	116.2810	0.100	3	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a,6a]C)(C[6a]O[6a]O)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a,6a]C)(C[6a]O[6a]O)(CCO){2|C<3>}	118.1525	1.487	2	118.1525	2.211	2	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(CCO){4|C<3>}	117.3660	2.026	4	117.3660	4.107	4	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CCO){1|C<4>,4|C<3>}	117.0750	0.000	1	117.5507	0.436	6	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CCO){1|H<1>,4|C<3>}	118.1890	0.632	2	117.5507	0.436	6	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CCO){4|C<3>}	117.2837	0.512	3	117.5507	0.436	6	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CCO){1|H<1>,2|C<3>}	119.7550	0.000	1	119.7550	0.000	1	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]F)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]F)(CCO){1|C<3>,1|H<1>,1|O<2>}	120.9090	0.479	2	120.9090	0.230	2	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO){1|C<3>,1|H<1>,1|N<3>}	118.7503	0.166	3	118.9594	0.187	7	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	119.1163	0.528	4	118.9594	0.187	7	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(CCO){2|C<3>}	118.3973	1.298	3	118.3973	1.685	3	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CCO){2|C<3>}	121.0875	1.054	20	121.0875	1.111	20	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CCO){1|O<2>,2|C<3>}	119.2850	0.228	2	119.2850	0.052	2	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)(CCO){2|C<3>}	120.0055	2.111	2	120.0055	4.455	2	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a,6a]N)(C[6a]O[6a]O)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a,6a]N)(C[6a]O[6a]O)(CCO){2|C<3>}	121.7190	0.000	1	121.7190	0.000	1	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(CCO){1|H<1>,2|C<3>}	125.3190	0.492	2	125.3190	0.242	2	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	120.7920	0.000	1	119.9993	0.791	4	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCO){1|O<2>,2|C<3>}	119.7350	0.876	3	119.9993	0.791	4	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CCO){1|H<1>,2|C<3>}	122.7190	0.000	1	122.7190	0.000	1	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CCO){2|C<3>}	119.8240	0.000	1	119.8240	0.000	1	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(CCO){2|C<3>}	123.6410	0.000	1	123.6410	0.000	1	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCO){1|H<1>,1|O<2>,3|C<3>}	121.1510	0.000	1	119.0058	3.170	5	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCO){2|H<1>,3|C<3>}	118.4695	1.520	4	119.0058	3.170	5	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(CCO){2|H<1>,3|C<3>}	115.5260	0.000	1	115.5260	0.000	1	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(CCO){1|C<2>,3|C<3>}	116.5685	0.503	2	116.2617	0.409	3	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(CCO){1|H<1>,3|C<3>}	115.6480	0.000	1	116.2617	0.409	3	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]2)2(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]2)2(CCO){7|C<3>}	117.5770	0.511	3	117.5770	0.261	3	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	121.0880	0.000	1	121.0880	0.000	1	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO){1|C<3>,1|C<4>,1|H<1>}	118.1807	1.043	3	118.5583	1.776	7	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	120.9740	0.000	1	118.5583	1.776	7	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO){1|C<4>,2|C<3>}	117.6040	0.065	2	118.5583	1.776	7	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	119.1840	0.000	1	118.5583	1.776	7	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCO){1|C<3>,1|H<1>,1|S<2>}	124.2170	0.000	1	123.2942	6.367	5	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	124.4720	0.546	3	123.2942	6.367	5	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCO){1|H<1>,2|C<3>}	118.8380	0.000	1	123.2942	6.367	5	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CCO){2|C<3>}	118.4653	0.911	6	118.4653	0.830	6	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]C)2(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]C)2(CCO){1|C<3>,1|C<4>,1|H<1>}	117.8024	1.202	5	116.5567	3.889	8	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]C)2(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]C)2(CCO){1|C<3>,2|C<4>}	114.4807	0.616	3	116.5567	3.889	8	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCO){1|C<4>,2|C<3>,3|H<1>}	118.1880	0.225	2	118.1880	0.051	2	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO){1|C<3>,1|H<1>,1|O<2>}	120.6490	0.000	1	119.1490	4.500	2	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	117.6490	0.000	1	119.1490	4.500	2	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CCO){1|C<3>,2|H<1>}	120.3750	0.000	1	120.3750	0.000	1	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|Br<1>,1|C<3>,1|H<1>}	119.6010	0.000	1	119.2290	0.158	18	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,1|H<1>,1|O<2>}	118.2090	0.000	1	119.2290	0.158	18	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,2|H<1>}	119.2154	0.290	14	119.2290	0.158	18	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|Pt<4>,1|C<3>,1|H<1>}	119.8330	0.000	1	119.2290	0.158	18	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){2|Br<1>,1|C<3>}	119.4640	0.000	1	119.2290	0.158	18	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|Br<1>,1|C<3>,1|H<1>}	119.7540	0.027	2	120.6728	0.997	57	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<2>,1|C<3>,1|H<1>}	120.0367	0.164	4	120.6728	0.997	57	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,1|C<4>,1|H<1>}	120.1275	2.995	2	120.6728	0.997	57	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,1|H<1>,1|N<2>}	120.5493	0.523	8	120.6728	0.997	57	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,1|H<1>,1|N<3>}	120.2470	0.109	2	120.6728	0.997	57	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,1|H<1>,1|O<2>}	121.1983	1.469	3	120.6728	0.997	57	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|C<4>}	120.5795	0.128	4	120.6728	0.997	57	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	120.8315	1.093	27	120.6728	0.997	57	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|O<2>}	119.8890	0.000	1	120.6728	0.997	57	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<4>,2|C<3>}	121.4245	1.061	2	120.6728	0.997	57	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|H<1>,2|C<3>}	121.2250	0.045	2	120.6728	0.997	57	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCO){1|C<3>,2|H<1>}	119.7540	0.000	1	119.7540	0.000	1	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCO){1|B<3>,1|C<4>,1|I<1>}	120.2460	0.000	1	120.2460	0.000	1	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCO){1|S<2>,2|C<3>}	121.9730	0.000	1	121.9730	0.000	1	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|C<4>,1|H<1>}	119.4935	0.582	4	119.1977	0.884	214	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|H<1>,1|N<2>}	119.1505	0.988	11	119.1977	0.884	214	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|H<1>,1|N<3>}	119.2641	0.681	19	119.1977	0.884	214	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|H<1>,1|N<4>}	119.5290	0.484	2	119.1977	0.884	214	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|H<1>,1|O<2>}	119.4702	0.562	5	119.1977	0.884	214	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|N<3>,1|O<2>}	118.8330	0.000	1	119.1977	0.884	214	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.2354	0.969	147	119.1977	0.884	214	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|O<2>}	118.8060	0.307	2	119.1977	0.884	214	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)2(CCO){1|Cl<1>,1|C<3>,1|H<1>}	119.8300	0.000	1	119.1977	0.884	214	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)2(CCO){1|H<1>,2|C<3>}	118.7205	0.127	6	119.1977	0.884	214	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)2(CCO){1|Ir<8>,1|C<3>,1|H<1>}	119.2370	0.000	1	119.1977	0.884	214	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)2(CCO){1|N<2>,2|H<1>}	118.8077	1.462	12	119.1977	0.884	214	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)2(CCO){1|O<2>,2|C<3>}	119.1430	0.000	1	119.1977	0.884	214	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)2(CCO){1|Pd<4>,1|C<3>,1|H<1>}	118.4840	0.710	2	119.1977	0.884	214	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	122.8710	0.000	1	122.8710	0.000	1	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]N)(C[6a]N[6a]C)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]N)(C[6a]N[6a]C)(CCO){1|C<2>,1|C<3>}	120.0610	0.000	1	120.0610	0.000	1	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]N)2(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]N)2(CCO){1|C<3>,1|H<1>,1|O<2>}	118.2130	0.000	1	118.2130	0.000	1	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]C)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]C)(CCO){4|C<3>}	117.7530	0.000	1	117.7530	0.000	1	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CCO){4|C<3>}	118.2840	0.000	1	118.2840	0.000	1	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(CCO){1|C<3>,1|H<1>}	120.9880	0.000	1	120.9880	0.000	1	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]O)2(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]O)2(CCO){1|C<3>,1|C<4>,1|H<1>}	122.8860	0.317	6	122.6675	3.171	25	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]O)2(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]O)2(CCO){1|C<3>,1|H<1>,1|O<2>}	123.2120	0.000	1	122.6675	3.171	25	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]O)2(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]O)2(CCO){1|C<3>,2|C<4>}	122.6762	0.352	4	122.6675	3.171	25	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]O)2(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]O)2(CCO){1|C<3>,2|H<1>}	122.1600	2.788	7	122.6675	3.171	25	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]O)2(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]O)2(CCO){1|H<1>,2|C<3>}	122.2752	2.699	4	122.6675	3.171	25	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]O)2(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]O)2(CCO){3|C<3>}	123.7443	0.360	3	122.6675	3.171	25	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	119.9440	0.000	1	119.9440	0.000	1	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]N[6a,6a]O)(C[6a]N[6a]C)(CCO)	C(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]O)(H)3	C[6a](C[6a]N[6a,6a]O)(C[6a]N[6a]C)(CCO){2|C<3>}	119.1520	0.000	1	119.1520	0.000	1	119.6215	2.837	490	119.3258	3.463	616	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:2:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CN)(H)2	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CN)(H)2	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CCO){1|C<3>,1|C<4>}	119.8850	0.000	1	120.5035	0.765	2	120.5035	0.765	2	118.0136	1.304	115	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:2:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CN)(H)2	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CN)(H)2	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CCO){1|C<3>,2|C<4>}	121.1220	0.000	1	120.5035	0.765	2	120.5035	0.765	2	118.0136	1.304	115	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:2:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:N-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-3:	C(C[6a]C[5,6a]C[6a])(CHHN)(O)	C(CC[6a]O)(NN)(H)2	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CCO)	C(C[6a]C[5,6a]C[6a])(CHHN)(O)	C(CC[6a]O)(NN)(H)2	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CCO){1|Cl<1>,1|C<4>,3|C<3>}	116.4690	0.000	1	116.4690	0.000	1	116.4690	0.000	1	118.0136	1.304	115	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:2:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHN)(O)	C(CC[6a]O)(NC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CHHN)(O)	C(CC[6a]O)(NC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.2760	0.000	1	118.2760	0.000	1	118.1428	0.209	10	118.0136	1.304	115	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:2:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHN)(O)	C(CC[6a]O)(NN)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CHHN)(O)	C(CC[6a]O)(NN)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.1280	0.482	9	118.1280	0.232	9	118.1428	0.209	10	118.0136	1.304	115	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:2:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHO)(O)	C(CC[6a]O)(OC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CHHO)(O)	C(CC[6a]O)(OC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCO){2|H<1>,3|C<3>}	117.8495	0.914	4	117.8495	0.836	4	117.9165	1.419	67	118.0136	1.304	115	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:2:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHO)(O)	C(CC[6a]O)(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CHHO)(O)	C(CC[6a]O)(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	117.3320	0.000	1	117.3320	0.000	1	117.9165	1.419	67	118.0136	1.304	115	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:2:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHO)(O)	C(CC[6a]O)(OC)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CHHO)(O)	C(CC[6a]O)(OC)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	121.7340	0.000	1	121.7340	0.000	1	117.9165	1.419	67	118.0136	1.304	115	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:2:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHO)(O)	C(CC[6a]O)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CHHO)(O)	C(CC[6a]O)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	117.6258	0.759	43	117.6258	0.577	43	117.9165	1.419	67	118.0136	1.304	115	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:2:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHO)(O)	C(CC[6a]O)(OC)(H)2	C[6a](C[6a]C[6a]O)2(CCO)	C(C[6a]C[6a]2)(CHHO)(O)	C(CC[6a]O)(OC)(H)2	C[6a](C[6a]C[6a]O)2(CCO){1|C<3>,2|H<1>}	122.6670	0.000	1	122.6670	0.000	1	117.9165	1.419	67	118.0136	1.304	115	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:2:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHO)(O)	C(CC[6a]O)(OC[5a])(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CHHO)(O)	C(CC[6a]O)(OC[5a])(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	117.1175	0.950	2	117.1175	0.902	2	117.9165	1.419	67	118.0136	1.304	115	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:2:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHO)(O)	C(CC[6a]O)(OC[6a])(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CHHO)(O)	C(CC[6a]O)(OC[6a])(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCO){1|H<1>,1|O<2>,3|C<3>}	121.2970	0.000	1	121.2970	0.000	1	117.9165	1.419	67	118.0136	1.304	115	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:2:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHO)(O)	C(CC[6a]O)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(C[6a]C[6a]2)(CHHO)(O)	C(CC[6a]O)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	119.4280	0.249	2	119.4280	0.062	2	117.9165	1.419	67	118.0136	1.304	115	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:2:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHO)(O)	C(CC[6a]O)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CHHO)(O)	C(CC[6a]O)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.0066	0.638	7	118.0066	0.407	7	117.9165	1.419	67	118.0136	1.304	115	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:2:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHO)(O)	C(CC[6a]O)(OH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	C(C[6a]C[6a]2)(CHHO)(O)	C(CC[6a]O)(OH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,1|H<1>,1|I<1>}	119.5180	0.000	1	119.5180	0.000	1	117.9165	1.419	67	118.0136	1.304	115	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:2:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHO)(O)	C(CC[6a]O)(OH)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CHHO)(O)	C(CC[6a]O)(OH)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	117.1985	1.020	2	117.1985	1.041	2	117.9165	1.419	67	118.0136	1.304	115	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:2:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHO)(O)	C(CC[6a]O)(ON)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CHHO)(O)	C(CC[6a]O)(ON)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	117.6890	0.000	1	117.6890	0.000	1	117.9165	1.419	67	118.0136	1.304	115	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:2:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHO)(O)	C(CC[6a]O)(ON[5])(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CHHO)(O)	C(CC[6a]O)(ON[5])(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|Br<1>,1|C<3>,1|H<1>}	117.3290	0.000	1	117.3290	0.000	1	117.9165	1.419	67	118.0136	1.304	115	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:2:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHS)(O)	C(CC[6a]O)(SC)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CCO)	C(C[6a]C[6a]2)(CHHS)(O)	C(CC[6a]O)(SC)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CCO){2|C<3>}	119.2997	0.656	3	119.2997	0.430	3	118.0404	1.091	34	118.0136	1.304	115	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:2:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHS)(O)	C(CC[6a]O)(SC)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CHHS)(O)	C(CC[6a]O)(SC)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|H<1>,1|O<2>}	118.0150	0.000	1	117.8310	0.693	8	118.0404	1.091	34	118.0136	1.304	115	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:2:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHS)(O)	C(CC[6a]O)(SC)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CHHS)(O)	C(CC[6a]O)(SC)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	117.8047	0.895	7	117.8310	0.693	8	118.0404	1.091	34	118.0136	1.304	115	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:2:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHS)(O)	C(CC[6a]O)(SC[5])(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CHHS)(O)	C(CC[6a]O)(SC[5])(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	116.6400	1.377	2	116.6400	1.897	2	118.0404	1.091	34	118.0136	1.304	115	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:2:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHS)(O)	C(CC[6a]O)(SC[5a])(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CHHS)(O)	C(CC[6a]O)(SC[5a])(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	118.1535	1.931	2	118.1535	3.729	2	118.0404	1.091	34	118.0136	1.304	115	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:2:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHS)(O)	C(CC[6a]O)(SC[5a])(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CHHS)(O)	C(CC[6a]O)(SC[5a])(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.2251	1.021	11	118.2251	1.043	11	118.0404	1.091	34	118.0136	1.304	115	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:2:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHS)(O)	C(CC[6a]O)(SC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CHHS)(O)	C(CC[6a]O)(SC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|F<1>,1|H<1>}	118.5710	0.000	1	117.8454	0.641	8	118.0404	1.091	34	118.0136	1.304	115	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:2:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHS)(O)	C(CC[6a]O)(SC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CHHS)(O)	C(CC[6a]O)(SC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|H<1>,1|O<2>}	118.0940	0.933	2	117.8454	0.641	8	118.0404	1.091	34	118.0136	1.304	115	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:2:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHS)(O)	C(CC[6a]O)(SC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CHHS)(O)	C(CC[6a]O)(SC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	117.6008	0.817	5	117.8454	0.641	8	118.0404	1.091	34	118.0136	1.304	115	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:2:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:Se-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CSeHH)(O)	C(CC[6a]O)(SeC)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CSeHH)(O)	C(CC[6a]O)(SeC)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|C<4>,1|H<1>}	118.8810	0.000	1	118.8810	0.000	1	118.8810	0.000	1	118.0136	1.304	115	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:2:2:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:O-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHOO)(O)	C(CC[6a]O)(OC)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CHOO)(O)	C(CC[6a]O)(OC)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.4477	0.090	3	119.4477	0.008	3	118.6150	2.779	4	119.5379	2.263	8	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:2:2:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:O-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHOO)(O)	C(CC[6a]O)(OH)2(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CHOO)(O)	C(CC[6a]O)(OH)2(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	116.1170	0.000	1	116.1170	0.000	1	118.6150	2.779	4	119.5379	2.263	8	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:2:2:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:S-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHOS)(O)	C(CC[6a]O)(SC[6a])(OC)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CHOS)(O)	C(CC[6a]O)(SC[6a])(OC)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	120.4608	0.480	4	120.4608	0.231	4	120.4608	0.231	4	119.5379	2.263	8	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:2:3:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:Se-2:S-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CSeHS)(O)	C(CC[6a]O)(SeC[6a])(SCO)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CSeHS)(O)	C(CC[6a]O)(SeC[6a])(SCO)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.8030	0.000	1	118.8030	0.000	1	118.8030	0.000	1	118.8030	0.000	1	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:2:4:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:N-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHN)(O)	C(CC[6a]O)(NC[6a])(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHN)(O)	C(CC[6a]O)(NC[6a])(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	120.6230	0.000	1	120.6230	0.000	1	120.6230	0.000	1	119.8643	3.341	6	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:2:4:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHO)(O)	C(CC[6a]O)(OC[6a])(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHO)(O)	C(CC[6a]O)(OC[6a])(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.7500	0.547	2	118.7500	0.300	2	120.2510	6.909	3	119.8643	3.341	6	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:2:4:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHO)(O)	C(CC[6a]O)(ON[5])(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHO)(O)	C(CC[6a]O)(ON[5])(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	123.2530	0.000	1	123.2530	0.000	1	120.2510	6.909	3	119.8643	3.341	6	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:2:4:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:S-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHS)(O)	C(CC[6a]O)(SC[6a])(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHS)(O)	C(CC[6a]O)(SC[6a])(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.7990	0.000	1	118.7990	0.000	1	118.7990	0.000	1	119.8643	3.341	6	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:2:4:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:Se-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CSeCH)(O)	C(CC[6a]O)(SeC[6a])(CCHS)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CSeCH)(O)	C(CC[6a]O)(SeC[6a])(CCHS)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.0110	0.000	1	119.0110	0.000	1	119.0110	0.000	1	119.8643	3.341	6	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	2:3:3:	C[6a]-3:C-4:O-1:	C[6a]-3:C-3:H-1:O-1:	N[6a]-2:C[6a]-3:C-3:	C(C[6a]C[6a]N[6a])(CC[6a]HO)(O)	C(C[6a]C[6a]N[6a])(CC[6a]O)(H)(O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(CCO)	C(C[6a]C[6a]N[6a])(CC[6a]HO)(O)	C(C[6a]C[6a]N[6a])(CC[6a]O)(H)(O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(CCO){2|C<3>}	117.8810	0.000	1	117.8810	0.000	1	117.8810	0.000	1	117.8810	0.000	1	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-3:Br-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CBrCH)(O)	C(CC[6a]O)2(Br)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CBrCH)(O)	C(CC[6a]O)2(Br)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.9048	1.744	4	118.9048	3.043	4	118.9048	3.043	4	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-3:Cl-1:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCl2C)(O)	C(CC[5a]O)(CC[6a]O)(Cl)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCl2C)(O)	C(CC[5a]O)(CC[6a]O)(Cl)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.2160	0.000	1	118.2160	0.000	1	118.2160	0.000	1	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-3:F-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCFH)(O)	C(CC[6a]O)(CCC)(F)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CCFH)(O)	C(CC[6a]O)(CCC)(F)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO){1|Cl<1>,1|C<3>,1|H<1>}	119.2365	0.759	2	119.2365	0.576	2	119.5368	1.173	6	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-3:F-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCFH)(O)	C(CC[6a]O)2(F)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCFH)(O)	C(CC[6a]O)2(F)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.6870	1.294	4	119.6870	1.673	4	119.5368	1.173	6	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]C)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]F)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]C)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]F)2(CCO){1|C<3>,2|F<1>}	118.6810	0.000	1	118.6810	0.000	1	118.7221	1.480	22	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]C)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]C)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.7725	0.053	2	118.7725	0.003	2	118.7221	1.480	22	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]C[5])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]C[5])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	115.7880	0.000	1	115.7880	0.000	1	118.7221	1.480	22	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCC)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCC)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	118.3270	0.000	1	118.3270	0.000	1	118.7221	1.480	22	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCC)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCC)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.7685	0.094	2	118.7685	0.009	2	118.7221	1.480	22	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCH)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCH)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|C<4>,1|H<1>}	120.4965	0.647	2	120.4965	0.419	2	118.7221	1.480	22	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCN)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCN)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.5940	0.000	1	118.5940	0.000	1	118.7221	1.480	22	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CC[5]C)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CC[5]C)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	117.9305	0.886	2	117.9305	0.785	2	118.7221	1.480	22	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CN[6]C)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CN[6]C)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.1947	0.591	4	118.1947	0.350	4	118.7221	1.480	22	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(COO)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(COO)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	120.1480	0.000	1	119.2065	1.773	2	118.7221	1.480	22	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(COO)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(COO)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|O<2>}	118.2650	0.000	1	119.2065	1.773	2	118.7221	1.480	22	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	121.0370	0.000	1	121.0370	0.000	1	118.7221	1.480	22	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	118.0750	0.000	1	119.2155	2.601	2	118.7221	1.480	22	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|H<1>,2|C<3>}	120.3560	0.000	1	119.2155	2.601	2	118.7221	1.480	22	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)2(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)2(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	117.9000	0.000	1	117.9000	0.000	1	118.7221	1.480	22	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:N-3:F-1:F-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CFFN)(O)	C(CC[6a]O)(NCN)(F)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CFFN)(O)	C(CC[6a]O)(NCN)(F)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.7000	0.000	1	119.7000	0.000	1	119.7000	0.000	1	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHN)(O)	C(CC[6a]O)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	C(C[6a]C[6a]2)(CHHN)(O)	C(CC[6a]O)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,2|H<1>}	119.6260	0.000	1	119.6260	0.000	1	118.2927	0.573	11	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHN)(O)	C(CC[6a]O)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CHHN)(O)	C(CC[6a]O)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.9460	0.000	1	118.9460	0.000	1	118.2927	0.573	11	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHN)(O)	C(CC[6a]O)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CHHN)(O)	C(CC[6a]O)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.1537	0.228	3	118.1537	0.052	3	118.2927	0.573	11	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHN)(O)	C(CC[6a]O)(NC[5a]S)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CHHN)(O)	C(CC[6a]O)(NC[5a]S)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	117.3330	0.000	1	117.3330	0.000	1	118.2927	0.573	11	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHN)(O)	C(CC[6a]O)(NC[6a]C)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CHHN)(O)	C(CC[6a]O)(NC[6a]C)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	117.9630	0.000	1	117.9630	0.000	1	118.2927	0.573	11	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHN)(O)	C(CC[6a]O)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CHHN)(O)	C(CC[6a]O)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.9580	0.000	1	118.9580	0.000	1	118.2927	0.573	11	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHN)(O)	C(CC[6a]O)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CHHN)(O)	C(CC[6a]O)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	117.9777	0.892	3	117.9777	0.795	3	118.2927	0.573	11	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHS)(O)	C(CC[6a]O)(SCC)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CHHS)(O)	C(CC[6a]O)(SCC)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	117.6770	0.000	1	117.6770	0.000	1	118.6395	1.853	2	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHS)(O)	C(CC[6a]O)(SC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CHHS)(O)	C(CC[6a]O)(SC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.6020	0.000	1	119.6020	0.000	1	118.6395	1.853	2	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[5]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5]HH)(O)	C(C[5]C[5]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[5]HH)(O)	C(C[5]C[5]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.4660	0.000	1	118.4660	0.000	1	118.5840	0.593	3	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[5]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5]HH)(O)	C(C[5]C[5]N[5])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[5]HH)(O)	C(C[5]C[5]N[5])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.4060	0.000	1	119.4060	0.000	1	118.5840	0.593	3	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[5]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5]HH)(O)	C(C[5]N[5]O[5])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[5]HH)(O)	C(C[5]N[5]O[5])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	117.8800	0.000	1	117.8800	0.000	1	118.5840	0.593	3	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[5a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5a]HH)(O)	C(C[5a]C[5a,6a]C[5a,6])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[5a]HH)(O)	C(C[5a]C[5a,6a]C[5a,6])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.2130	0.025	2	119.2130	0.001	2	118.6863	1.355	16	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[5a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5a]HH)(O)	C(C[5a]C[5a,6a]C[5a])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[5a]HH)(O)	C(C[5a]C[5a,6a]C[5a])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.4910	0.000	2	118.4910	0.000	2	118.6863	1.355	16	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[5a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5a]HH)(O)	C(C[5a]C[5a]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[5a]HH)(O)	C(C[5a]C[5a]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.0880	0.000	1	118.0880	0.000	1	118.6863	1.355	16	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[5a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5a]HH)(O)	C(C[5a]C[5a]N[5a])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(C[6a]C[6a]2)(CC[5a]HH)(O)	C(C[5a]C[5a]N[5a])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	121.1500	0.000	1	121.1500	0.000	1	118.6863	1.355	16	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[5a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5a]HH)(O)	C(C[5a]C[5a]O[5a])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(C[6a]C[6a]2)(CC[5a]HH)(O)	C(C[5a]C[5a]O[5a])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	120.3920	0.000	1	120.3920	0.000	1	118.6863	1.355	16	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[5a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5a]HH)(O)	C(C[5a]C[5a]O[5a])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[5a]HH)(O)	C(C[5a]C[5a]O[5a])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.0903	0.757	3	118.0903	0.574	3	118.6863	1.355	16	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[5a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5a]HH)(O)	C(C[5a]C[5a]S[5a])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[5a]HH)(O)	C(C[5a]C[5a]S[5a])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.7990	0.000	1	118.7990	0.000	1	118.6863	1.355	16	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[5a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5a]HH)(O)	C(C[5a]N[5a,6a]N[5a])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CC[5a]HH)(O)	C(C[5a]N[5a,6a]N[5a])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCO){1|N<3>,2|C<3>,2|H<1>}	116.3140	0.000	1	116.3140	0.000	1	118.6863	1.355	16	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[5a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5a]HH)(O)	C(C[5a]N[5a,6a]N[5a])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[5a]HH)(O)	C(C[5a]N[5a,6a]N[5a])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	117.3590	0.000	1	117.3590	0.000	1	118.6863	1.355	16	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[5a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5a]HH)(O)	C(C[5a]N[5a]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[5a]HH)(O)	C(C[5a]N[5a]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.8750	0.300	2	118.8750	0.090	2	118.6863	1.355	16	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[5a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5a]HH)(O)	C(C[5a]N[5a]S[5a])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[5a]HH)(O)	C(C[5a]N[5a]S[5a])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.4500	0.000	1	119.4500	0.000	1	118.6863	1.355	16	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6]-3:C-3:Br-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6]BrH)(O)	C(C[6]C[6]N[6])(CC[6a]O)(Br)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6]BrH)(O)	C(C[6]C[6]N[6])(CC[6a]O)(Br)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	117.8610	0.000	1	117.8610	0.000	1	117.8610	0.000	1	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6]HH)(O)	C(C[6]C[6]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6]HH)(O)	C(C[6]C[6]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.2520	0.000	1	119.2520	0.000	1	119.1795	0.011	2	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6]HH)(O)	C(C[6]C[6]O[6])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6]HH)(O)	C(C[6]C[6]O[6])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.1070	0.000	1	119.1070	0.000	1	119.1795	0.011	2	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6a]-3:C-3:Br-1:Br-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]Br2)(O)	C(C[6a]C[6a]2)(CC[6a]O)(Br)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	C(C[6a]C[6a]2)(CC[6a]Br2)(O)	C(C[6a]C[6a]2)(CC[6a]O)(Br)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,2|H<1>}	119.2850	0.000	1	119.2850	0.000	1	119.2850	0.000	1	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6a]-3:C-3:Cl-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]ClH)(O)	C(C[6a]C[6a]2)(CC[6a]O)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]ClH)(O)	C(C[6a]C[6a]2)(CC[6a]O)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	117.2650	0.000	1	117.2650	0.000	1	117.2650	0.000	1	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6a]-3:C-3:F-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]FH)(O)	C(C[6a]C[6a]2)(CC[6a]O)(F)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]FH)(O)	C(C[6a]C[6a]2)(CC[6a]O)(F)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.0970	0.697	2	118.0970	0.486	2	118.0970	0.486	2	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]HH)(O)	C(C[6a]C[5a,6a]C[6a])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]HH)(O)	C(C[6a]C[5a,6a]C[6a])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.4820	0.000	1	119.4820	0.000	1	118.7276	1.351	37	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]HH)(O)	C(C[6a]C[6a]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(CCO)	C(C[6a]C[6a]2)(CC[6a]HH)(O)	C(C[6a]C[6a]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(CCO){3|C<3>}	117.9355	0.081	2	117.9355	0.007	2	118.7276	1.351	37	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]HH)(O)	C(C[6a]C[6a]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CC[6a]HH)(O)	C(C[6a]C[6a]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	118.7830	0.000	1	118.7830	0.000	1	118.7276	1.351	37	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]HH)(O)	C(C[6a]C[6a]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]N)(CCO)	C(C[6a]C[6a]2)(CC[6a]HH)(O)	C(C[6a]C[6a]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]N)(CCO){2|C<3>}	119.0360	0.000	1	119.0360	0.000	1	118.7276	1.351	37	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]HH)(O)	C(C[6a]C[6a]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CC[6a]HH)(O)	C(C[6a]C[6a]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO){1|C<3>,1|H<1>,1|O<2>}	118.7940	0.000	1	118.7940	0.000	1	118.7276	1.351	37	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]HH)(O)	C(C[6a]C[6a]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CC[6a]HH)(O)	C(C[6a]C[6a]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	120.7720	0.000	1	120.7720	0.000	1	118.7276	1.351	37	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]HH)(O)	C(C[6a]C[6a]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(C[6a]C[6a]2)(CC[6a]HH)(O)	C(C[6a]C[6a]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,1|C<4>,1|H<1>}	122.0500	0.000	1	119.1879	3.804	8	118.7276	1.351	37	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]HH)(O)	C(C[6a]C[6a]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(C[6a]C[6a]2)(CC[6a]HH)(O)	C(C[6a]C[6a]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,1|H<1>,1|O<2>}	119.1720	0.000	1	119.1879	3.804	8	118.7276	1.351	37	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]HH)(O)	C(C[6a]C[6a]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(C[6a]C[6a]2)(CC[6a]HH)(O)	C(C[6a]C[6a]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	118.0852	1.145	5	119.1879	3.804	8	118.7276	1.351	37	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]HH)(O)	C(C[6a]C[6a]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(C[6a]C[6a]2)(CC[6a]HH)(O)	C(C[6a]C[6a]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|Cl<1>,1|C<3>,1|H<1>}	121.8550	0.000	1	119.1879	3.804	8	118.7276	1.351	37	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]HH)(O)	C(C[6a]C[6a]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]HH)(O)	C(C[6a]C[6a]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|H<1>,1|O<2>}	118.6470	0.426	2	118.4980	0.642	21	118.7276	1.351	37	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]HH)(O)	C(C[6a]C[6a]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]HH)(O)	C(C[6a]C[6a]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.4824	0.837	19	118.4980	0.642	21	118.7276	1.351	37	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]HH)(O)	C(C[6a]C[6a]N[6a])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]HH)(O)	C(C[6a]C[6a]N[6a])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.2230	0.000	1	118.2230	0.000	1	118.7276	1.351	37	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	N[5]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CN[5]HH)(O)	C(N[5]C[5,6]C[5])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CN[5]HH)(O)	C(N[5]C[5,6]C[5])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.5385	0.059	2	118.5385	0.003	2	117.7265	1.784	28	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	N[5]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CN[5]HH)(O)	C(N[5]C[5,6a]N[5])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CN[5]HH)(O)	C(N[5]C[5,6a]N[5])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	117.3510	2.201	2	117.3510	4.842	2	117.7265	1.784	28	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	N[5]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CN[5]HH)(O)	C(N[5]C[5]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CN[5]HH)(O)	C(N[5]C[5]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	116.2437	0.864	3	116.2437	0.747	3	117.7265	1.784	28	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	N[5]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CN[5]HH)(O)	C(N[5]C[5]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CN[5]HH)(O)	C(N[5]C[5]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	116.1720	0.000	1	116.1720	0.000	1	117.7265	1.784	28	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	N[5]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CN[5]HH)(O)	C(N[5]C[5]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CN[5]HH)(O)	C(N[5]C[5]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	117.9877	0.597	11	117.9877	0.357	11	117.7265	1.784	28	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	N[5]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CN[5]HH)(O)	C(N[5]C[5]S[5])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CN[5]HH)(O)	C(N[5]C[5]S[5])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	118.5315	3.002	2	118.5315	9.010	2	117.7265	1.784	28	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	N[5]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CN[5]HH)(O)	C(N[5]C[5]S[5])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CN[5]HH)(O)	C(N[5]C[5]S[5])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	118.6335	3.351	2	118.6335	11.229	2	117.7265	1.784	28	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	N[5]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CN[5]HH)(O)	C(N[5]C[5]S[5])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CN[5]HH)(O)	C(N[5]C[5]S[5])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|H<1>,1|O<2>}	117.8720	0.000	1	117.8498	0.298	4	117.7265	1.784	28	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	N[5]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CN[5]HH)(O)	C(N[5]C[5]S[5])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CN[5]HH)(O)	C(N[5]C[5]S[5])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	117.5480	0.000	1	117.8498	0.298	4	117.7265	1.784	28	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	N[5]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CN[5]HH)(O)	C(N[5]C[5]S[5])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CN[5]HH)(O)	C(N[5]C[5]S[5])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|Cl<1>,1|C<3>,1|H<1>}	117.9895	0.873	2	117.8498	0.298	4	117.7265	1.784	28	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	N[5]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CN[5]HH)(O)	C(N[5]N[5]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CN[5]HH)(O)	C(N[5]N[5]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	116.0650	0.000	1	116.0650	0.000	1	117.7265	1.784	28	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	N[5a]-3:C-3:Br-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CN[5a]BrH)(O)	C(N[5a]C[5a]N[5a])(CC[6a]O)(Br)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CN[5a]BrH)(O)	C(N[5a]C[5a]N[5a])(CC[6a]O)(Br)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	118.8980	0.000	1	118.8980	0.000	1	118.8980	0.000	1	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	N[5a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CN[5a]HH)(O)	C(N[5a]C[5a,6a]C[5a])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CN[5a]HH)(O)	C(N[5a]C[5a,6a]C[5a])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	117.4723	0.369	3	117.4723	0.136	3	117.5473	1.182	31	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	N[5a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CN[5a]HH)(O)	C(N[5a]C[5a,6a]N[5a])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CN[5a]HH)(O)	C(N[5a]C[5a,6a]N[5a])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	116.7270	0.000	1	116.7270	0.000	1	117.5473	1.182	31	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	N[5a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CN[5a]HH)(O)	C(N[5a]C[5a]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CN[5a]HH)(O)	C(N[5a]C[5a]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	118.3485	2.003	2	118.3485	4.013	2	117.5473	1.182	31	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	N[5a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CN[5a]HH)(O)	C(N[5a]C[5a]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CN[5a]HH)(O)	C(N[5a]C[5a]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	120.2650	0.000	1	120.2650	0.000	1	117.5473	1.182	31	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	N[5a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CN[5a]HH)(O)	C(N[5a]C[5a]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CN[5a]HH)(O)	C(N[5a]C[5a]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	117.9353	0.603	7	117.9353	0.364	7	117.5473	1.182	31	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	N[5a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CN[5a]HH)(O)	C(N[5a]C[5a]N[5a])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CN[5a]HH)(O)	C(N[5a]C[5a]N[5a])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	118.9520	0.000	1	118.9520	0.000	1	117.5473	1.182	31	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	N[5a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CN[5a]HH)(O)	C(N[5a]C[5a]N[5a])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CN[5a]HH)(O)	C(N[5a]C[5a]N[5a])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	117.1173	0.961	15	117.1173	0.923	15	117.5473	1.182	31	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	N[5a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CN[5a]HH)(O)	C(N[5a]N[5a]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CN[5a]HH)(O)	C(N[5a]N[5a]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	116.6010	0.000	1	116.6010	0.000	1	117.5473	1.182	31	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	N[6]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CN[6]HH)(O)	C(N[6]C[6]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CN[6]HH)(O)	C(N[6]C[6]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	116.0850	0.000	1	116.0850	0.000	1	117.4862	2.978	21	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	N[6]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CN[6]HH)(O)	C(N[6]C[6]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CN[6]HH)(O)	C(N[6]C[6]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	117.2286	1.786	14	117.2286	3.189	14	117.4862	2.978	21	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	N[6]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CN[6]HH)(O)	C(N[6]C[6]S[6])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CN[6]HH)(O)	C(N[6]C[6]S[6])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|H<1>,1|O<2>}	116.7100	0.000	1	118.3210	2.207	6	117.4862	2.978	21	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	N[6]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CN[6]HH)(O)	C(N[6]C[6]S[6])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CN[6]HH)(O)	C(N[6]C[6]S[6])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.2445	0.479	4	118.3210	2.207	6	117.4862	2.978	21	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	N[6]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CN[6]HH)(O)	C(N[6]C[6]S[6])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CN[6]HH)(O)	C(N[6]C[6]S[6])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|Cl<1>,1|C<3>,1|H<1>}	116.2380	0.000	1	118.3210	2.207	6	117.4862	2.978	21	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CN[6a]HH)(O)	C(N[6a]C[6,6a]C[6a])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CN[6a]HH)(O)	C(N[6a]C[6,6a]C[6a])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|H<1>,1|N<3>}	118.2040	0.000	1	118.2040	0.000	1	117.9971	1.020	10	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CN[6a]HH)(O)	C(N[6a]C[6a]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CN[6a]HH)(O)	C(N[6a]C[6a]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	117.9741	1.068	9	117.9741	1.141	9	117.9971	1.020	10	118.2296	1.738	201	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:2:1:	3:2:3:	C[6a]-3:C-4:O-1:	N[5a]-3:C-3:O-2:H-1:	C[6a]-3:N[6a]-2:C-3:	C(C[6a]C[6a]N[6a])(CN[5a]HO)(O)	C(N[5a]C[5a]N[5a])(CC[6a]O)(OC[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO)	C(C[6a]C[6a]N[6a])(CN[5a]HO)(O)	C(N[5a]C[5a]N[5a])(CC[6a]O)(OC[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO){1|C<3>,2|H<1>}	115.7020	0.000	1	115.7020	0.000	1	115.7020	0.000	1	115.7020	0.000	1	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:2:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHO)(O)	C(CC[6a]C)(CC[6a]O)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHO)(O)	C(CC[6a]C)(CC[6a]O)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.8550	0.000	1	119.8550	0.000	1	119.7325	0.162	4	119.3347	0.939	21	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:2:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHO)(O)	C(CC[6a]O)(CCH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHO)(O)	C(CC[6a]O)(CCH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.3540	0.000	1	119.3540	0.000	1	119.7325	0.162	4	119.3347	0.939	21	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:2:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHO)(O)	C(CC[6a]O)2(ON[6])(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHO)(O)	C(CC[6a]O)2(ON[6])(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.8605	0.544	2	119.8605	0.296	2	119.7325	0.162	4	119.3347	0.939	21	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:2:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-3:S-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHS)(O)	C(CC[6a]O)(CNO)(SC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CCHS)(O)	C(CC[6a]O)(CNO)(SC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	119.9205	0.284	2	119.9205	0.080	2	119.9205	0.080	2	119.3347	0.939	21	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:2:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:N-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHNO)(O)	C(CC[6a]O)(NCN)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CHNO)(O)	C(CC[6a]O)(NCN)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.1130	0.000	1	119.1130	0.000	1	119.1130	0.000	1	119.3347	0.939	21	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:2:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[5a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5a]HO)(O)	C(C[5a]C[5a,6a]C[5a])(CC[6a]O)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[5a]HO)(O)	C(C[5a]C[5a,6a]C[5a])(CC[6a]O)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	121.3800	0.000	1	121.3800	0.000	1	121.3800	0.000	1	119.3347	0.939	21	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:2:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6a]-3:C-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]HN)(O)	C(C[6a]C[6a]2)(CC[6a]O)(NN)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]HN)(O)	C(C[6a]C[6a]2)(CC[6a]O)(NN)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.7210	0.000	1	118.7210	0.000	1	118.7210	0.000	1	119.3347	0.939	21	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:2:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]HO)(O)	C(C[6a]C[6a]2)(CC[6a]O)(OP[5])(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]HO)(O)	C(C[6a]C[6a]2)(CC[6a]O)(OP[5])(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.6110	0.000	1	119.6110	0.000	1	119.7095	0.019	2	119.3347	0.939	21	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:2:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]HO)(O)	C(C[6a]C[6a]2)(CC[6a]O)(OSi)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]HO)(O)	C(C[6a]C[6a]2)(CC[6a]O)(OSi)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.8080	0.000	1	119.8080	0.000	1	119.7095	0.019	2	119.3347	0.939	21	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:2:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6a]-3:C-3:S-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]HS)(O)	C(C[6a]C[6a]2)(CC[6a]O)(SC[6a])(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]HS)(O)	C(C[6a]C[6a]2)(CC[6a]O)(SC[6a])(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.9144	0.672	5	118.9144	0.451	5	118.9144	0.451	5	119.3347	0.939	21	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:2:1:	3:3:3:	C[6a]-3:C-4:O-1:	N[5]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CN[5]HO)(O)	C(N[5]C[5]2)(CC[6a]O)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CN[5]HO)(O)	C(N[5]C[5]2)(CC[6a]O)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	117.0560	0.000	1	117.0560	0.000	1	117.0560	0.000	1	119.3347	0.939	21	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:2:1:	3:3:3:	C[6a]-3:C-4:O-1:	N[5a]-3:C-3:S-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CN[5a]HS)(O)	C(N[5a]C[5a]N[5a])(CC[6a]O)(SC)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CN[5a]HS)(O)	C(N[5a]C[5a]N[5a])(CC[6a]O)(SC)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCO){1|C<3>,1|C<4>,1|H<1>}	120.8110	0.000	1	120.8110	0.000	1	119.2493	1.359	4	119.3347	0.939	21	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:2:1:	3:3:3:	C[6a]-3:C-4:O-1:	N[5a]-3:C-3:S-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CN[5a]HS)(O)	C(N[5a]C[5a]N[5a])(CC[6a]O)(SC)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CN[5a]HS)(O)	C(N[5a]C[5a]N[5a])(CC[6a]O)(SC)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.9840	0.658	2	118.9840	0.432	2	119.2493	1.359	4	119.3347	0.939	21	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:2:1:	3:3:3:	C[6a]-3:C-4:O-1:	N[5a]-3:C-3:S-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CN[5a]HS)(O)	C(N[5a]C[5a]N[5a])(CC[6a]O)(SC[6a])(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CN[5a]HS)(O)	C(N[5a]C[5a]N[5a])(CC[6a]O)(SC[6a])(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.2180	0.000	1	118.2180	0.000	1	119.2493	1.359	4	119.3347	0.939	21	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:2:2:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-3:N-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCNN)(O)	C(CC[6a]O)(COO)(NN)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCNN)(O)	C(CC[6a]O)(COO)(NN)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.8650	0.000	1	118.8650	0.000	1	118.8650	0.000	1	120.8283	3.094	3	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:2:2:	3:3:3:	C[6a]-3:C-4:O-1:	C[6a]-3:C-3:C-2:O-2:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]CO)(O)	C(C[6a]C[6a]2)(CC[6a]O)(CC)(OH)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]CO)(O)	C(C[6a]C[6a]2)(CC[6a]O)(CC)(OH)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	121.8100	0.638	2	121.8100	0.407	2	121.8100	0.407	2	120.8283	3.094	3	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]C)(CC[6a]O)2(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]C)(CC[6a]O)2(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.3660	1.154	2	118.3660	1.332	2	118.4392	0.558	9	118.8535	1.399	53	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]O)(CNO)2(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]O)(CNO)2(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.8200	0.000	1	119.8200	0.000	1	118.4392	0.558	9	118.8535	1.399	53	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]O)3(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]O)3(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.2335	0.438	6	118.2335	0.192	6	118.4392	0.558	9	118.8535	1.399	53	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHN)(O)	C(CC[6a]C)(CC[6a]O)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHN)(O)	C(CC[6a]C)(CC[6a]O)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.6390	0.000	1	118.6390	0.000	1	118.6390	0.000	1	118.8535	1.399	53	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:N-3:C-3:F-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCFN)(O)	C(CC[6a]O)(NC[6a]C)(CNO)(F)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCFN)(O)	C(CC[6a]O)(NC[6a]C)(CNO)(F)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	122.0715	0.422	2	122.0715	0.178	2	122.0715	0.178	2	118.8535	1.399	53	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:N-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHNN)(O)	C(CC[6a]O)(NC[5a]H)2(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CHNN)(O)	C(CC[6a]O)(NC[5a]H)2(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	117.1130	0.000	1	117.1130	0.000	1	117.1130	0.000	1	118.8535	1.399	53	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[5a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5a]HN)(O)	C(C[5a]C[5a,6a]C[5a])(CC[6a]O)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[5a]HN)(O)	C(C[5a]C[5a,6a]C[5a])(CC[6a]O)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.4990	0.000	1	119.4990	0.000	1	119.4990	0.000	1	118.8535	1.399	53	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[5a]-3:C[5a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5a]2H)(O)	C(C[5a]C[5a,6a]C[5a])2(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[5a]2H)(O)	C(C[5a]C[5a,6a]C[5a])2(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.3820	0.000	2	119.3820	0.000	2	119.9573	0.993	3	118.8535	1.399	53	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[5a]-3:C[5a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5a]2H)(O)	C(C[5a]C[5a]2)2(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[5a]2H)(O)	C(C[5a]C[5a]2)2(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	121.1080	0.000	1	121.1080	0.000	1	119.9573	0.993	3	118.8535	1.399	53	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6]-3:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6]CH)(O)	C(C[6]C[6]2)(CC[6a]O)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6]CH)(O)	C(C[6]C[6]2)(CC[6a]O)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.7890	0.993	4	118.7890	0.986	4	118.7890	0.986	4	118.8535	1.399	53	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6]-3:C[6]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6]2H)(O)	C(C[6]C[6]2)2(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6]2H)(O)	C(C[6]C[6]2)2(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.9260	0.000	1	118.9260	0.000	1	118.9260	0.000	1	118.8535	1.399	53	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6a]-3:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]CH)(O)	C(C[6a]C[6a]2)(CC[6a]O)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]CH)(O)	C(C[6a]C[6a]2)(CC[6a]O)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.1120	0.000	1	119.1120	0.000	1	118.9760	0.037	2	118.8535	1.399	53	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6a]-3:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]CH)(O)	C(C[6a]C[6a]2)(CC[6a]O)(CC[3]S)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]CH)(O)	C(C[6a]C[6a]2)(CC[6a]O)(CC[3]S)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.8400	0.000	1	118.8400	0.000	1	118.9760	0.037	2	118.8535	1.399	53	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]HN)(O)	C(C[6a]C[6a]2)(CC[6a]O)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]HN)(O)	C(C[6a]C[6a]2)(CC[6a]O)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.6814	0.412	5	118.7488	0.163	6	119.2985	0.585	11	118.8535	1.399	53	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]HN)(O)	C(C[6a]C[6a]2)(CC[6a]O)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]HN)(O)	C(C[6a]C[6a]2)(CC[6a]O)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|N<2>,2|H<1>}	119.0860	0.000	1	118.7488	0.163	6	119.2985	0.585	11	118.8535	1.399	53	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]HN)(O)	C(C[6a]C[6a]2)(CC[6a]O)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]HN)(O)	C(C[6a]C[6a]2)(CC[6a]O)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	120.0740	0.511	4	120.0740	0.261	4	119.2985	0.585	11	118.8535	1.399	53	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]HN)(O)	C(C[6a]C[6a]2)(CC[6a]O)(NC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]HN)(O)	C(C[6a]C[6a]2)(CC[6a]O)(NC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.4950	0.000	1	119.4950	0.000	1	119.2985	0.585	11	118.8535	1.399	53	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]2H)(O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]2H)(O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.5625	0.284	6	118.5625	0.081	6	118.7561	0.312	12	118.8535	1.399	53	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]2H)(O)	C(C[6a]C[6a]2)2(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]2H)(O)	C(C[6a]C[6a]2)2(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.9497	0.718	6	118.9497	0.515	6	118.7561	0.312	12	118.8535	1.399	53	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:O-1:	N[5a]-3:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CN[5a]CH)(O)	C(N[5a]C[5a]N[5a])(CC[6a]O)(CNS)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CN[5a]CH)(O)	C(N[5a]C[5a]N[5a])(CC[6a]O)(CNS)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.3047	0.559	4	118.3047	0.313	4	118.3047	0.313	4	118.8535	1.399	53	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:O-1:	N[5a]-3:N[5a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CN[5a]2H)(O)	C(N[5a]C[5a,6a]N[5a])(N[5a]C[5a]N[5a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CN[5a]2H)(O)	C(N[5a]C[5a,6a]N[5a])(N[5a]C[5a]N[5a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	115.9240	0.000	1	115.7020	0.099	2	115.7020	0.099	2	118.8535	1.399	53	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:O-1:	N[5a]-3:N[5a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CN[5a]2H)(O)	C(N[5a]C[5a,6a]N[5a])(N[5a]C[5a]N[5a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CN[5a]2H)(O)	C(N[5a]C[5a,6a]N[5a])(N[5a]C[5a]N[5a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO){1|Cl<1>,1|C<3>,1|H<1>}	115.4800	0.000	1	115.7020	0.099	2	115.7020	0.099	2	118.8535	1.399	53	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:3:4:	3:3:3:	C[6a]-3:C-4:O-1:	C[6a]-3:C-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]CC)(O)	C(C[6a]C[6a]2)(CC[6a]O)(CB[5]C)(CCHH)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]CC)(O)	C(C[6a]C[6a]2)(CC[6a]O)(CB[5]C)(CCHH)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	121.3360	0.000	1	121.3360	0.000	1	121.3360	0.000	1	120.6935	0.826	2	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:3:4:	3:3:3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-3:C-4:	C[6a,6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(CC[6a]2C)(O)	C(C[6a]C[6a]2)2(CC[6a]O)(CHHN)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCO)	C(C[6a]C[6a,6a]C[6a])(CC[6a]2C)(O)	C(C[6a]C[6a]2)2(CC[6a]O)(CHHN)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCO){2|H<1>,3|C<3>}	120.0510	0.000	1	120.0510	0.000	1	120.0510	0.000	1	120.6935	0.826	2	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]O)(CN[5]O)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]O)(CN[5]O)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.3115	0.773	2	118.3115	0.597	2	119.3714	1.109	7	119.4459	0.850	29	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]O)(CN[5a]O)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]O)(CN[5a]O)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	121.0510	0.000	1	121.0510	0.000	1	119.3714	1.109	7	119.4459	0.850	29	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]O)2(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]O)2(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.7065	0.291	2	119.7065	0.084	2	119.3714	1.109	7	119.4459	0.850	29	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]O)2(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]O)2(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.2565	0.807	2	119.2565	0.651	2	119.3714	1.109	7	119.4459	0.850	29	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHN)(O)	C(CC[6a]O)(NC[6a]C)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHN)(O)	C(CC[6a]O)(NC[6a]C)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	120.3210	0.000	1	120.3210	0.000	1	119.4564	1.142	5	119.4459	0.850	29	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHN)(O)	C(CC[6a]O)(NC[6a]H)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHN)(O)	C(CC[6a]O)(NC[6a]H)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.4987	1.190	3	119.4987	1.417	3	119.4564	1.142	5	119.4459	0.850	29	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHN)(O)	C(CC[6a]O)(NC[6a]O)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHN)(O)	C(CC[6a]O)(NC[6a]O)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.4650	0.000	1	118.4650	0.000	1	119.4564	1.142	5	119.4459	0.850	29	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[5a]-3:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5a]CH)(O)	C(C[5a]C[5a,6a]C[5a])(CC[6a]O)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[5a]CH)(O)	C(C[5a]C[5a,6a]C[5a])(CC[6a]O)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.7395	0.066	2	119.7395	0.004	2	119.5190	0.084	4	119.4459	0.850	29	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[5a]-3:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5a]CH)(O)	C(C[5a]C[5a]2)(CC[6a]O)(CCCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CC[5a]CH)(O)	C(C[5a]C[5a]2)(CC[6a]O)(CCCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	119.1360	0.000	1	119.1360	0.000	1	119.5190	0.084	4	119.4459	0.850	29	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[5a]-3:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5a]CH)(O)	C(C[5a]C[5a]N[5a])(CC[6a]O)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[5a]CH)(O)	C(C[5a]C[5a]N[5a])(CC[6a]O)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.4610	0.000	1	119.4610	0.000	1	119.5190	0.084	4	119.4459	0.850	29	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6]-3:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6]CH)(O)	C(C[6]C[6]O[6])(CC[6a]O)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6]CH)(O)	C(C[6]C[6]O[6])(CC[6a]O)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.1280	0.000	1	119.1280	0.000	1	119.1280	0.000	1	119.4459	0.850	29	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6a]-3:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]CH)(O)	C(C[6a]C[6a]2)(CC[6a]O)(CCHH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CC[6a]CH)(O)	C(C[6a]C[6a]2)(CC[6a]O)(CCHH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	116.5380	0.000	1	116.5380	0.000	1	119.4601	1.206	11	119.4459	0.850	29	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6a]-3:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]CH)(O)	C(C[6a]C[6a]2)(CC[6a]O)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	C(C[6a]C[6a]2)(CC[6a]CH)(O)	C(C[6a]C[6a]2)(CC[6a]O)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,2|H<1>}	120.0790	0.000	1	120.0790	0.000	1	119.4601	1.206	11	119.4459	0.850	29	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6a]-3:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]CH)(O)	C(C[6a]C[6a]2)(CC[6a]O)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]CH)(O)	C(C[6a]C[6a]2)(CC[6a]O)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.1730	0.000	1	119.1730	0.000	1	119.4601	1.206	11	119.4459	0.850	29	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6a]-3:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]CH)(O)	C(C[6a]C[6a]2)(CC[6a]O)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]CH)(O)	C(C[6a]C[6a]2)(CC[6a]O)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.8292	0.637	6	119.8292	0.406	6	119.4601	1.206	11	119.4459	0.850	29	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6a]-3:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]CH)(O)	C(C[6a]C[6a]2)(CC[6a]O)(CHHO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CC[6a]CH)(O)	C(C[6a]C[6a]2)(CC[6a]O)(CHHO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	119.9070	0.000	1	119.9070	0.000	1	119.4601	1.206	11	119.4459	0.850	29	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6a]-3:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]CH)(O)	C(C[6a]C[6a]2)(CC[6a]O)(CHHS)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]CH)(O)	C(C[6a]C[6a]2)(CC[6a]O)(CHHS)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.3890	0.000	1	119.3890	0.000	1	119.4601	1.206	11	119.4459	0.850	29	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:O-1:	N[6]-3:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CN[6]CH)(O)	C(N[6]C[6]2)(CC[6a]O)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CN[6]CH)(O)	C(N[6]C[6]2)(CC[6a]O)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.7830	0.000	1	119.7830	0.000	1	119.7830	0.000	1	119.4459	0.850	29	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:4:2:	3:3:3:	C[6a]-3:C-4:O-1:	C[6a]-3:C-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]CO)(O)	C(C[6a]C[6a]2)(CC[6a]O)(CHHN)(OH)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]CO)(O)	C(C[6a]C[6a]2)(CC[6a]O)(CHHN)(OH)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	123.4060	0.000	1	123.4060	0.000	1	123.4060	0.000	1	120.4655	17.293	2	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:4:2:	3:3:3:	C[6a]-3:C-4:S-1:	C[6a]-3:C-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]CN)(S)	C(C[6a]C[6a]2)(CC[6a]S)(CH3)(NC)	C[6a](C[6a]C[6a]H)2(CCS)	C(C[6a]C[6a]2)(CC[6a]CN)(S)	C(C[6a]C[6a]2)(CC[6a]S)(CH3)(NC)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	117.5250	0.000	1	117.5250	0.000	1	117.5250	0.000	1	120.4655	17.293	2	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:4:3:	3:3:3:	C[6a]-3:C-4:O-1:	C[6a]-3:C-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]CC)(O)	C(C[6a]C[6a]N[6a])(CC[6a]O)(CH3)(COO)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]CC)(O)	C(C[6a]C[6a]N[6a])(CC[6a]O)(CH3)(COO)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	120.8770	0.000	1	120.8770	0.000	1	120.8770	0.000	1	119.1413	2.066	6	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:4:3:	3:3:3:	C[6a]-3:C-4:O-1:	C[6a]-3:C-3:C-4:N-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]CN)(O)	C(C[6a]C[6a]2)(CC[6a]O)(CH3)(NCH)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]CN)(O)	C(C[6a]C[6a]2)(CC[6a]O)(CH3)(NCH)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.0660	0.000	1	119.0660	0.000	1	119.0660	0.000	1	119.1413	2.066	6	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:4:3:	3:3:3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:S-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]2S)(O)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]2S)(O)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.8895	1.077	2	119.8895	1.160	2	119.8895	1.160	2	119.1413	2.066	6	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:4:3:	3:3:3:	C[6a]-3:C-4:S-1:	C[6a]-3:C-3:C-4:N-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]CN)(S)	C(C[6a]C[6a]2)(CC[6a]S)(CH3)(NCH)	C[6a](C[6a]C[6a]H)2(CCS)	C(C[6a]C[6a]2)(CC[6a]CN)(S)	C(C[6a]C[6a]2)(CC[6a]S)(CH3)(NCH)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	117.5630	0.222	2	117.5630	0.049	2	117.5630	0.049	2	119.1413	2.066	6	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:4:4:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC3)(O)	C(CC[6a]O)2(CH3)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC3)(O)	C(CC[6a]O)2(CH3)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	120.2980	0.000	1	120.2980	0.000	1	120.2980	0.000	1	120.7985	0.120	4	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:4:4:	3:3:3:	C[6a]-3:C-4:O-1:	C[6a]-3:C-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]CC)(O)	C(C[6a]C[6a]2)(CC[6a]O)(CBrHH)(CH3)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]CC)(O)	C(C[6a]C[6a]2)(CC[6a]O)(CBrHH)(CH3)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	121.0275	0.047	2	121.0275	0.002	2	120.9653	0.013	3	120.7985	0.120	4	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:3:4:4:	3:3:3:	C[6a]-3:C-4:O-1:	C[6a]-3:C-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]CC)(O)	C(C[6a]C[6a]2)(CC[6a]O)(CH3)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]CC)(O)	C(C[6a]C[6a]2)(CC[6a]O)(CH3)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	120.8410	0.000	1	120.8410	0.000	1	120.9653	0.013	3	120.7985	0.120	4	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:2:3:	C[6a]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-3:	C(C[6a]C[6a]N[6a])(CCHH)(O)	C(CC[6a]O)(CCHN)(H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCO)	C(C[6a]C[6a]N[6a])(CCHH)(O)	C(CC[6a]O)(CCHN)(H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCO){1|C<3>,1|H<1>}	118.0370	0.000	1	118.0370	0.000	1	118.0370	0.000	1	118.0370	0.000	1	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]H)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]H)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	116.0050	0.000	2	116.0050	0.000	2	123.5722	47.865	5	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]H)(CH3)(H)2	C[6a](C[6a]C[6a]C)2(CCH)	C(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]H)(CH3)(H)2	C[6a](C[6a]C[6a]C)2(CCH){3|C<3>}	128.6170	0.541	3	128.6170	0.293	3	123.5722	47.865	5	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHN)(H)	C(CC[6a]H)(NH3)(H)2	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]2)(CHHN)(H)	C(CC[6a]H)(NH3)(H)2	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	115.0870	0.000	1	115.0870	0.000	1	115.0870	0.000	1	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:B-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CBHH)(O)	C(CC[6a]O)(BHHN)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CBHH)(O)	C(CC[6a]O)(BHHN)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.5430	0.000	1	119.5430	0.000	1	119.5430	0.000	1	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:Br-1:Br-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CBr2C)(O)	C(CC[6a]O)(CC3)(Br)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CBr2C)(O)	C(CC[6a]O)(CC3)(Br)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	119.6320	0.000	1	119.6320	0.000	1	120.7450	2.478	2	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:Br-1:Br-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CBr2C)(O)	C(CC[6a]O)(CCHN)(Br)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CBr2C)(O)	C(CC[6a]O)(CCHN)(Br)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	121.8580	0.000	1	121.8580	0.000	1	120.7450	2.478	2	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:Br-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CBrCH)(O)	C(CC[6a]O)(CBrCH)(Br)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CBrCH)(O)	C(CC[6a]O)(CBrCH)(Br)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.2300	0.000	1	119.2300	0.000	1	119.8970	1.484	3	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:Br-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CBrCH)(O)	C(CC[6a]O)(CCHO)(Br)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CBrCH)(O)	C(CC[6a]O)(CCHO)(Br)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.1580	0.000	1	119.1580	0.000	1	119.8970	1.484	3	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:Br-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CBrCH)(O)	C(CC[6a]O)(CH3)(Br)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CBrCH)(O)	C(CC[6a]O)(CH3)(Br)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	121.3030	0.000	1	121.3030	0.000	1	119.8970	1.484	3	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:Cl-1:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCl2C)(O)	C(CC[6a]O)(CCHH)(Cl)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCl2C)(O)	C(CC[6a]O)(CCHH)(Cl)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	121.5930	0.000	1	121.5930	0.000	1	121.5930	0.000	1	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:Cl-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CClCH)(O)	C(CC[6a]O)(CCHN)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CClCH)(O)	C(CC[6a]O)(CCHN)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.7020	0.000	1	118.7020	0.000	1	118.7905	0.016	2	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:Cl-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CClCH)(O)	C(CC[6a]O)(CClCH)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CClCH)(O)	C(CC[6a]O)(CClCH)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.8790	0.000	1	118.8790	0.000	1	118.7905	0.016	2	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-3:	C(C[6a]C[5,6a]C[6a])(CCHH)(O)	C(CC[6a]O)(CCCH)(H)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(CCO)	C(C[6a]C[5,6a]C[6a])(CCHH)(O)	C(CC[6a]O)(CCCH)(H)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(CCO){1|C<3>,1|H<1>,2|C<4>}	120.3990	0.000	1	120.3990	0.000	1	120.3990	0.000	1	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-3:	C(C[6a]C[5a,6a]C[6a])(CCHH)(O)	C(CC[6a]O)(CCCH)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CCO)	C(C[6a]C[5a,6a]C[6a])(CCHH)(O)	C(CC[6a]O)(CCCH)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CCO){1|C<4>,1|H<1>,3|C<3>}	121.0120	0.000	1	121.0120	0.000	1	119.9605	2.211	2	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-3:	C(C[6a]C[5a,6a]C[6a])(CCHH)(O)	C(CC[6a]O)(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(CCO)	C(C[6a]C[5a,6a]C[6a])(CCHH)(O)	C(CC[6a]O)(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(CCO){1|H<1>,3|C<3>}	118.9090	0.000	1	118.9090	0.000	1	119.9605	2.211	2	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-3:	C(C[6a]C[6,6a]C[6a])(CCHH)(O)	C(CC[6a]O)(CCCH)(H)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]O)(CCO)	C(C[6a]C[6,6a]C[6a])(CCHH)(O)	C(CC[6a]O)(CCCH)(H)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]O)(CCO){1|C<4>,3|C<3>}	122.8860	0.000	1	122.8860	0.000	1	121.0063	7.692	3	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-3:	C(C[6a]C[6,6a]C[6a])(CCHH)(O)	C(CC[6a]O)(CCHH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CCO)	C(C[6a]C[6,6a]C[6a])(CCHH)(O)	C(CC[6a]O)(CCHH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CCO){1|H<1>,1|O<1>,3|C<3>}	117.8210	0.000	1	117.8210	0.000	1	121.0063	7.692	3	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-3:	C(C[6a]C[6,6a]C[6a])(CCHH)(O)	C(CC[6a]O)(CCHH)(H)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]O)(CCO)	C(C[6a]C[6,6a]C[6a])(CCHH)(O)	C(CC[6a]O)(CCHH)(H)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]O)(CCO){1|C<4>,3|C<3>}	122.3120	0.000	1	122.3120	0.000	1	121.0063	7.692	3	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(CCHH)(O)	C(CC[6a]O)(CCHH)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a,6a]C[6a])(CCHH)(O)	C(CC[6a]O)(CCHH)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCO){2|H<1>,3|C<3>}	117.1220	0.000	1	117.1220	0.000	1	116.3095	1.320	2	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(CCHH)(O)	C(CC[6a]O)(CH3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCO)	C(C[6a]C[6a,6a]C[6a])(CCHH)(O)	C(CC[6a]O)(CH3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCO){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	115.4970	0.000	1	115.4970	0.000	1	116.3095	1.320	2	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CC3)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CC3)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	117.4040	0.803	4	117.4040	0.644	4	118.8621	1.638	201	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCCH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCCH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	118.1370	0.330	3	118.1370	0.109	3	118.8621	1.638	201	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCO){1|C<3>,2|H<1>}	122.0920	0.000	1	122.0920	0.000	1	118.8621	1.638	201	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCCH)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCCH)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|Br<1>,1|C<3>,1|H<1>}	118.1875	0.078	2	118.8819	0.793	17	118.8621	1.638	201	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCCH)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCCH)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.9745	0.910	15	118.8819	0.793	17	118.8621	1.638	201	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCCH)(H)2	C[6a](C[6a]C[6a]O)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCCH)(H)2	C[6a](C[6a]C[6a]O)2(CCO){1|C<3>,1|C<4>,1|H<1>}	115.4380	1.280	2	117.5125	6.299	4	118.8621	1.638	201	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCCH)(H)2	C[6a](C[6a]C[6a]O)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCCH)(H)2	C[6a](C[6a]C[6a]O)2(CCO){1|H<1>,2|C<3>}	119.5870	0.214	2	117.5125	6.299	4	118.8621	1.638	201	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCCO)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCCO)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	120.2150	0.000	1	120.2150	0.000	1	118.8621	1.638	201	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCFH)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCFH)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.7640	0.000	1	118.7640	0.000	1	118.8621	1.638	201	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCHH)(H)2	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCHH)(H)2	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(CCO){1|C<3>,2|C<4>}	120.8870	0.000	1	120.8870	0.000	1	118.8621	1.638	201	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCHH)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCHH)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCO){1|C<3>,1|H<1>,1|O<2>}	118.6550	1.506	2	118.6550	2.268	2	118.8621	1.638	201	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCHH)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCHH)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCO){1|C<3>,1|H<1>,1|S<2>}	118.6405	0.814	2	118.6405	0.662	2	118.8621	1.638	201	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCHH)(H)2	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCHH)(H)2	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(CCO){1|H<1>,2|C<3>}	116.5060	0.000	1	116.5060	0.000	1	118.8621	1.638	201	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCHH)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCHH)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(CCO){4|C<3>}	116.6870	0.000	1	116.6870	0.000	1	118.8621	1.638	201	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCHH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCHH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CCO){1|H<1>,2|C<3>}	121.0250	0.000	1	121.0250	0.000	1	118.8621	1.638	201	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCHH)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCHH)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCO){1|O<2>,2|C<3>}	120.7883	1.690	3	120.7883	2.857	3	118.8621	1.638	201	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	118.2000	0.000	1	118.2000	0.000	1	118.8621	1.638	201	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	118.8050	1.786	3	118.2498	3.360	4	118.8621	1.638	201	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCO){1|H<1>,2|C<3>}	116.5840	0.000	1	118.2498	3.360	4	118.8621	1.638	201	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,2|H<1>}	119.1310	0.198	2	119.4914	0.175	5	118.8621	1.638	201	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|H<1>,2|C<3>}	119.3640	0.000	1	119.4914	0.175	5	118.8621	1.638	201	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|N<2>,2|H<1>}	119.9155	0.159	2	119.4914	0.175	5	118.8621	1.638	201	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,1|C<4>,1|H<1>}	119.9480	0.000	1	120.6367	0.750	4	118.8621	1.638	201	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,1|H<1>,1|O<2>}	121.8720	0.000	1	120.6367	0.750	4	118.8621	1.638	201	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	120.3635	0.317	2	120.6367	0.750	4	118.8621	1.638	201	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CCO){1|C<3>,1|H<1>}	118.6385	0.419	2	118.6385	0.176	2	118.8621	1.638	201	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|Br<1>,1|C<3>,1|H<1>}	118.9430	0.000	1	118.7623	0.644	86	118.8621	1.638	201	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|C<4>,1|H<1>}	118.6070	0.246	2	118.7623	0.644	86	118.8621	1.638	201	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|H<1>,1|O<2>}	118.7900	0.233	2	118.7623	0.644	86	118.8621	1.638	201	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|C<4>}	118.8483	0.797	15	118.7623	0.644	86	118.8621	1.638	201	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.7439	0.837	66	118.7623	0.644	86	118.8621	1.638	201	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCHH)(H)2	C[6a](C[6a]C[6a]O)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCHH)(H)2	C[6a](C[6a]C[6a]O)2(CCO){1|C<3>,2|H<1>}	121.3745	3.238	4	121.3745	10.483	4	118.8621	1.638	201	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCHH)(H)2	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCHH)(H)2	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]H)(CCO){1|C<3>,1|H<1>}	121.0640	0.000	1	121.0640	0.000	1	118.8621	1.638	201	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCHN)(H)2	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCHN)(H)2	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	119.7680	0.000	1	119.7680	0.000	1	118.8621	1.638	201	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCHN)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCHN)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	118.9160	0.000	1	118.9160	0.000	1	118.8621	1.638	201	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCHN)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCHN)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,2|H<1>}	117.7020	0.000	1	117.7020	0.000	1	118.8621	1.638	201	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCHN)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCHN)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.1500	1.150	4	119.1500	1.321	4	118.8621	1.638	201	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCHO)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCHO)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.8636	0.935	5	118.8636	0.875	5	118.8621	1.638	201	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCHP)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCHP)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.7390	0.000	1	118.7390	0.000	1	118.8621	1.638	201	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCHS)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCHS)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	120.1330	0.000	1	120.1330	0.000	1	118.8621	1.638	201	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCHS)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCHS)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.5230	0.000	1	118.5230	0.000	1	118.8621	1.638	201	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCOP)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CCOP)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	117.7080	0.000	1	117.7080	0.000	1	118.8621	1.638	201	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CF3)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CF3)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	117.3610	0.000	1	117.3610	0.000	1	118.8621	1.638	201	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CF3)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CF3)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	117.3855	0.135	2	117.3855	0.018	2	118.8621	1.638	201	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CFFH)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CFFH)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	117.7170	0.000	1	117.7170	0.000	1	118.8621	1.638	201	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CH3)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CH3)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CCO){3|C<3>}	118.4720	0.000	1	118.4720	0.000	1	118.8621	1.638	201	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CH3)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CH3)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	118.4880	0.000	1	118.4880	0.000	1	118.8621	1.638	201	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CH3)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CH3)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CCO){1|H<1>,2|C<3>}	117.8530	0.000	1	117.8530	0.000	1	118.8621	1.638	201	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CH3)(H)2	C[6a](C[6a]C[6a]C)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CH3)(H)2	C[6a](C[6a]C[6a]C)2(CCO){1|C<3>,2|C<4>}	116.4630	0.000	1	116.5597	0.340	3	118.8621	1.638	201	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CH3)(H)2	C[6a](C[6a]C[6a]C)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CH3)(H)2	C[6a](C[6a]C[6a]C)2(CCO){1|H<1>,2|C<3>}	116.6080	0.816	2	116.5597	0.340	3	118.8621	1.638	201	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,1|H<1>,1|O<2>}	119.5140	0.000	1	119.5140	0.000	1	118.8621	1.638	201	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCO){1|C<3>,2|H<1>}	118.7500	0.000	1	118.7500	0.000	1	118.8621	1.638	201	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|H<1>,1|O<2>}	120.4610	0.000	1	119.2433	0.661	4	118.8621	1.638	201	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.8373	0.060	3	119.2433	0.661	4	118.8621	1.638	201	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CH3)(H)2	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CH3)(H)2	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CCO){1|C<4>,2|C<3>}	123.9490	0.000	1	123.9490	0.000	1	118.8621	1.638	201	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CH3)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CH3)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCO){1|C<4>,2|C<3>,2|H<1>}	117.6190	0.000	1	117.6190	0.000	1	118.8621	1.638	201	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CH3)(H)2	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CH3)(H)2	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CCO){3|C<3>}	117.7650	0.000	1	117.7650	0.000	1	118.8621	1.638	201	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CHHN)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CHHN)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,2|H<1>}	119.7495	0.892	2	119.7495	0.795	2	118.8621	1.638	201	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CHHN)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CHHN)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.0040	0.585	12	119.0040	0.343	12	118.8621	1.638	201	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CHHS)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CHHS)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.2010	0.563	2	118.2010	0.317	2	118.8621	1.638	201	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CHPP)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]O)(CHPP)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.2120	0.000	1	119.2120	0.000	1	118.8621	1.638	201	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHN)(O)	C(CC[6a]O)(NH3)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CHHN)(O)	C(CC[6a]O)(NH3)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	117.1560	0.000	1	117.1560	0.000	1	117.1560	0.000	1	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:S-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHS)(O)	C(CC[6a]O)(SCOO)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CHHS)(O)	C(CC[6a]O)(SCOO)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.3830	0.000	1	119.3830	0.000	1	119.3830	0.000	1	119.0116	3.185	226	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:2:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:C-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]O)(CCHH)(CN)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]O)(CCHH)(CN)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	119.2190	0.000	1	119.2190	0.000	1	119.2190	0.000	1	119.4037	1.380	24	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:2:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHN)(O)	C(CC[6a]O)(CCCH)(NN)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHN)(O)	C(CC[6a]O)(CCCH)(NN)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	117.9040	0.000	1	117.9040	0.000	1	118.3320	0.366	2	119.4037	1.380	24	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:2:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHN)(O)	C(CC[6a]O)(CCHH)(NS)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHN)(O)	C(CC[6a]O)(CCHH)(NS)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.7600	0.000	1	118.7600	0.000	1	118.3320	0.366	2	119.4037	1.380	24	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:2:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHO)(O)	C(CC[6a]O)(CCCH)(OSi)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHO)(O)	C(CC[6a]O)(CCCH)(OSi)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	121.2530	0.211	2	121.2530	0.044	2	119.4073	1.502	17	119.4037	1.380	24	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:2:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHO)(O)	C(CC[6a]O)(CCHH)(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	C(C[6a]C[6a]2)(CCHO)(O)	C(CC[6a]O)(CCHH)(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,2|H<1>}	119.0330	0.000	2	119.0330	0.000	2	119.4073	1.502	17	119.4037	1.380	24	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:2:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHO)(O)	C(CC[6a]O)(CCHH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHO)(O)	C(CC[6a]O)(CCHH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.9295	1.149	6	118.9295	1.320	6	119.4073	1.502	17	119.4037	1.380	24	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:2:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHO)(O)	C(CC[6a]O)(CCHN)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHO)(O)	C(CC[6a]O)(CCHN)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	120.1930	0.000	1	120.1930	0.000	1	119.4073	1.502	17	119.4037	1.380	24	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:2:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHO)(O)	C(CC[6a]O)(CCHO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHO)(O)	C(CC[6a]O)(CCHO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	121.7290	0.000	1	121.7290	0.000	1	119.4073	1.502	17	119.4037	1.380	24	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:2:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHO)(O)	C(CC[6a]O)(CH3)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHO)(O)	C(CC[6a]O)(CH3)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.6587	0.460	4	118.6587	0.212	4	119.4073	1.502	17	119.4037	1.380	24	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:2:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHO)(O)	C(CC[6a]O)(CHHN)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHO)(O)	C(CC[6a]O)(CHHN)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.2180	0.000	1	119.2180	0.000	1	119.4073	1.502	17	119.4037	1.380	24	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:2:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:S-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHS)(O)	C(CC[6a]O)(CCHH)(SC)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHS)(O)	C(CC[6a]O)(CCHH)(SC)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.1880	0.000	1	119.1880	0.000	1	119.0175	0.058	2	119.4037	1.380	24	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:2:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:S-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHS)(O)	C(CC[6a]O)(CH3)(SC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(C[6a]C[6a]2)(CCHS)(O)	C(CC[6a]O)(CH3)(SC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|Br<1>,1|C<3>,1|H<1>}	118.8470	0.000	1	118.8470	0.000	1	119.0175	0.058	2	119.4037	1.380	24	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:2:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:Se-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CSeCH)(O)	C(CC[6a]O)(CH3)(SeC)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CSeCH)(O)	C(CC[6a]O)(CH3)(SeC)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	120.9235	0.179	2	120.9235	0.032	2	120.9235	0.032	2	119.4037	1.380	24	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:2:2:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:C-2:O-2:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCCO)(O)	C(CC[6a]O)(CCHH)(CN)(OC)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCCO)(O)	C(CC[6a]O)(CCHH)(CN)(OC)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	122.5660	0.000	1	122.5660	0.000	1	122.5660	0.000	1	121.3075	3.168	2	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:2:2:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:N-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCNN)(O)	C(CC[6a]O)(CHHO)(NN)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCNN)(O)	C(CC[6a]O)(CHHO)(NN)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	120.0490	0.000	1	120.0490	0.000	1	120.0490	0.000	1	121.3075	3.168	2	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:3:1:	3:3:3:	C[6a]-3:C-4:H-1:	C-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHN)(H)	C(CC[6a]H)(CCHH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]2)(CCHN)(H)	C(CC[6a]H)(CCHH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	114.4020	0.000	1	114.4020	0.000	1	114.4020	0.000	1	120.0322	2.656	53	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:3:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]O)(CCCH)(COO)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]O)(CCCH)(COO)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCO){1|C<3>,1|H<1>,1|O<2>}	121.4150	0.000	1	121.4150	0.000	1	119.8863	1.879	17	120.0322	2.656	53	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:3:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]O)(CCCH)(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]O)(CCCH)(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	122.2085	0.814	2	122.2085	0.662	2	119.8863	1.879	17	120.0322	2.656	53	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:3:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]O)(CCCH)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]O)(CCCH)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|H<1>,1|O<2>}	120.3980	0.000	1	119.5512	1.740	5	119.8863	1.879	17	120.0322	2.656	53	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:3:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]O)(CCCH)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]O)(CCCH)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.1700	0.283	2	119.5512	1.740	5	119.8863	1.879	17	120.0322	2.656	53	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:3:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]O)(CCCH)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]O)(CCCH)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|O<2>}	120.5090	0.716	2	119.5512	1.740	5	119.8863	1.879	17	120.0322	2.656	53	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:3:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]O)(CCHH)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]O)(CCHH)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	120.7090	0.000	1	120.7090	0.000	1	119.8863	1.879	17	120.0322	2.656	53	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:3:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]O)(CCHH)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCO)	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]O)(CCHH)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCO){1|C<3>,2|H<1>}	119.9430	0.000	1	119.9430	0.000	1	119.8863	1.879	17	120.0322	2.656	53	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:3:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]O)(CCHH)(CCO)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]O)(CCHH)(CCO)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.3000	0.000	1	119.3000	0.000	1	119.8863	1.879	17	120.0322	2.656	53	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:3:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]O)(CCHH)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]O)(CCHH)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.1065	0.401	2	118.1065	0.161	2	119.8863	1.879	17	120.0322	2.656	53	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:3:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]O)(CH3)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]O)(CH3)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.3467	0.324	3	119.3467	0.105	3	119.8863	1.879	17	120.0322	2.656	53	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:3:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]O)(CH3)(COO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]O)(CH3)(COO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCO){2|H<1>,3|C<3>}	120.2740	0.000	1	120.2740	0.000	1	119.8863	1.879	17	120.0322	2.656	53	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:3:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHN)(O)	C(CC[6a]O)(CCCH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHN)(O)	C(CC[6a]O)(CCCH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.5370	0.000	1	119.5370	0.000	1	119.5687	0.543	6	120.0322	2.656	53	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:3:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHN)(O)	C(CC[6a]O)(CCHH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHN)(O)	C(CC[6a]O)(CCHH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|Cl<1>,1|C<3>,1|H<1>}	118.3870	0.000	1	118.3870	0.000	1	119.5687	0.543	6	120.0322	2.656	53	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:3:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHN)(O)	C(CC[6a]O)(CCHH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHN)(O)	C(CC[6a]O)(CCHH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	120.3330	0.000	1	120.3330	0.000	1	119.5687	0.543	6	120.0322	2.656	53	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:3:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHN)(O)	C(CC[6a]O)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHN)(O)	C(CC[6a]O)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.7183	0.576	3	119.7183	0.332	3	119.5687	0.543	6	120.0322	2.656	53	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:3:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6a]-3:B-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]BH)(O)	C(C[6a]C[6a]2)(BN[5]HH)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]BH)(O)	C(C[6a]C[6a]2)(BN[5]HH)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.3270	0.000	1	119.3270	0.000	1	119.3270	0.000	1	120.0322	2.656	53	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:3:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6a]-3:C-4:C-3:F-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]CF)(O)	C(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)(F)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]CF)(O)	C(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)(F)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	121.1175	0.350	2	121.1175	0.123	2	121.1175	0.123	2	120.0322	2.656	53	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:3:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]CH)(O)	C(C[6a]C[6a]2)(CC[3]HN)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]CH)(O)	C(C[6a]C[6a]2)(CC[3]HN)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.8135	0.267	2	119.8135	0.071	2	120.1991	2.612	15	120.0322	2.656	53	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:3:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]CH)(O)	C(C[6a]C[6a]2)(CC[5a]HH)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]CH)(O)	C(C[6a]C[6a]2)(CC[5a]HH)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.6170	0.000	1	119.6170	0.000	1	120.1991	2.612	15	120.0322	2.656	53	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:3:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]CH)(O)	C(C[6a]C[6a]2)(CC[6]HH)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]CH)(O)	C(C[6a]C[6a]2)(CC[6]HH)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.6420	0.000	1	119.6420	0.000	1	120.1991	2.612	15	120.0322	2.656	53	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:3:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]CH)(O)	C(C[6a]C[6a]2)(CC[6a]2H)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CC[6a]CH)(O)	C(C[6a]C[6a]2)(CC[6a]2H)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO){1|C<3>,1|H<1>,1|O<2>}	123.5790	0.201	2	123.5790	0.040	2	120.1991	2.612	15	120.0322	2.656	53	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:3:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]CH)(O)	C(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]CH)(O)	C(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.7917	1.275	3	119.7917	1.626	3	120.1991	2.612	15	120.0322	2.656	53	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:3:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]CH)(O)	C(C[6a]C[6a]2)(CC[6a]CO)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]CH)(O)	C(C[6a]C[6a]2)(CC[6a]CO)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	120.3237	1.101	3	120.3237	1.212	3	120.1991	2.612	15	120.0322	2.656	53	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:3:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]CH)(O)	C(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]CH)(O)	C(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.7260	0.000	1	119.7260	0.000	1	120.1991	2.612	15	120.0322	2.656	53	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:3:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]CH)(O)	C(C[6a]C[6a]2)(CC[6a]HN)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]CH)(O)	C(C[6a]C[6a]2)(CC[6a]HN)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.4350	0.024	2	118.4350	0.001	2	120.1991	2.612	15	120.0322	2.656	53	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:3:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6a]-3:P-4:C-3:F-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]FP)(O)	C(C[6a]C[6a]2)(PC[6a]2O)(CC[6a]O)(F)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]FP)(O)	C(C[6a]C[6a]2)(PC[6a]2O)(CC[6a]O)(F)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	121.4321	1.454	7	121.4321	2.114	7	121.4321	2.114	7	120.0322	2.656	53	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:3:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6a]-3:S-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]HS)(O)	C(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]HS)(O)	C(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	117.8360	0.000	1	117.8360	0.000	1	117.8360	0.000	1	120.0322	2.656	53	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:3:1:	3:3:3:	C[6a]-3:C-4:O-1:	N[5]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CN[5]CH)(O)	C(N[5]C[5,6a]C[5])(CC[6a]C[5]H)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CN[5]CH)(O)	C(N[5]C[5,6a]C[5])(CC[6a]C[5]H)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.2440	0.000	1	119.2440	0.000	1	119.2440	0.000	1	120.0322	2.656	53	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:3:1:	3:3:3:	C[6a]-3:C-4:O-1:	N[5a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CN[5a]CH)(O)	C(N[5a]C[5a]N[5a])(CN[5a]HH)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CN[5a]CH)(O)	C(N[5a]C[5a]N[5a])(CN[5a]HH)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	120.0865	0.419	2	120.0865	0.176	2	120.0865	0.176	2	120.0322	2.656	53	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:3:2:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCCO)(O)	C(CC[6a]O)(CH3)(COS)(ON)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCCO)(O)	C(CC[6a]O)(CH3)(COS)(ON)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.8740	0.000	1	119.8740	0.000	1	119.8740	0.000	1	119.3505	0.219	4	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:3:2:	3:3:3:	C[6a]-3:C-4:O-1:	C[6a]-3:S-4:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]NS)(O)	C(C[6a]C[6a]2)(SC[6]OO)(CC[6a]O)(NN)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]NS)(O)	C(C[6a]C[6a]2)(SC[6]OO)(CC[6a]O)(NN)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.0890	0.000	1	119.0890	0.000	1	119.1760	0.145	3	119.3505	0.219	4	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:3:2:	3:3:3:	C[6a]-3:C-4:O-1:	C[6a]-3:S-4:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]NS)(O)	C(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]O)(NN)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]NS)(O)	C(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]O)(NN)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.2195	0.528	2	119.2195	0.279	2	119.1760	0.145	3	119.3505	0.219	4	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:3:3:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC3)(O)	C(CC[6a]O)(CH3)(CCO)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC3)(O)	C(CC[6a]O)(CH3)(CCO)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	120.9830	0.000	1	120.9830	0.000	1	120.9830	0.000	1	121.0875	0.022	2	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:3:3:	3:3:3:	C[6a]-3:C-4:O-1:	C[6a]-3:C-4:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]CC)(O)	C(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)(CCH)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]CC)(O)	C(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)(CCH)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	121.1920	0.000	1	121.1920	0.000	1	121.1920	0.000	1	121.0875	0.022	2	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:3:4:	3:3:3:	C[6a]-3:C-4:O-1:	C[5a]-3:C-4:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5a]CC)(O)	C(C[5a]C[5a]O[5a])(CB[5]HH)(CC[6a]O)(CH3)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[5a]CC)(O)	C(C[5a]C[5a]O[5a])(CB[5]HH)(CC[6a]O)(CH3)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	121.4540	0.000	1	121.4540	0.000	1	121.4540	0.000	1	121.4540	0.000	1	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:C-4:Br-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CBrCC)(O)	C(CC[6a]O)(CH3)2(Br)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CBrCC)(O)	C(CC[6a]O)(CH3)2(Br)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	122.6280	0.000	1	122.6280	0.000	1	122.6280	0.000	1	120.4990	4.404	64	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C-3:	C(C[6a]C[5,6a]C[6a])(CCCH)(O)	C(CC[6a]O)(CCHH)(CH3)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(CCO)	C(C[6a]C[5,6a]C[6a])(CCCH)(O)	C(CC[6a]O)(CCHH)(CH3)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(CCO){1|C<3>,1|H<1>,2|C<4>}	121.6310	0.118	3	121.6310	0.014	3	121.9670	0.150	6	120.4990	4.404	64	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C-3:	C(C[6a]C[5,6a]C[6a])(CCCH)(O)	C(CC[6a]O)(CH3)2(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(CCO)	C(C[6a]C[5,6a]C[6a])(CCCH)(O)	C(CC[6a]O)(CH3)2(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(CCO){1|C<3>,1|H<1>,2|C<4>}	122.3030	0.149	3	122.3030	0.022	3	121.9670	0.150	6	120.4990	4.404	64	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:C-4:H-1:	C[6,6a]-3:C[6,6a]-3:C-3:	C(C[6a]C[6,6a]2)(CCCH)(O)	C(CC[6a]O)(CH3)2(H)	C[6a](C[6,6a]C[6,6a]O[6])2(CCO)	C(C[6a]C[6,6a]2)(CCCH)(O)	C(CC[6a]O)(CH3)2(H)	C[6a](C[6,6a]C[6,6a]O[6])2(CCO){2|C<3>,3|C<4>}	119.4890	0.000	1	119.4890	0.000	1	119.4890	0.000	1	120.4990	4.404	64	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C-3:	C(C[6a]C[6,6a]C[6a])(CCCH)(O)	C(CC[6a]O)(CH3)2(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[5,6a]O)(CCO)	C(C[6a]C[6,6a]C[6a])(CCCH)(O)	C(CC[6a]O)(CH3)2(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[5,6a]O)(CCO){2|C<3>,2|C<4>}	123.5320	0.000	1	123.5320	0.000	1	124.1520	0.769	2	120.4990	4.404	64	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C-3:	C(C[6a]C[6,6a]C[6a])(CCCH)(O)	C(CC[6a]O)(CH3)2(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CCO)	C(C[6a]C[6,6a]C[6a])(CCCH)(O)	C(CC[6a]O)(CH3)2(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CCO){1|C<3>,3|C<4>}	124.7720	0.000	1	124.7720	0.000	1	124.1520	0.769	2	120.4990	4.404	64	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(CCCH)(O)	C(CC[6a]O)(CCHH)(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a,6a]C[6a])(CCCH)(O)	C(CC[6a]O)(CCHH)(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO){1|H<1>,1|O<2>,3|C<3>}	117.8370	0.000	1	117.8370	0.000	1	120.8550	14.311	4	120.4990	4.404	64	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(CCCH)(O)	C(CC[6a]O)(CCHH)(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CCO)	C(C[6a]C[6a,6a]C[6a])(CCCH)(O)	C(CC[6a]O)(CCHH)(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CCO){1|C<4>,3|C<3>}	124.1210	0.376	2	124.1210	0.142	2	120.8550	14.311	4	120.4990	4.404	64	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(CCCH)(O)	C(CC[6a]O)(CH3)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a,6a]C[6a])(CCCH)(O)	C(CC[6a]O)(CH3)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO){1|H<1>,1|N<3>,3|C<3>}	117.3410	0.000	1	117.3410	0.000	1	120.8550	14.311	4	120.4990	4.404	64	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]O)(CCCH)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]O)(CCCH)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	120.9237	0.627	3	120.9237	0.393	3	121.0902	3.036	30	120.4990	4.404	64	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]O)(CCCH)(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]O)(CCCH)(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	121.3840	0.000	1	121.3840	0.000	1	121.0902	3.036	30	120.4990	4.404	64	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]O)(CCCH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]O)(CCCH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|H<1>,1|O<2>}	120.1478	1.515	4	120.3071	1.586	7	121.0902	3.036	30	120.4990	4.404	64	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]O)(CCCH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]O)(CCCH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.9010	0.307	2	120.3071	1.586	7	121.0902	3.036	30	120.4990	4.404	64	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]O)(CCCH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]O)(CCCH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|O<2>}	121.7570	0.000	1	120.3071	1.586	7	121.0902	3.036	30	120.4990	4.404	64	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]O)(CCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]O)(CCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	120.3150	0.285	3	120.3150	0.081	3	121.0902	3.036	30	120.4990	4.404	64	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]O)(CCHH)(CH3)(H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CCO)	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]O)(CCHH)(CH3)(H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CCO){1|C<3>,2|H<1>}	123.1290	0.507	4	123.1290	0.257	4	121.0902	3.036	30	120.4990	4.404	64	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]O)(CCHH)(CHHS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]O)(CCHH)(CHHS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	121.6980	0.000	1	121.6980	0.000	1	121.0902	3.036	30	120.4990	4.404	64	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]O)(CCHN)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]O)(CCHN)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.9510	0.000	1	118.9510	0.000	1	121.0902	3.036	30	120.4990	4.404	64	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]O)(CCHO)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]O)(CCHO)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.9820	0.000	1	119.9820	0.000	1	121.0902	3.036	30	120.4990	4.404	64	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]O)(CH3)2(H)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]O)(CCO)	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]O)(CH3)2(H)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]O)(CCO){1|H<1>,2|C<3>}	118.5785	0.346	2	118.5785	0.120	2	121.0902	3.036	30	120.4990	4.404	64	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]O)(CH3)2(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CCO)	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]O)(CH3)2(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CCO){1|C<3>,2|C<4>}	124.4070	0.076	2	124.4070	0.006	2	121.0902	3.036	30	120.4990	4.404	64	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]O)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCO)	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]O)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCO){1|B<3>,1|C<4>,1|H<1>}	118.5320	0.000	1	118.5320	0.000	1	121.0902	3.036	30	120.4990	4.404	64	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]O)(CH3)2(H)	C[6a](C[6a]C[6a]O)2(CCO)	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]O)(CH3)2(H)	C[6a](C[6a]C[6a]O)2(CCO){1|C<3>,1|C<4>,1|H<1>}	122.7700	0.655	2	122.7700	0.429	2	121.0902	3.036	30	120.4990	4.404	64	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]O)(CHHN)(CC3)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]O)(CHHN)(CC3)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCO){1|C<3>,1|H<1>,1|O<2>}	120.6980	0.000	1	120.6980	0.000	1	121.0902	3.036	30	120.4990	4.404	64	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]O)(CHHO)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]O)(CHHO)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,1|H<1>,1|O<2>}	121.5690	0.000	1	121.5690	0.000	1	121.0902	3.036	30	120.4990	4.404	64	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:N-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHN)(O)	C(CC[6a]O)(CHHO)(NCHH)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHN)(O)	C(CC[6a]O)(CHHO)(NCHH)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.2400	0.000	1	118.2400	0.000	1	118.2400	0.000	1	120.4990	4.404	64	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:N-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHN)(O)	C(CC[6a]O)(NCHH)(CH3)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CCHN)(O)	C(CC[6a]O)(NCHH)(CH3)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCO){1|C<3>,1|H<1>,1|O<2>}	117.6460	0.853	2	117.6460	0.727	2	118.7024	1.241	19	120.4990	4.404	64	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:N-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHN)(O)	C(CC[6a]O)(NCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHN)(O)	C(CC[6a]O)(NCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.5971	0.444	14	118.8110	1.270	16	118.7024	1.241	19	120.4990	4.404	64	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:N-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHN)(O)	C(CC[6a]O)(NCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHN)(O)	C(CC[6a]O)(NCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|Cl<1>,1|C<3>,1|H<1>}	120.3080	3.371	2	118.8110	1.270	16	118.7024	1.241	19	120.4990	4.404	64	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:N-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHN)(O)	C(CC[6a]O)(NHHO)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHN)(O)	C(CC[6a]O)(NHHO)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.0780	0.000	1	119.0780	0.000	1	118.7024	1.241	19	120.4990	4.404	64	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:4:2:	2:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:C-4:C-2:	N[6a]-2:C[6a]-3:C-3:	C(C[6a]C[6a]N[6a])(CC3)(O)	C(CC[6a]O)(CH3)2(CC)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]N[6a])(CC3)(O)	C(CC[6a]O)(CH3)2(CC)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	120.3430	0.000	1	120.3430	0.000	1	120.3430	0.000	1	120.3430	0.000	1	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:4:2:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCCO)(O)	C(CC[6a]O)(CCCH)(CH3)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CCCO)(O)	C(CC[6a]O)(CCCH)(CH3)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCO){2|O<2>,3|C<3>}	117.6860	0.000	1	117.6860	0.000	1	117.6860	0.000	1	117.6860	0.000	1	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:4:3:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC3)(O)	C(CC[6a]O)(CH3)2(COO)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC3)(O)	C(CC[6a]O)(CH3)2(COO)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	120.8748	0.199	5	120.8748	0.040	5	120.8748	0.040	5	120.8888	0.033	6	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:4:3:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:C-4:N-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCCN)(O)	C(CC[6a]O)(CH3)2(NHO)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCCN)(O)	C(CC[6a]O)(CH3)2(NHO)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	120.9590	0.000	1	120.9590	0.000	1	120.9590	0.000	1	120.8888	0.033	6	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:4:4:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:C-4:C-4:	C[5a,6a]-3:C[6a]-3:C-3:	C(C[6a]C[5a,6a]C[6a])(CC3)(O)	C(CC[6a]O)(CH3)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCO)	C(C[6a]C[5a,6a]C[6a])(CC3)(O)	C(CC[6a]O)(CH3)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCO){1|H<1>,1|S<2>,2|C<3>}	120.0825	1.299	2	120.0825	1.687	2	120.0825	1.687	2	121.5786	3.791	12	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:4:4:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:C-4:C-4:	C[6a,6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(CC3)(O)	C(CC[6a]O)(CH3)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a,6a]C[6a])(CC3)(O)	C(CC[6a]O)(CH3)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO){1|H<1>,1|N<3>,3|C<3>}	118.6495	1.476	2	120.8550	7.309	4	120.8550	7.309	4	121.5786	3.791	12	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:4:4:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:C-4:C-4:	C[6a,6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(CC3)(O)	C(CC[6a]O)(CH3)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a,6a]C[6a])(CC3)(O)	C(CC[6a]O)(CH3)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO){1|H<1>,1|N<4>,3|C<3>}	123.0605	0.541	2	120.8550	7.309	4	120.8550	7.309	4	121.5786	3.791	12	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:4:4:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC3)(O)	C(CC[6a]O)(CCHH)3	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC3)(O)	C(CC[6a]O)(CCHH)3	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	122.5900	1.252	3	122.5900	1.567	3	122.5597	1.149	6	121.5786	3.791	12	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:4:4:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC3)(O)	C(CC[6a]O)(CH3)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CC3)(O)	C(CC[6a]O)(CH3)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	121.5090	0.000	1	121.5090	0.000	1	122.5597	1.149	6	121.5786	3.791	12	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:4:4:	3:3:3:	C[6a]-3:C-4:O-1:	C-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC3)(O)	C(CC[6a]O)(CH3)3	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CCO)	C(C[6a]C[6a]2)(CC3)(O)	C(CC[6a]O)(CH3)3	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CCO){1|H<1>,2|C<3>}	123.0395	1.022	2	123.0395	1.044	2	122.5597	1.149	6	121.5786	3.791	12	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	3:4:4:4:	4:3:3:	C[6a]-3:C-4:H-1:	C-3:C-4:C-4:C-4:	B[6,6,6a]-4:C[6a,6a]-3:C-3:	C(C[6a]B[6,6,6a]C[6a,6a])(CC3)(H)	C(CC[6a]H)(CH3)3	C[6a](B[6,6,6a]N[6a,6a]C[6,6]2)(C[6a,6a]C[6a,6a]C[6a])(CCH)	C(C[6a]B[6,6,6a]C[6a,6a])(CC3)(H)	C(CC[6a]H)(CH3)3	C[6a](B[6,6,6a]N[6a,6a]C[6,6]2)(C[6a,6a]C[6a,6a]C[6a])(CCH){3|H<1>,4|C<3>,4|C<4>}	135.1410	0.000	1	135.1410	0.000	1	135.1410	0.000	1	135.1410	0.000	1	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:2:3:	C[6a]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-3:	C(C[6a]C[6a]N[6a])(CCHH)(O)	C(CC[5a]CC)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO)	C(C[6a]C[6a]N[6a])(CCHH)(O)	C(CC[5a]CC)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO){1|C<3>,2|H<1>}	115.0600	0.000	1	115.0600	0.000	1	118.2298	1.552	20	118.2298	1.552	20	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:2:3:	C[6a]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-3:	C(C[6a]C[6a]N[6a])(CCHH)(O)	C(CC[5a]C[5]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO)	C(C[6a]C[6a]N[6a])(CCHH)(O)	C(CC[5a]C[5]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO){1|C<3>,2|H<1>}	118.5960	0.000	1	118.5960	0.000	1	118.2298	1.552	20	118.2298	1.552	20	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:2:3:	C[6a]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-3:	C(C[6a]C[6a]N[6a])(CCHH)(O)	C(CC[5a]C[6a]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO)	C(C[6a]C[6a]N[6a])(CCHH)(O)	C(CC[5a]C[6a]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO){1|C<3>,2|H<1>}	116.6650	0.000	1	116.6650	0.000	1	118.2298	1.552	20	118.2298	1.552	20	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:2:3:	C[6a]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-3:	C(C[6a]C[6a]N[6a])(CCHH)(O)	C(CC[6a]CC)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO)	C(C[6a]C[6a]N[6a])(CCHH)(O)	C(CC[6a]CC)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO){1|C<3>,2|H<1>}	116.9400	0.000	1	116.9400	0.000	1	118.2298	1.552	20	118.2298	1.552	20	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:2:3:	C[6a]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-3:	C(C[6a]C[6a]N[6a])(CCHH)(O)	C(CC[6a]CC)(CC[6a]O)(H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCO)	C(C[6a]C[6a]N[6a])(CCHH)(O)	C(CC[6a]CC)(CC[6a]O)(H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCO){1|C<3>,1|H<1>}	115.4340	0.000	1	115.4340	0.000	1	118.2298	1.552	20	118.2298	1.552	20	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:2:3:	C[6a]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-3:	C(C[6a]C[6a]N[6a])(CCHH)(O)	C(CC[6a]CH)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO)	C(C[6a]C[6a]N[6a])(CCHH)(O)	C(CC[6a]CH)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO){1|C<3>,2|H<1>}	118.7241	0.360	12	118.7241	0.129	12	118.2298	1.552	20	118.2298	1.552	20	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:2:3:	C[6a]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-3:	C(C[6a]C[6a]N[6a])(CCHH)(O)	C(CC[6a]C[6]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO)	C(C[6a]C[6a]N[6a])(CCHH)(O)	C(CC[6a]C[6]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO){1|C<3>,2|H<1>}	118.8810	0.827	2	118.8810	0.684	2	118.2298	1.552	20	118.2298	1.552	20	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:2:3:	C[6a]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-3:	C(C[6a]C[6a]N[6a])(CCHH)(O)	C(CC[6a]HN)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO)	C(C[6a]C[6a]N[6a])(CCHH)(O)	C(CC[6a]HN)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO){1|C<3>,2|H<1>}	119.4500	0.000	1	119.4500	0.000	1	118.2298	1.552	20	118.2298	1.552	20	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]HH)(CC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]HH)(CC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	114.2170	0.000	1	114.2170	0.000	1	114.2170	0.000	1	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	B-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CBHH)(O)	C(BC[5]HH)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CBHH)(O)	C(BC[5]HH)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|Cl<1>,1|C<3>,1|H<1>}	119.1750	0.000	1	119.1750	0.000	1	119.1750	0.000	1	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:Br-1:Br-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CBr2C)(O)	C(CC[6a]HO)(CC[6a]O)(Br)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CBr2C)(O)	C(CC[6a]HO)(CC[6a]O)(Br)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	124.4420	0.000	1	124.4420	0.000	1	122.1110	10.867	2	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:Br-1:Br-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CBr2C)(O)	C(CN[5a]HH)(CC[6a]O)(Br)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CBr2C)(O)	C(CN[5a]HH)(CC[6a]O)(Br)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	119.7800	0.000	1	119.7800	0.000	1	122.1110	10.867	2	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:Br-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CBrCH)(O)	C(CC[5a]BrH)(CC[6a]O)(Br)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CBrCH)(O)	C(CC[5a]BrH)(CC[6a]O)(Br)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.8580	0.000	1	118.8580	0.000	1	118.6514	1.495	26	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:Br-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CBrCH)(O)	C(CC[6a]BrH)(CC[6a]O)(Br)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CBrCH)(O)	C(CC[6a]BrH)(CC[6a]O)(Br)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO){1|C<3>,1|F<1>,1|H<1>}	116.4125	1.023	2	117.7054	2.846	7	118.6514	1.495	26	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:Br-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CBrCH)(O)	C(CC[6a]BrH)(CC[6a]O)(Br)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CBrCH)(O)	C(CC[6a]BrH)(CC[6a]O)(Br)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	118.2226	1.684	5	117.7054	2.846	7	118.6514	1.495	26	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:Br-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CBrCH)(O)	C(CC[6a]BrH)(CC[6a]O)(Br)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(C[6a]C[6a]2)(CBrCH)(O)	C(CC[6a]BrH)(CC[6a]O)(Br)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	119.3750	0.000	1	119.3750	0.000	1	118.6514	1.495	26	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:Br-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CBrCH)(O)	C(CC[6a]BrH)(CC[6a]O)(Br)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CBrCH)(O)	C(CC[6a]BrH)(CC[6a]O)(Br)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.2536	0.653	7	119.2536	0.426	7	118.6514	1.495	26	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:Br-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CBrCH)(O)	C(CC[6a]HN)(CC[6a]O)(Br)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CBrCH)(O)	C(CC[6a]HN)(CC[6a]O)(Br)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.4740	0.000	1	118.4740	0.000	1	118.6514	1.495	26	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:Br-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CBrCH)(O)	C(CC[6a]HO)(CC[6a]O)(Br)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CBrCH)(O)	C(CC[6a]HO)(CC[6a]O)(Br)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.8820	1.100	7	118.8820	1.211	7	118.6514	1.495	26	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:Br-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CBrCH)(O)	C(CC[6a]N[5]H)(CC[6a]O)(Br)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CBrCH)(O)	C(CC[6a]N[5]H)(CC[6a]O)(Br)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.2630	0.000	1	119.2630	0.000	1	118.6514	1.495	26	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:Br-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CBrCH)(O)	C(CN[5a]HH)(CC[6a]O)(Br)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CBrCH)(O)	C(CN[5a]HH)(CC[6a]O)(Br)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	118.0800	0.000	1	118.0800	0.000	1	118.6514	1.495	26	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:Cl-1:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCl2C)(O)	C(CC[6a]HN)(CC[6a]O)(Cl)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCl2C)(O)	C(CC[6a]HN)(CC[6a]O)(Cl)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	122.4750	0.000	1	122.4750	0.000	1	122.0420	0.254	4	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:Cl-1:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCl2C)(O)	C(CC[6a]HO)(CC[6a]O)(Cl)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCl2C)(O)	C(CC[6a]HO)(CC[6a]O)(Cl)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	121.8977	0.507	3	121.8977	0.257	3	122.0420	0.254	4	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:Cl-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CClCH)(O)	C(CC[6a]HN)(CC[6a]O)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CClCH)(O)	C(CC[6a]HN)(CC[6a]O)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	120.2180	0.000	1	120.2180	0.000	1	119.2755	1.777	2	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:Cl-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CClCH)(O)	C(CC[6a]HS)(CC[6a]O)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CClCH)(O)	C(CC[6a]HS)(CC[6a]O)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.3330	0.000	1	118.3330	0.000	1	119.2755	1.777	2	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:F-1:F-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCFF)(O)	C(CC[6a]CH)(CC[6a]O)(F)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCFF)(O)	C(CC[6a]CH)(CC[6a]O)(F)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	120.8310	0.000	1	120.8310	0.000	1	121.7428	4.874	4	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:F-1:F-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCFF)(O)	C(CC[6a]HN)(CC[6a]O)(F)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CCFF)(O)	C(CC[6a]HN)(CC[6a]O)(F)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	121.3270	0.000	1	121.3270	0.000	1	121.7428	4.874	4	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:F-1:F-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCFF)(O)	C(CC[6a]HN)(CC[6a]O)(F)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCFF)(O)	C(CC[6a]HN)(CC[6a]O)(F)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	122.4065	3.569	2	122.4065	12.736	2	121.7428	4.874	4	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:F-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCFH)(O)	C(CC[6a]2O)(CC[6a]O)(F)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCFH)(O)	C(CC[6a]2O)(CC[6a]O)(F)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.2020	0.000	1	119.2020	0.000	1	119.2020	0.000	1	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(CCHH)(O)	C(CC[5]HH)(CC[6a]O)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a,6a]C[6a])(CCHH)(O)	C(CC[5]HH)(CC[6a]O)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO){2|H<1>,3|C<3>}	118.2320	0.000	1	118.2320	0.000	1	117.1445	2.365	2	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(CCHH)(O)	C(CC[6]HH)(CC[6a]O)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a,6a]C[6a])(CCHH)(O)	C(CC[6]HH)(CC[6a]O)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO){2|H<1>,3|C<3>}	116.0570	0.000	1	116.0570	0.000	1	117.1445	2.365	2	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[5,5]HH)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[5,5]HH)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.2260	0.000	1	119.2260	0.000	1	118.9413	1.326	297	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[5,6]HH)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[5,6]HH)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.0265	0.394	2	119.0265	0.155	2	118.9413	1.326	297	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[5]CH)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[5]CH)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.0138	1.029	12	118.0138	1.059	12	118.9413	1.326	297	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[5]HH)(CC[6a]O)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[5]HH)(CC[6a]O)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	118.4025	0.261	2	118.4025	0.068	2	118.9413	1.326	297	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[5]HH)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[5]HH)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|C<4>,1|H<1>}	117.3925	0.439	2	117.9958	0.561	4	118.9413	1.326	297	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[5]HH)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[5]HH)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.5990	0.184	2	117.9958	0.561	4	118.9413	1.326	297	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[5]HO)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[5]HO)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.9415	0.442	2	118.9415	0.195	2	118.9413	1.326	297	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[5]HP)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[5]HP)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.4260	0.000	1	118.4260	0.000	1	118.9413	1.326	297	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[5]HS)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[5]HS)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	117.8110	0.201	2	117.8110	0.040	2	118.9413	1.326	297	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[5a]CH)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[5a]CH)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.8017	0.986	8	118.8017	0.972	8	118.9413	1.326	297	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[5a]C[6a]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[5a]C[6a]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|Br<1>,1|C<3>,1|H<1>}	117.0590	0.000	1	117.8255	1.175	2	118.9413	1.326	297	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[5a]C[6a]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[5a]C[6a]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.5920	0.000	1	117.8255	1.175	2	118.9413	1.326	297	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[5a]N[5]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[5a]N[5]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.8560	0.000	1	118.8560	0.000	1	118.9413	1.326	297	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6]2H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6]2H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.5500	0.000	1	118.5500	0.000	1	118.9413	1.326	297	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6]HH)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6]HH)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|C<4>,1|H<1>}	118.8185	0.045	2	119.4974	1.049	18	118.9413	1.326	297	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6]HH)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6]HH)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|C<4>}	119.7262	1.130	12	119.4974	1.049	18	118.9413	1.326	297	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6]HH)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6]HH)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.1508	0.765	4	119.4974	1.049	18	118.9413	1.326	297	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6]HO)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6]HO)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.1750	0.000	1	118.1750	0.000	1	118.9413	1.326	297	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6]HP)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6]HP)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.2965	0.305	2	118.2965	0.093	2	118.9413	1.326	297	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]2H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]2H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.7910	0.647	5	118.7910	0.419	5	118.9413	1.326	297	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]CC)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]CC)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.7267	0.213	3	118.7267	0.045	3	118.9413	1.326	297	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]CH)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]CH)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	120.5793	0.915	3	120.5793	0.837	3	118.9413	1.326	297	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]CH)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]CH)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.8627	0.890	62	118.8627	0.793	62	118.9413	1.326	297	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]CO)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]CO)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	120.3880	0.000	1	120.3880	0.000	1	118.9413	1.326	297	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]CP)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]CP)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	117.3180	0.000	1	117.3180	0.000	1	118.9413	1.326	297	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]C[5]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]C[5]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.6506	0.752	13	118.6506	0.566	13	118.9413	1.326	297	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]C[6]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]C[6]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	119.7740	0.000	1	119.7740	0.000	1	118.9413	1.326	297	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]C[6]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]C[6]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(CCO){2|C<3>}	121.9820	0.000	1	121.9820	0.000	1	118.9413	1.326	297	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]C[6]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]C[6]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	118.2460	1.742	2	118.2460	3.036	2	118.9413	1.326	297	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]C[6]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]C[6]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.7976	0.862	9	118.7976	0.743	9	118.9413	1.326	297	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]HH)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]HH)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	120.8665	0.890	2	120.8665	0.793	2	118.9413	1.326	297	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]HH)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]HH)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|H<1>,1|O<2>}	119.8630	0.000	1	119.5696	0.378	8	118.9413	1.326	297	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]HH)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]HH)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.5277	0.652	7	119.5696	0.378	8	118.9413	1.326	297	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]HH)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]O)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]HH)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]O)2(CCO){1|C<3>,1|C<4>,1|H<1>}	123.3030	0.000	1	122.9315	0.167	4	118.9413	1.326	297	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]HH)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]O)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]HH)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]O)2(CCO){1|C<3>,2|H<1>}	122.8077	0.399	3	122.9315	0.167	4	118.9413	1.326	297	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]HN)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]HN)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.7270	0.992	7	118.7270	0.984	7	118.9413	1.326	297	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]HO)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]HO)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|H<1>,1|N<3>}	118.6980	0.000	1	119.5784	0.804	7	118.9413	1.326	297	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]HO)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]HO)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.7252	0.885	6	119.5784	0.804	7	118.9413	1.326	297	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]HP)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]HP)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.0168	0.945	24	118.0168	0.894	24	118.9413	1.326	297	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]HS)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]HS)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.6765	0.346	2	118.6765	0.120	2	118.9413	1.326	297	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]N[5]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]N[5]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.3959	0.703	19	118.3959	0.495	19	118.9413	1.326	297	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]N[5a]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]N[5a]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.8220	0.195	2	119.8220	0.038	2	118.9413	1.326	297	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]N[6]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]N[6]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.7970	0.000	1	118.7970	0.000	1	118.9413	1.326	297	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CN[5]CH)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CN[5]CH)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	120.0480	0.000	1	120.0480	0.000	1	118.9413	1.326	297	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CN[5]CH)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CN[5]CH)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCO){1|C<4>,2|C<3>,2|H<1>}	122.1020	0.000	1	122.1020	0.000	1	118.9413	1.326	297	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CN[5]HH)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CN[5]HH)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.9748	0.597	10	118.9748	0.357	10	118.9413	1.326	297	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CN[5]HH)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CN[5]HH)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCO){1|C<4>,2|C<3>,2|H<1>}	120.7096	0.442	5	120.7096	0.195	5	118.9413	1.326	297	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CN[5a]CH)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CN[5a]CH)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.5905	0.241	2	118.5905	0.058	2	118.9413	1.326	297	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CN[5a]HH)(CC[6a]O)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CN[5a]HH)(CC[6a]O)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	119.4070	0.000	1	119.4070	0.000	1	118.9413	1.326	297	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CN[5a]HH)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CN[5a]HH)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	120.3470	0.151	2	120.3470	0.023	2	118.9413	1.326	297	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CN[5a]HH)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CN[5a]HH)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|C<4>,1|H<1>}	117.9340	0.000	1	118.7392	0.379	33	118.9413	1.326	297	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CN[5a]HH)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CN[5a]HH)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|H<1>,1|N<3>}	118.7560	0.000	1	118.7392	0.379	33	118.9413	1.326	297	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CN[5a]HH)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CN[5a]HH)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|H<1>,1|O<2>}	118.3935	0.155	2	118.7392	0.379	33	118.9413	1.326	297	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CN[5a]HH)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CN[5a]HH)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.8013	0.652	27	118.7392	0.379	33	118.9413	1.326	297	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CN[5a]HH)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CN[5a]HH)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|Cl<1>,1|C<3>,1|H<1>}	118.6410	0.252	2	118.7392	0.379	33	118.9413	1.326	297	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CN[6]HH)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CN[6]HH)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,2|H<1>}	119.2760	0.000	1	119.2760	0.000	1	118.9413	1.326	297	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CN[6]HH)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CN[6]HH)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCO){1|C<4>,2|C<3>,2|H<1>}	120.9977	0.342	4	121.3996	0.895	5	118.9413	1.326	297	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(O)	C(CN[6]HH)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CCHH)(O)	C(CN[6]HH)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCO){2|H<1>,3|C<3>}	123.0070	0.000	1	121.3996	0.895	5	118.9413	1.326	297	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHO)(O)	C(CC[6a]CH)(CC[6a]O)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(C[6a]C[6a]2)(CCHO)(O)	C(CC[6a]CH)(CC[6a]O)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	124.5190	0.000	1	124.5190	0.000	1	123.3745	0.593	4	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHO)(O)	C(CC[6a]HN)(CC[6a]O)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(C[6a]C[6a]2)(CCHO)(O)	C(CC[6a]HN)(CC[6a]O)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	122.9930	0.125	3	122.9930	0.016	3	123.3745	0.593	4	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[3,5]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[3,5]HH)(O)	C(C[3,5]C[3,5]C[3]C[5])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[3,5]HH)(O)	C(C[3,5]C[3,5]C[3]C[5])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	117.1450	0.000	1	117.1450	0.000	1	117.1450	0.000	1	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[3]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[3]HH)(O)	C(C[3]C[3]2H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[3]HH)(O)	C(C[3]C[3]2H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.7350	0.000	1	118.7350	0.000	1	118.7350	0.000	1	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[3x4]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[3x4]HH)(O)	C(C[3x4]C[4,4]3)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[3x4]HH)(O)	C(C[3x4]C[4,4]3)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.9140	0.000	1	118.9140	0.000	1	118.9140	0.000	1	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[3x6]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[3x6]HH)(O)	C(C[3x6]C[6,6]3)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CC[3x6]HH)(O)	C(C[3x6]C[6,6]3)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	118.5090	0.000	1	118.5090	0.000	1	119.6119	6.160	14	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[3x6]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[3x6]HH)(O)	C(C[3x6]C[6,6]3)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]C)2(CCO)	C(C[6a]C[6a]2)(CC[3x6]HH)(O)	C(C[3x6]C[6,6]3)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]C)2(CCO){1|C<3>,2|H<1>}	114.5925	0.111	2	114.5925	0.012	2	119.6119	6.160	14	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[3x6]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[3x6]HH)(O)	C(C[3x6]C[6,6]3)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[3x6]HH)(O)	C(C[3x6]C[6,6]3)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	120.6247	1.311	11	120.6247	1.718	11	119.6119	6.160	14	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[5,5]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5,5]HH)(O)	C(C[5,5]C[3x5]C[5]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(C[6a]C[6a]2)(CC[5,5]HH)(O)	C(C[5,5]C[3x5]C[5]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,1|H<1>,1|O<2>}	122.7010	0.000	1	122.7010	0.000	1	120.5403	3.480	4	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[5,5]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5,5]HH)(O)	C(C[5,5]C[5,5,6]C[5]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(C[6a]C[6a]2)(CC[5,5]HH)(O)	C(C[5,5]C[5,5,6]C[5]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,1|H<1>,1|O<2>}	120.6500	0.283	2	120.6500	0.080	2	120.5403	3.480	4	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[5,5]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5,5]HH)(O)	C(C[5,5]C[5,6a]C[5,5]C[5])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[5,5]HH)(O)	C(C[5,5]C[5,6a]C[5,5]C[5])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.1600	0.000	1	118.1600	0.000	1	120.5403	3.480	4	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[5,6]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5,6]HH)(O)	C(C[5,6]C[5,5,6]C[5,6]C)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[5,6]HH)(O)	C(C[5,6]C[5,5,6]C[5,6]C)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.9490	0.659	2	118.9490	0.434	2	119.5113	2.004	8	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[5,6]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5,6]HH)(O)	C(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[5,6]HH)(O)	C(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.6290	0.000	1	118.6290	0.000	1	119.5113	2.004	8	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[5,6]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5,6]HH)(O)	C(C[5,6]C[5,6]2O)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CC[5,6]HH)(O)	C(C[5,6]C[5,6]2O)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	122.7180	0.000	1	122.7180	0.000	1	119.5113	2.004	8	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[5,6]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5,6]HH)(O)	C(C[5,6]C[5,6]C[5]C[6])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(C[6a]C[6a]2)(CC[5,6]HH)(O)	C(C[5,6]C[5,6]C[5]C[6])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,1|H<1>,1|O<2>}	118.7310	0.007	2	118.7310	0.000	2	119.5113	2.004	8	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[5,6]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5,6]HH)(O)	C(C[5,6]C[5,6]C[5]C[6])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[5,6]HH)(O)	C(C[5,6]C[5,6]C[5]C[6])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.6915	0.784	2	119.6915	0.615	2	119.5113	2.004	8	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[5]-4:C-3:Br-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5]BrH)(O)	C(C[5]C[5,6a]C[5]O)(CC[6a]O)(Br)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[5]BrH)(O)	C(C[5]C[5,6a]C[5]O)(CC[6a]O)(Br)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.4550	0.000	1	119.4550	0.000	1	119.4550	0.000	1	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[5]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5]HH)(O)	C(C[5]C[5,5]C[5]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[5]HH)(O)	C(C[5]C[5,5]C[5]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.3070	0.071	2	119.3070	0.005	2	118.6332	0.979	94	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[5]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5]HH)(O)	C(C[5]C[5,5]N[5]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[5]HH)(O)	C(C[5]C[5,5]N[5]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.6990	0.000	1	118.6990	0.000	1	118.6332	0.979	94	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[5]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5]HH)(O)	C(C[5]C[5,5a]C[5]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[5]HH)(O)	C(C[5]C[5,5a]C[5]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.6017	0.370	3	118.6017	0.137	3	118.6332	0.979	94	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[5]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5]HH)(O)	C(C[5]C[5,6]C[5]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[5]HH)(O)	C(C[5]C[5,6]C[5]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	117.5590	0.000	1	117.5590	0.000	1	118.6332	0.979	94	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[5]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5]HH)(O)	C(C[5]C[5,6a]C[5,5]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[5]HH)(O)	C(C[5]C[5,6a]C[5,5]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.2514	1.322	11	118.2514	1.748	11	118.6332	0.979	94	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[5]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5]HH)(O)	C(C[5]C[5,6a]C[5]C)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[5]HH)(O)	C(C[5]C[5,6a]C[5]C)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	117.8970	0.770	4	117.8970	0.593	4	118.6332	0.979	94	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[5]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5]HH)(O)	C(C[5]C[5,6a]C[5]C[6])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[5]HH)(O)	C(C[5]C[5,6a]C[5]C[6])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.5250	0.000	1	118.5250	0.000	1	118.6332	0.979	94	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[5]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5]HH)(O)	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(C[6a]C[6a]2)(CC[5]HH)(O)	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	120.7865	0.172	2	120.7865	0.030	2	118.6332	0.979	94	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[5]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5]HH)(O)	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[5]HH)(O)	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.9155	0.974	15	118.9155	0.948	15	118.6332	0.979	94	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[5]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5]HH)(O)	C(C[5]C[5,6a]C[5]O)(CC[6a]O)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CC[5]HH)(O)	C(C[5]C[5,6a]C[5]O)(CC[6a]O)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCO){1|C<3>,1|H<1>,1|O<2>}	118.0270	0.140	2	118.0270	0.020	2	118.6332	0.979	94	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[5]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5]HH)(O)	C(C[5]C[5,6a]C[5]O)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[5]HH)(O)	C(C[5]C[5,6a]C[5]O)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.1014	1.136	10	118.1094	1.163	11	118.6332	0.979	94	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[5]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5]HH)(O)	C(C[5]C[5,6a]C[5]O)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[5]HH)(O)	C(C[5]C[5,6a]C[5]O)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|N<2>,2|H<1>}	118.1890	0.000	1	118.1094	1.163	11	118.6332	0.979	94	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[5]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5]HH)(O)	C(C[5]C[5,6a]C[6a]C[5])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[5]HH)(O)	C(C[5]C[5,6a]C[6a]C[5])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.8090	0.092	2	118.8090	0.008	2	118.6332	0.979	94	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[5]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5]HH)(O)	C(C[5]C[5,6a]C[6a]N[5])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[5]HH)(O)	C(C[5]C[5,6a]C[6a]N[5])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	117.4450	0.000	1	117.4450	0.000	1	118.6332	0.979	94	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[5]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5]HH)(O)	C(C[5]C[5,6a]N[5]C)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[5]HH)(O)	C(C[5]C[5,6a]N[5]C)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.2353	0.183	3	118.2353	0.033	3	118.6332	0.979	94	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[5]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5]HH)(O)	C(C[5]C[5,6a]N[5]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[5]HH)(O)	C(C[5]C[5,6a]N[5]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.7090	0.602	2	118.7090	0.363	2	118.6332	0.979	94	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[5]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5]HH)(O)	C(C[5]C[5,6a]O[5]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[5]HH)(O)	C(C[5]C[5,6a]O[5]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.4664	0.456	5	118.4664	0.208	5	118.6332	0.979	94	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[5]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5]HH)(O)	C(C[5]C[5]2H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[5]HH)(O)	C(C[5]C[5]2H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.5368	0.846	12	118.5368	0.715	12	118.6332	0.979	94	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[5]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5]HH)(O)	C(C[5]C[5]N[5]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(C[6a]C[6a]2)(CC[5]HH)(O)	C(C[5]C[5]N[5]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	121.2980	0.000	1	121.2980	0.000	1	118.6332	0.979	94	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[5]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5]HH)(O)	C(C[5]C[5]N[5]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[5]HH)(O)	C(C[5]C[5]N[5]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|F<1>,1|H<1>}	118.7670	0.000	1	119.0650	0.331	6	118.6332	0.979	94	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[5]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5]HH)(O)	C(C[5]C[5]N[5]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[5]HH)(O)	C(C[5]C[5]N[5]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.1246	0.622	5	119.0650	0.331	6	118.6332	0.979	94	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[5]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5]HH)(O)	C(C[5]C[5]O[5]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[5]HH)(O)	C(C[5]C[5]O[5]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	120.1010	0.000	1	120.1010	0.000	1	118.6332	0.979	94	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[5]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5]HH)(O)	C(C[5]C[6a]C[5]N[5])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[5]HH)(O)	C(C[5]C[6a]C[5]N[5])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.8420	0.000	1	118.8420	0.000	1	118.6332	0.979	94	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[5]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5]HH)(O)	C(C[5]C[6a]C[5]O[5])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[5]HH)(O)	C(C[5]C[6a]C[5]O[5])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.0300	0.000	1	119.0300	0.000	1	118.6332	0.979	94	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[5]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5]HH)(O)	C(C[5]N[5,6]C[5]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[5]HH)(O)	C(C[5]N[5,6]C[5]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.6532	0.608	4	118.6532	0.370	4	118.6332	0.979	94	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[5]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5]HH)(O)	C(C[5]N[5]O[5]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[5]HH)(O)	C(C[5]N[5]O[5]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.5850	0.092	2	119.5850	0.008	2	118.6332	0.979	94	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6,6]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6,6]HH)(O)	C(C[6,6]C[6,6]2H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6,6]HH)(O)	C(C[6,6]C[6,6]2H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.0630	0.139	2	118.0630	0.019	2	118.0630	0.019	2	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6]-4:C-3:F-1:F-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6]FF)(O)	C(C[6]C[6]2C)(CC[6a]O)(F)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6]FF)(O)	C(C[6]C[6]2C)(CC[6a]O)(F)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	122.1000	0.000	1	122.1000	0.000	1	121.2280	1.521	2	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6]-4:C-3:F-1:F-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6]FF)(O)	C(C[6]C[6]2H)(CC[6a]O)(F)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6]FF)(O)	C(C[6]C[6]2H)(CC[6a]O)(F)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	120.3560	0.000	1	120.3560	0.000	1	121.2280	1.521	2	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6]HH)(O)	C(C[6]C[5,6]C[6]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CC[6]HH)(O)	C(C[6]C[5,6]C[6]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	122.4175	1.514	2	122.4175	2.292	2	118.7344	1.486	104	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6]HH)(O)	C(C[6]C[5,6]C[6]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]O)(CCO)	C(C[6a]C[6a]2)(CC[6]HH)(O)	C(C[6]C[5,6]C[6]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]O)(CCO){1|H<1>,2|C<3>,2|C<4>}	119.8370	0.000	1	119.8370	0.000	1	118.7344	1.486	104	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6]HH)(O)	C(C[6]C[5,6]C[6]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CC[6]HH)(O)	C(C[6]C[5,6]C[6]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCO){1|C<4>,2|C<3>,2|H<1>}	119.8670	0.000	1	119.8670	0.000	1	118.7344	1.486	104	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6]HH)(O)	C(C[6]C[5,6]C[6]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(CCO)	C(C[6a]C[6a]2)(CC[6]HH)(O)	C(C[6]C[5,6]C[6]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(CCO){1|C<4>,2|C<3>,2|H<1>}	119.3217	0.714	6	119.3217	0.510	6	118.7344	1.486	104	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6]HH)(O)	C(C[6]C[5,6]C[6]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6]HH)(O)	C(C[6]C[5,6]C[6]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.7708	0.659	6	118.7708	0.435	6	118.7344	1.486	104	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6]HH)(O)	C(C[6]C[5,6]O[6]C)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6]HH)(O)	C(C[6]C[5,6]O[6]C)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	117.8075	0.271	2	117.8075	0.073	2	118.7344	1.486	104	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6]HH)(O)	C(C[6]C[5a,6]C[6]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6]HH)(O)	C(C[6]C[5a,6]C[6]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.0410	0.000	1	118.0410	0.000	1	118.7344	1.486	104	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6]HH)(O)	C(C[6]C[6,6]2H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6]HH)(O)	C(C[6]C[6,6]2H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	117.4100	0.000	1	117.4100	0.000	1	118.7344	1.486	104	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6]HH)(O)	C(C[6]C[6,6]C[6]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]C)2(CCO)	C(C[6a]C[6a]2)(CC[6]HH)(O)	C(C[6]C[6,6]C[6]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]C)2(CCO){1|C<3>,2|C<4>}	116.4060	1.147	2	116.4060	1.315	2	118.7344	1.486	104	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6]HH)(O)	C(C[6]C[6,6]C[6]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6]HH)(O)	C(C[6]C[6,6]C[6]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.5140	0.530	2	118.5140	0.281	2	118.7344	1.486	104	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6]HH)(O)	C(C[6]C[6,6a]C[5,6]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6]HH)(O)	C(C[6]C[6,6a]C[5,6]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.2681	1.086	8	118.2681	1.179	8	118.7344	1.486	104	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6]HH)(O)	C(C[6]C[6,6a]C[6]C)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6]HH)(O)	C(C[6]C[6,6a]C[6]C)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	117.9773	0.884	3	117.9773	0.781	3	118.7344	1.486	104	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6]HH)(O)	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CC[6]HH)(O)	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	119.0000	0.000	1	119.0000	0.000	1	118.7344	1.486	104	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6]HH)(O)	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(C[6a]C[6a]2)(CC[6]HH)(O)	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	120.5270	0.000	1	120.5270	0.000	1	118.7344	1.486	104	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6]HH)(O)	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6]HH)(O)	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.7853	1.000	20	118.7853	0.999	20	118.7344	1.486	104	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6]HH)(O)	C(C[6]C[6,6a]N[6]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6]HH)(O)	C(C[6]C[6,6a]N[6]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.5254	0.607	5	118.5254	0.369	5	118.7344	1.486	104	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6]HH)(O)	C(C[6]C[6]2C)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	C(C[6a]C[6a]2)(CC[6]HH)(O)	C(C[6]C[6]2C)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,2|H<1>}	118.5480	0.000	1	118.5480	0.000	1	118.7344	1.486	104	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6]HH)(O)	C(C[6]C[6]2C)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6]HH)(O)	C(C[6]C[6]2C)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	116.8410	0.000	1	116.8410	0.000	1	118.7344	1.486	104	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6]HH)(O)	C(C[6]C[6]2H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]C)2(CCO)	C(C[6a]C[6a]2)(CC[6]HH)(O)	C(C[6]C[6]2H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]C)2(CCO){1|C<3>,2|C<4>}	116.4713	1.282	3	116.4713	1.644	3	118.7344	1.486	104	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6]HH)(O)	C(C[6]C[6]2H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	C(C[6a]C[6a]2)(CC[6]HH)(O)	C(C[6]C[6]2H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,2|H<1>}	120.5430	0.000	1	120.5430	0.000	1	118.7344	1.486	104	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6]HH)(O)	C(C[6]C[6]2H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6]HH)(O)	C(C[6]C[6]2H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.4495	0.800	11	118.4495	0.640	11	118.7344	1.486	104	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6]HH)(O)	C(C[6]C[6]N[6]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6]HH)(O)	C(C[6]C[6]N[6]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.4507	0.390	3	119.2548	0.255	4	118.7344	1.486	104	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6]HH)(O)	C(C[6]C[6]N[6]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6]HH)(O)	C(C[6]C[6]N[6]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|Cl<1>,1|C<3>,1|H<1>}	118.6670	0.000	1	119.2548	0.255	4	118.7344	1.486	104	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6]HH)(O)	C(C[6]C[6]O[6]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CC[6]HH)(O)	C(C[6]C[6]O[6]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	119.5140	0.000	1	119.5140	0.000	1	118.7344	1.486	104	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6]HH)(O)	C(C[6]C[6]O[6]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6]HH)(O)	C(C[6]C[6]O[6]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.2824	0.941	14	119.2824	0.886	14	118.7344	1.486	104	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6]HH)(O)	C(C[6]C[6]S[6]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6]HH)(O)	C(C[6]C[6]S[6]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	117.4413	0.410	3	117.4413	0.168	3	118.7344	1.486	104	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6]HH)(O)	C(C[6]N[5,6]C[6]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6]HH)(O)	C(C[6]N[5,6]C[6]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.2480	0.000	1	119.2480	0.000	1	118.7344	1.486	104	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6]HH)(O)	C(C[6]N[6,6]C[6]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6]HH)(O)	C(C[6]N[6,6]C[6]H)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	120.0480	0.663	2	120.0480	0.440	2	118.7344	1.486	104	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6]-4:C-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6]HO)(O)	C(C[6]C[6]2H)(CC[6a]O)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(C[6a]C[6a]2)(CC[6]HO)(O)	C(C[6]C[6]2H)(CC[6a]O)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	121.7750	0.000	1	121.7750	0.000	1	121.7750	0.000	1	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	P-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHP)(O)	C(PC[6a]2Co)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CHHP)(O)	C(PC[6a]2Co)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.9730	0.000	1	118.9730	0.000	1	118.4520	1.524	14	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	P-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHP)(O)	C(PC[6a]2Fe)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CHHP)(O)	C(PC[6a]2Fe)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	120.5650	0.000	1	120.5650	0.000	1	118.4520	1.524	14	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	P-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHP)(O)	C(PC[6a]2Mo)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CHHP)(O)	C(PC[6a]2Mo)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.8000	0.000	1	118.8000	0.000	1	118.4520	1.524	14	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	P-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHP)(O)	C(PC[6a]2O)(CC[6a]O)(H)2	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]P)(CCO)	C(C[6a]C[6a]2)(CHHP)(O)	C(PC[6a]2O)(CC[6a]O)(H)2	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]P)(CCO){1|C<3>,2|C<4>}	115.2450	0.000	1	115.2450	0.000	1	118.4520	1.524	14	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	P-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHP)(O)	C(PC[6a]2O)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CHHP)(O)	C(PC[6a]2O)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.8590	1.741	2	118.8590	3.031	2	118.4520	1.524	14	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	P-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHP)(O)	C(PC[6a]3)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CHHP)(O)	C(PC[6a]3)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	118.8530	0.000	1	118.8530	0.000	1	118.4520	1.524	14	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	P-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHP)(O)	C(PC[6a]3)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CHHP)(O)	C(PC[6a]3)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.3106	0.410	7	118.3106	0.168	7	118.4520	1.524	14	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	S-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHS)(O)	C(SC[5a]OO)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CHHS)(O)	C(SC[5a]OO)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	116.9250	0.000	1	116.9250	0.000	1	118.6262	2.607	12	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	S-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHS)(O)	C(SC[6a]OO)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CHHS)(O)	C(SC[6a]OO)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCO){2|H<1>,3|C<3>}	119.8510	0.000	1	119.8510	0.000	1	118.6262	2.607	12	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	S-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHS)(O)	C(SC[6a]OO)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CHHS)(O)	C(SC[6a]OO)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|H<1>,1|O<2>}	117.4770	0.000	1	118.6738	2.696	10	118.6262	2.607	12	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	S-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHS)(O)	C(SC[6a]OO)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CHHS)(O)	C(SC[6a]OO)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.8068	1.683	9	118.6738	2.696	10	118.6262	2.607	12	118.9353	1.862	603	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:2:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHO)(O)	C(CC[3,6]HH)(CC[6a]O)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHO)(O)	C(CC[3,6]HH)(CC[6a]O)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	120.4330	0.000	1	120.4330	0.000	1	119.3542	2.115	40	119.4629	1.827	51	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:2:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHO)(O)	C(CC[5a]HH)(CC[6a]O)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHO)(O)	C(CC[5a]HH)(CC[6a]O)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	120.8230	0.000	1	120.8230	0.000	1	119.3542	2.115	40	119.4629	1.827	51	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:2:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHO)(O)	C(CC[5a]HO)(CC[6a]O)(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(C[6a]C[6a]2)(CCHO)(O)	C(CC[5a]HO)(CC[6a]O)(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,1|H<1>,1|O<2>}	119.3260	0.000	1	119.3260	0.000	1	119.3542	2.115	40	119.4629	1.827	51	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:2:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHO)(O)	C(CC[6a]CH)(CC[6a]O)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHO)(O)	C(CC[6a]CH)(CC[6a]O)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	121.2170	0.000	1	121.2170	0.000	1	119.3542	2.115	40	119.4629	1.827	51	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:2:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHO)(O)	C(CC[6a]HO)(CC[6a]O)(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(C[6a]C[6a]2)(CCHO)(O)	C(CC[6a]HO)(CC[6a]O)(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,1|H<1>,1|O<2>}	118.9987	2.086	3	118.9987	4.351	3	119.3542	2.115	40	119.4629	1.827	51	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:2:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHO)(O)	C(CC[6a]N[5a]H)(CC[6a]O)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHO)(O)	C(CC[6a]N[5a]H)(CC[6a]O)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	121.6800	0.000	1	121.6800	0.000	1	119.3542	2.115	40	119.4629	1.827	51	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:2:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHO)(O)	C(CN[5a]HH)(CC[6a]O)(OC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CCHO)(O)	C(CN[5a]HH)(CC[6a]O)(OC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	116.2945	1.085	2	116.2945	1.178	2	119.3542	2.115	40	119.4629	1.827	51	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:2:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHO)(O)	C(CN[5a]HH)(CC[6a]O)(OC)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CCHO)(O)	C(CN[5a]HH)(CC[6a]O)(OC)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	120.8845	0.176	4	120.8845	0.031	4	119.3542	2.115	40	119.4629	1.827	51	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:2:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHO)(O)	C(CN[5a]HH)(CC[6a]O)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHO)(O)	C(CN[5a]HH)(CC[6a]O)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|C<4>,1|H<1>}	119.1750	1.170	2	119.0966	1.231	25	119.3542	2.115	40	119.4629	1.827	51	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:2:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHO)(O)	C(CN[5a]HH)(CC[6a]O)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHO)(O)	C(CN[5a]HH)(CC[6a]O)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|H<1>,1|O<2>}	118.2130	0.000	1	119.0966	1.231	25	119.3542	2.115	40	119.4629	1.827	51	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:2:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHO)(O)	C(CN[5a]HH)(CC[6a]O)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHO)(O)	C(CN[5a]HH)(CC[6a]O)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.1297	1.142	22	119.0966	1.231	25	119.3542	2.115	40	119.4629	1.827	51	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:2:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHO)(O)	C(CN[6]HH)(CC[6a]O)(ON[6])(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHO)(O)	C(CN[6]HH)(CC[6a]O)(ON[6])(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	120.1490	0.000	1	120.1490	0.000	1	119.3542	2.115	40	119.4629	1.827	51	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:2:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:S-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHS)(O)	C(CC[6a]HN)(CC[6a]O)(SC[6a])(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHS)(O)	C(CC[6a]HN)(CC[6a]O)(SC[6a])(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.7530	0.000	1	119.7530	0.000	1	119.4655	0.165	2	119.4629	1.827	51	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:2:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:S-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHS)(O)	C(CN[5a]HH)(CC[6a]O)(SC)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHS)(O)	C(CN[5a]HH)(CC[6a]O)(SC)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.1780	0.000	1	119.1780	0.000	1	119.4655	0.165	2	119.4629	1.827	51	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:2:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[5]-4:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5]HO)(O)	C(C[5]C[5,6a]C[6a]C[5])(CC[6a]O)(ON[6])(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[5]HO)(O)	C(C[5]C[5,6a]C[6a]C[5])(CC[6a]O)(ON[6])(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	120.2470	0.000	1	120.2470	0.000	1	120.1363	0.391	7	119.4629	1.827	51	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:2:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[5]-4:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5]HO)(O)	C(C[5]C[5]O[5]H)(CC[6a]O)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[5]HO)(O)	C(C[5]C[5]O[5]H)(CC[6a]O)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	120.1178	0.683	6	120.1178	0.467	6	120.1363	0.391	7	119.4629	1.827	51	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:2:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6]-4:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6]HO)(O)	C(C[6]C[6]2H)(CC[6a]O)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6]HO)(O)	C(C[6]C[6]2H)(CC[6a]O)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	120.4280	0.000	1	120.4280	0.000	1	120.4280	0.000	1	119.4629	1.827	51	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:2:1:	3:3:3:	C[6a]-3:C-4:O-1:	S-4:C-3:S-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHSS)(O)	C(SC[6a]OO)(CC[6a]O)(SC)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CHSS)(O)	C(SC[6a]OO)(CC[6a]O)(SC)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.1260	0.000	1	118.1260	0.000	1	118.1260	0.000	1	119.4629	1.827	51	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[5]CH)(CC[6a]O)2(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[5]CH)(CC[6a]O)2(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.2458	1.187	4	119.2458	1.408	4	119.6608	1.380	35	119.6780	1.817	55	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[5a]HH)(CC[6a]O)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[5a]HH)(CC[6a]O)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.3360	0.000	1	118.3360	0.000	1	119.6608	1.380	35	119.6780	1.817	55	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]2H)(CC[6a]O)(CCO)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]2H)(CC[6a]O)(CCO)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.8530	0.566	2	119.8530	0.320	2	119.6608	1.380	35	119.6780	1.817	55	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]2H)(CC[6a]O)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]2H)(CC[6a]O)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.1370	0.000	1	119.1370	0.000	1	119.6608	1.380	35	119.6780	1.817	55	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]CH)(CC[6a]O)(CCO)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]CH)(CC[6a]O)(CCO)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.6587	0.467	3	119.6587	0.218	3	119.6608	1.380	35	119.6780	1.817	55	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]CH)(CC[6a]O)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]CH)(CC[6a]O)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.7400	0.206	2	119.7400	0.043	2	119.6608	1.380	35	119.6780	1.817	55	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]CH)(CC[6a]O)2(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]CH)(CC[6a]O)2(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	120.1195	1.497	13	120.1195	2.240	13	119.6608	1.380	35	119.6780	1.817	55	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]C[5]H)(CC[6a]O)2(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]C[5]H)(CC[6a]O)2(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.7565	1.698	2	119.7565	2.882	2	119.6608	1.380	35	119.6780	1.817	55	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]HH)(CC[6a]O)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]HH)(CC[6a]O)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.0960	0.000	1	119.0960	0.000	1	119.6608	1.380	35	119.6780	1.817	55	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]HH)(CC[6a]O)2(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]HH)(CC[6a]O)2(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.4490	1.050	4	119.4490	1.102	4	119.6608	1.380	35	119.6780	1.817	55	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]HS)(CC[6a]O)(CCO)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]HS)(CC[6a]O)(CCO)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.7760	1.092	2	118.7760	1.192	2	119.6608	1.380	35	119.6780	1.817	55	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHN)(O)	C(CC[6a]BrH)(CC[6a]O)(NCS)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHN)(O)	C(CC[6a]BrH)(CC[6a]O)(NCS)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	123.4500	0.000	1	123.4500	0.000	1	119.5477	11.545	3	119.6780	1.817	55	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHN)(O)	C(CC[6a]HO)(CC[6a]O)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHN)(O)	C(CC[6a]HO)(CC[6a]O)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	117.5965	0.499	2	117.5965	0.249	2	119.5477	11.545	3	119.6780	1.817	55	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]CH)(O)	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]CH)(O)	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	120.5575	0.704	2	120.5575	0.495	2	120.5575	0.495	2	119.6780	1.817	55	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[5]-4:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5]CH)(O)	C(C[5]C[5,6a]C[5,6]H)(CC[6a]O)2(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[5]CH)(O)	C(C[5]C[5,6a]C[5,6]H)(CC[6a]O)2(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.8605	1.295	2	119.8605	1.676	2	119.6441	2.171	11	119.6780	1.817	55	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[5]-4:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5]CH)(O)	C(C[5]C[5,6a]N[5]C)(CC[6a]O)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[5]CH)(O)	C(C[5]C[5,6a]N[5]C)(CC[6a]O)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	120.9005	0.477	2	120.9005	0.228	2	119.6441	2.171	11	119.6780	1.817	55	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[5]-4:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5]CH)(O)	C(C[5]C[6a]C[5]N[5])(CC[6a]O)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[5]CH)(O)	C(C[5]C[6a]C[5]N[5])(CC[6a]O)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	117.7230	0.000	1	117.7230	0.000	1	119.6441	2.171	11	119.6780	1.817	55	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[5]-4:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5]CH)(O)	C(C[5]C[6a]C[5]N[5])(CC[6a]O)2(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[5]CH)(O)	C(C[5]C[6a]C[5]N[5])(CC[6a]O)2(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.2018	1.782	4	119.2018	3.177	4	119.6441	2.171	11	119.6780	1.817	55	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[5]-4:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5]CH)(O)	C(C[5]N[5]O[5]H)(CC[6a]O)2(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[5]CH)(O)	C(C[5]N[5]O[5]H)(CC[6a]O)2(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	120.0165	1.507	2	120.0165	2.271	2	119.6441	2.171	11	119.6780	1.817	55	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[5]-4:C[5]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5]2H)(O)	C(C[5]C[5,6a]C[5]H)(C[5]C[5]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[5]2H)(O)	C(C[5]C[5,6a]C[5]H)(C[5]C[5]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	117.8900	0.000	1	117.8900	0.000	1	117.8900	0.000	1	119.6780	1.817	55	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6a]-3:C-4:O-1:	S-4:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHS)(O)	C(SC[6a]OO)(CC[6a]O)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHS)(O)	C(SC[6a]OO)(CC[6a]O)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	120.1427	0.459	3	120.1427	0.211	3	120.1427	0.211	3	119.6780	1.817	55	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:3:2:	3:3:3:	C[6a]-3:C-4:O-1:	C[6]-4:C-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6]CO)(O)	C(C[6]C[6]2H)(CC[6a]O)(COO)(OH)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6]CO)(O)	C(C[6]C[6]2H)(CC[6a]O)(COO)(OH)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.0170	0.000	1	119.0170	0.000	1	119.0170	0.000	1	119.0170	0.000	1	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:3:3:	3:3:3:	C[6a]-3:C-4:H-1:	C-4:C-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC3)(H)	C(CC[6]HH)(CC[6a]H)(CCO)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)(CC3)(H)	C(CC[6]HH)(CC[6a]H)(CCO)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	117.0250	0.000	1	117.0250	0.000	1	117.0250	0.000	1	117.0250	0.000	1	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:4:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]2H)(CC[6a]O)(CHHO)(H)	C[6a](C[6a]C[6a]C)2(CCO)	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]2H)(CC[6a]O)(CHHO)(H)	C[6a](C[6a]C[6a]C)2(CCO){1|C<3>,2|H<1>}	118.3510	0.000	1	118.3510	0.000	1	119.8081	1.395	16	119.5177	1.752	32	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:4:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]CH)(CC[6a]O)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]CH)(CC[6a]O)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.4605	0.568	2	118.4605	0.322	2	119.8081	1.395	16	119.5177	1.752	32	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:4:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]HH)(CC[6a]O)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]HH)(CC[6a]O)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	120.5056	0.730	7	120.5056	0.533	7	119.8081	1.395	16	119.5177	1.752	32	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:4:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]HH)(CC[6a]O)(CCHH)(H)	C[6a](C[6a]C[6a]C)2(CCO)	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]HH)(CC[6a]O)(CCHH)(H)	C[6a](C[6a]C[6a]C)2(CCO){1|C<3>,2|C<4>}	117.7700	0.000	1	117.7700	0.000	1	119.8081	1.395	16	119.5177	1.752	32	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:4:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]HH)(CC[6a]O)(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]HH)(CC[6a]O)(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	120.8420	0.000	1	120.8420	0.000	1	119.8081	1.395	16	119.5177	1.752	32	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:4:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]HN)(CC[6a]O)(CF3)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]HN)(CC[6a]O)(CF3)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.0050	0.000	1	119.0050	0.000	1	119.8081	1.395	16	119.5177	1.752	32	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:4:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]HN)(CC[6a]O)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]HN)(CC[6a]O)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	120.1673	0.999	3	120.1673	0.997	3	119.8081	1.395	16	119.5177	1.752	32	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:4:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[5,6]-4:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5,6]CH)(O)	C(C[5,6]C[5,5,6]C[5,6]C)(CC[6a]O)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[5,6]CH)(O)	C(C[5,6]C[5,5,6]C[5,6]C)(CC[6a]O)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	117.9960	0.000	1	117.9960	0.000	1	117.9960	0.000	1	119.5177	1.752	32	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:4:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[5]-4:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5]CH)(O)	C(C[5]C[5,6a]C[5]O)(CC[6a]O)(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CC[5]CH)(O)	C(C[5]C[5,6a]C[5]O)(CC[6a]O)(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	119.3490	0.000	1	119.3490	0.000	1	119.4830	0.073	5	119.5177	1.752	32	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:4:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[5]-4:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5]CH)(O)	C(C[5]C[5,6a]N[5]C)(CC[6a]O)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[5]CH)(O)	C(C[5]C[5,6a]N[5]C)(CC[6a]O)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.6830	0.000	1	119.6830	0.000	1	119.4830	0.073	5	119.5177	1.752	32	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:4:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[5]-4:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5]CH)(O)	C(C[5]C[5]N[5]H)(CC[6a]O)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[5]CH)(O)	C(C[5]C[5]N[5]H)(CC[6a]O)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.2640	0.034	2	119.2640	0.001	2	119.4830	0.073	5	119.5177	1.752	32	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:4:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[5]-4:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5]CH)(O)	C(C[5]C[5]N[5]H)(CC[6a]O)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[5]CH)(O)	C(C[5]C[5]N[5]H)(CC[6a]O)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.8550	0.000	1	119.8550	0.000	1	119.4830	0.073	5	119.5177	1.752	32	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:4:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6]-4:C-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C-3:	C(C[6a]C[6,6a]C[6a])(CC[6]CH)(O)	C(C[6]C[6]O[6]H)(CC[6a]O)(CH3)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CCO)	C(C[6a]C[6,6a]C[6a])(CC[6]CH)(O)	C(C[6]C[6]O[6]H)(CC[6a]O)(CH3)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CCO){1|C<4>,1|O<1>,3|C<3>}	117.5700	0.000	1	117.5700	0.000	1	117.5700	0.000	1	119.5177	1.752	32	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:4:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6]-4:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6]CH)(O)	C(C[6]C[6]2H)(CC[6a]O)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6]CH)(O)	C(C[6]C[6]2H)(CC[6a]O)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.0450	0.000	1	119.0450	0.000	1	120.2250	2.785	2	119.5177	1.752	32	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:4:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6]-4:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6]CH)(O)	C(C[6]C[6]2H)(CC[6a]O)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6]CH)(O)	C(C[6]C[6]2H)(CC[6a]O)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	121.4050	0.000	1	121.4050	0.000	1	120.2250	2.785	2	119.5177	1.752	32	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:4:1:	3:3:3:	C[6a]-3:C-4:O-1:	N[5]-4:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CN[5]CH)(O)	C(N[5]C[5]2H)(CC[6a]O)(CCHH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CN[5]CH)(O)	C(N[5]C[5]2H)(CC[6a]O)(CCHH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCO){1|C<3>,1|H<1>,1|O<2>}	118.7810	1.895	2	118.7810	3.591	2	118.7810	3.591	2	119.5177	1.752	32	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:4:1:	3:3:3:	C[6a]-3:C-4:O-1:	P-4:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHP)(O)	C(PC[6a]2O)(CC[6a]O)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHP)(O)	C(PC[6a]2O)(CC[6a]O)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	121.5140	0.000	1	121.5140	0.000	1	121.5140	0.000	1	119.5177	1.752	32	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:4:1:	3:3:3:	C[6a]-3:C-4:O-1:	S-4:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHS)(O)	C(SC[6a]OO)(CC[6a]O)(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CCHS)(O)	C(SC[6a]OO)(CC[6a]O)(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO){1|C<3>,1|H<1>,1|O<2>}	117.2530	1.028	2	117.2530	1.057	2	118.7823	3.666	4	119.5177	1.752	32	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:4:1:	3:3:3:	C[6a]-3:C-4:O-1:	S-4:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHS)(O)	C(SC[6a]OO)(CC[6a]O)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHS)(O)	C(SC[6a]OO)(CC[6a]O)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.7700	0.000	1	119.7700	0.000	1	118.7823	3.666	4	119.5177	1.752	32	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:4:1:	3:3:3:	C[6a]-3:C-4:O-1:	S-4:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHS)(O)	C(SC[6a]OO)(CC[6a]O)(CHHS)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCHS)(O)	C(SC[6a]OO)(CC[6a]O)(CHHS)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	120.8530	0.000	1	120.8530	0.000	1	118.7823	3.666	4	119.5177	1.752	32	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:4:2:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-3:C-4:C-2:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC3)(O)	C(CC[6a]2H)(CC[6a]O)(CHHS)(CN)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC3)(O)	C(CC[6a]2H)(CC[6a]O)(CHHS)(CN)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	121.9270	0.000	1	121.9270	0.000	1	121.9270	0.000	1	121.9270	0.000	1	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:4:4:	3:3:3:	C[6a]-3:C-4:S-1:	C-4:C-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC3)(S)	C(CC[6a]HH)(CC[6a]S)(CH3)2	C[6a](C[6a]C[6a]H)2(CCS)	C(C[6a]C[6a]2)(CC3)(S)	C(CC[6a]HH)(CC[6a]S)(CH3)2	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	118.1640	0.000	1	118.1640	0.000	1	118.1640	0.000	1	118.1640	0.000	1	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:4:3:1:	3:2:3:	C[6a]-3:C-4:O-1:	C-4:C-4:C-3:H-1:	C[6a]-3:N[6a]-2:C-3:	C(C[6a]C[6a]N[6a])(CCCH)(O)	C(CC[6a]HH)2(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO)	C(C[6a]C[6a]N[6a])(CCCH)(O)	C(CC[6a]HH)2(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO){1|C<3>,2|H<1>}	118.0257	0.774	3	118.0257	0.599	3	118.0257	0.599	3	118.0257	0.599	3	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:4:3:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]CH)2(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]CH)2(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	121.0243	0.400	3	121.0243	0.160	3	120.9733	0.117	4	121.0558	0.226	9	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:4:3:1:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]HN)(CC[6a]HS)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CCCH)(O)	C(CC[6a]HN)(CC[6a]HS)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	120.8200	0.000	1	120.8200	0.000	1	120.9733	0.117	4	121.0558	0.226	9	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:4:3:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[5,6]-4:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5,6]CH)(O)	C(C[5,6]C[5,5,6]C[5,6]C)(CC[6a]HH)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[5,6]CH)(O)	C(C[5,6]C[5,5,6]C[5,6]C)(CC[6a]HH)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	121.0418	0.652	4	121.0418	0.425	4	121.0418	0.425	4	121.0558	0.226	9	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:4:3:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[5]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5]C[6]H)(O)	C(C[5]C[5,6a]C[5]H)(C[6]C[6,6a]2H)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[5]C[6]H)(O)	C(C[5]C[5,6a]C[5]H)(C[6]C[6,6a]2H)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	121.4420	0.000	1	121.4420	0.000	1	121.4420	0.000	1	121.0558	0.226	9	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	4:4:3:3:	3:3:3:	C[6a]-3:C-4:O-1:	C-4:C-4:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC3)(O)	C(CC[5a]HH)2(CC[6a]O)(COO)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC3)(O)	C(CC[5a]HH)2(CC[6a]O)(COO)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.2780	0.000	1	119.2780	0.000	1	119.2780	0.000	1	119.2780	0.000	1	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	5:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	As[5,5]-5:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CAs[5,5]HH)(O)	C(As[5,5]C[5,6a]2O[5]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CAs[5,5]HH)(O)	C(As[5,5]C[5,6a]2O[5]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.3535	0.815	2	118.3535	0.665	2	118.3535	0.665	2	119.6450	1.633	6	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	5:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	P-5:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHP)(O)	C(PC[6a]2DyO)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CHHP)(O)	C(PC[6a]2DyO)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	120.3165	0.825	2	120.3165	0.681	2	120.2908	0.832	4	119.6450	1.633	6	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:1:	5:3:1:1:	3:3:3:	C[6a]-3:C-4:O-1:	P-5:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHP)(O)	C(PC[6a]2TbO)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CHHP)(O)	C(PC[6a]2TbO)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	120.2650	1.346	2	120.2650	1.813	2	120.2908	0.832	4	119.6450	1.633	6	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	2:3:3:	C[6a]-3:C-4:N-2:	C-3:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:C-3:	C(C[6a]C[6a]N[6a])(CH3)(NN)	C(CC[6a]N)(H)3	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CCN)	C(C[6a]C[6a]N[6a])(CH3)(NN)	C(CC[6a]N)(H)3	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CCN){2|C<3>}	118.1195	0.295	2	118.1195	0.087	2	118.1195	0.087	2	118.1195	0.087	2	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:2:3:	C[6a]-3:C-4:N-2:	C-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-3:	C(C[6a]C[6a]N[6a])(CH3)(NC)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	C(C[6a]C[6a]N[6a])(CH3)(NC)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|C<3>,2|H<1>}	118.9260	1.513	7	118.6222	1.863	10	119.1750	0.748	77	119.1750	0.748	77	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:2:3:	C[6a]-3:C-4:N-2:	C-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-3:	C(C[6a]C[6a]N[6a])(CH3)(NC)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	C(C[6a]C[6a]N[6a])(CH3)(NC)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|H<1>,2|C<3>}	117.9133	0.666	3	118.6222	1.863	10	119.1750	0.748	77	119.1750	0.748	77	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:2:3:	C[6a]-3:C-4:N-2:	C-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-3:	C(C[6a]C[6a]N[6a])(CH3)(NN)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	C(C[6a]C[6a]N[6a])(CH3)(NN)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|C<3>,1|C<4>,1|H<1>}	118.8810	0.000	1	119.0867	0.475	43	119.1750	0.748	77	119.1750	0.748	77	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:2:3:	C[6a]-3:C-4:N-2:	C-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-3:	C(C[6a]C[6a]N[6a])(CH3)(NN)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	C(C[6a]C[6a]N[6a])(CH3)(NN)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|C<3>,2|H<1>}	119.1106	0.667	37	119.0867	0.475	43	119.1750	0.748	77	119.1750	0.748	77	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:2:3:	C[6a]-3:C-4:N-2:	C-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-3:	C(C[6a]C[6a]N[6a])(CH3)(NN)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	C(C[6a]C[6a]N[6a])(CH3)(NN)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|H<1>,2|C<3>}	118.9512	0.973	5	119.0867	0.475	43	119.1750	0.748	77	119.1750	0.748	77	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:2:3:	C[6a]-3:C-4:N-2:	C-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-3:	C(C[6a]C[6a]N[6a])(CH3)(NN)	C(CC[6a]N)(H)3	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CCN)	C(C[6a]C[6a]N[6a])(CH3)(NN)	C(CC[6a]N)(H)3	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CCN){1|C<3>,1|H<1>}	118.8913	0.726	3	118.8913	0.527	3	119.1750	0.748	77	119.1750	0.748	77	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:2:3:	C[6a]-3:C-4:N-2:	C-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-3:	C(C[6a]C[6a]N[6a])(CH3)(NN)	C(CC[6a]N)(H)3	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCN)	C(C[6a]C[6a]N[6a])(CH3)(NN)	C(CC[6a]N)(H)3	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCN){1|C<3>,1|H<1>}	119.6507	0.776	18	119.6558	0.551	20	119.1750	0.748	77	119.1750	0.748	77	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:2:3:	C[6a]-3:C-4:N-2:	C-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-3:	C(C[6a]C[6a]N[6a])(CH3)(NN)	C(CC[6a]N)(H)3	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCN)	C(C[6a]C[6a]N[6a])(CH3)(NN)	C(CC[6a]N)(H)3	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCN){1|N<2>,1|S<2>}	119.7020	0.470	2	119.6558	0.551	20	119.1750	0.748	77	119.1750	0.748	77	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:2:3:	C[6a]-3:C-4:N-2:	C-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-3:	C(C[6a]C[6a]N[6a])(CH3)(NO)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	C(C[6a]C[6a]N[6a])(CH3)(NO)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|C<3>,2|H<1>}	119.7320	0.000	1	119.7320	0.000	1	119.1750	0.748	77	119.1750	0.748	77	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-2:	C-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CF3)(CC)	C(CC[6a]C)(F)3	C[6a](C[6a]C[6a]F)2(CCC)	C(C[6a]C[6a]2)(CF3)(CC)	C(CC[6a]C)(F)3	C[6a](C[6a]C[6a]F)2(CCC){1|C<3>,2|F<1>}	117.2190	0.000	1	117.2190	0.000	1	117.2190	0.000	1	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(CC)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a]2)(CH3)(CC)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|C<3>,1|H<1>,1|O<2>}	118.2260	0.000	1	118.2260	0.000	1	118.9763	1.086	7	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(CC)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCC)	C(C[6a]C[6a]2)(CH3)(CC)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCC){1|C<3>,2|H<1>}	120.7640	0.000	1	120.7640	0.000	1	118.9763	1.086	7	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(CC)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CH3)(CC)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	119.2040	0.948	2	119.2040	0.898	2	118.9763	1.086	7	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(CRu)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CH3)(CRu)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	118.4787	0.711	3	118.4787	0.506	3	118.9763	1.086	7	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:Cl-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CClHH)(NO)	C(CC[6a]N)(Cl)(H)2	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CClHH)(NO)	C(CC[6a]N)(Cl)(H)2	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	120.1300	0.136	2	120.1300	0.018	2	120.1300	0.018	2	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CF3)(NN)	C(CC[6a]N)(F)3	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CCN)	C(C[6a]C[6a]2)(CF3)(NN)	C(CC[6a]N)(F)3	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CCN){2|C<3>}	116.8960	0.000	1	116.8960	0.000	1	118.3398	1.300	4	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CF3)(NN)	C(CC[6a]N)(F)3	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CF3)(NN)	C(CC[6a]N)(F)3	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	118.1670	0.000	1	118.1670	0.000	1	118.3398	1.300	4	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CF3)(NO)	C(CC[6a]N)(F)3	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CF3)(NO)	C(CC[6a]N)(F)3	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	119.1480	0.692	2	119.1480	0.478	2	118.3398	1.300	4	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:F-1:F-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CFFH)(NS)	C(CC[6a]N)(F)2(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCN)	C(C[6a]C[6a]2)(CFFH)(NS)	C(CC[6a]N)(F)2(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCN){1|H<1>,2|C<3>}	119.4110	0.000	1	119.4110	0.000	1	119.4110	0.000	1	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:F-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CFHH)(NC)	C(CC[6a]N)(F)(H)2	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CFHH)(NC)	C(CC[6a]N)(F)(H)2	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	116.9870	0.000	1	116.9870	0.000	1	118.6510	5.538	2	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:F-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CFHH)(NN)	C(CC[6a]N)(F)(H)2	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CFHH)(NN)	C(CC[6a]N)(F)(H)2	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	120.3150	0.000	1	120.3150	0.000	1	118.6510	5.538	2	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-3:	C(C[6a]C[5,6a]C[6a])(CH3)(NN)	C(CC[6a]N)(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCN)	C(C[6a]C[5,6a]C[6a])(CH3)(NN)	C(CC[6a]N)(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCN){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.9530	0.544	2	120.9530	0.296	2	118.8488	4.096	5	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-3:	C(C[6a]C[5,6a]C[6a])(CH3)(NS)	C(CC[6a]N)(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCN)	C(C[6a]C[5,6a]C[6a])(CH3)(NS)	C(CC[6a]N)(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCN){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	118.0930	0.000	1	117.4460	0.664	3	118.8488	4.096	5	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-3:	C(C[6a]C[5,6a]C[6a])(CH3)(NS)	C(CC[6a]N)(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCN)	C(C[6a]C[5,6a]C[6a])(CH3)(NS)	C(CC[6a]N)(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCN){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	116.5310	0.000	1	117.4460	0.664	3	118.8488	4.096	5	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-3:	C(C[6a]C[5,6a]C[6a])(CH3)(NS)	C(CC[6a]N)(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCN)	C(C[6a]C[5,6a]C[6a])(CH3)(NS)	C(CC[6a]N)(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCN){1|C<3>,2|C<4>,3|H<1>}	117.7140	0.000	1	117.4460	0.664	3	118.8488	4.096	5	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(CH3)(NN)	C(CC[6a]N)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCN)	C(C[6a]C[6a,6a]C[6a])(CH3)(NN)	C(CC[6a]N)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCN){2|H<1>,3|C<3>}	118.8200	2.461	2	118.8200	6.055	2	118.4020	3.552	3	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(CH3)(NN)	C(CC[6a]N)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a,6a]C[6a])(CH3)(NN)	C(CC[6a]N)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCN){2|H<1>,3|C<3>}	117.5660	0.000	1	117.5660	0.000	1	118.4020	3.552	3	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(NC)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCN)	C(C[6a]C[6a]2)(CH3)(NC)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCN){1|H<1>,2|C<3>}	118.6890	0.000	1	118.6890	0.000	1	120.2087	1.441	360	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(NC)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN)	C(C[6a]C[6a]2)(CH3)(NC)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN){1|C<3>,2|H<1>}	118.1643	0.813	3	118.1643	0.661	3	120.2087	1.441	360	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(NC)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(CH3)(NC)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,1|C<4>,1|H<1>}	119.8290	0.605	3	119.9251	1.604	19	120.2087	1.441	360	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(NC)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(CH3)(NC)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,1|H<1>,1|O<2>}	120.8430	0.000	1	119.9251	1.604	19	120.2087	1.441	360	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(NC)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(CH3)(NC)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|C<4>}	119.5325	0.917	2	119.9251	1.604	19	120.2087	1.441	360	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(NC)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(CH3)(NC)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|H<1>}	120.1042	1.597	10	119.9251	1.604	19	120.2087	1.441	360	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(NC)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(CH3)(NC)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|Cl<1>,1|C<3>,1|H<1>}	119.3797	0.990	3	119.9251	1.604	19	120.2087	1.441	360	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(NC)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CH3)(NC)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	118.4910	1.855	2	118.0870	2.211	3	120.2087	1.441	360	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(NC)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CH3)(NC)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(CCN){1|N<2>,2|H<1>}	117.2790	0.000	1	118.0870	2.211	3	120.2087	1.441	360	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(NN)	C(CC[6a]N)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCN)	C(C[6a]C[6a]2)(CH3)(NN)	C(CC[6a]N)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCN){1|C<3>,1|H<1>,1|O<2>}	120.7050	0.000	1	120.7050	0.000	1	120.2087	1.441	360	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(NN)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCN)	C(C[6a]C[6a]2)(CH3)(NN)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCN){1|H<1>,2|C<3>}	120.0145	0.162	2	120.0145	0.026	2	120.2087	1.441	360	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(NN)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CCN)	C(C[6a]C[6a]2)(CH3)(NN)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CCN){2|C<3>}	121.3394	0.947	9	121.3394	0.897	9	120.2087	1.441	360	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(NN)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCN)	C(C[6a]C[6a]2)(CH3)(NN)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCN){1|C<3>,2|H<1>}	120.2170	0.000	1	120.2170	0.000	1	120.2087	1.441	360	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(NN)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCN)	C(C[6a]C[6a]2)(CH3)(NN)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCN){1|C<3>,2|H<1>}	120.5055	1.286	4	120.5055	1.654	4	120.2087	1.441	360	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(NN)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCN)	C(C[6a]C[6a]2)(CH3)(NN)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCN){1|C<3>,2|H<1>}	120.4370	0.040	2	120.4370	0.002	2	120.2087	1.441	360	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(NN)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN)	C(C[6a]C[6a]2)(CH3)(NN)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN){1|C<3>,2|H<1>}	119.5805	1.171	4	119.5805	1.371	4	120.2087	1.441	360	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(NN)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(CH3)(NN)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|Br<1>,1|C<3>,1|H<1>}	120.4348	0.618	5	120.6544	0.417	79	120.2087	1.441	360	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(NN)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(CH3)(NN)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,1|C<4>,1|H<1>}	120.7510	0.457	5	120.6544	0.417	79	120.2087	1.441	360	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(NN)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(CH3)(NN)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,1|H<1>,1|O<2>}	120.9543	1.123	3	120.6544	0.417	79	120.2087	1.441	360	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(NN)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(CH3)(NN)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|H<1>}	120.6949	0.633	61	120.6544	0.417	79	120.2087	1.441	360	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(NN)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(CH3)(NN)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|Cl<1>,1|C<3>,1|H<1>}	120.2302	0.600	4	120.6544	0.417	79	120.2087	1.441	360	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(NN)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(CH3)(NN)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){2|Cl<1>,1|C<3>}	119.5930	0.000	1	120.6544	0.417	79	120.2087	1.441	360	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(NN)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCN)	C(C[6a]C[6a]2)(CH3)(NN)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCN){1|C<3>,1|H<1>}	119.9724	0.805	14	119.9724	0.648	14	120.2087	1.441	360	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(NN)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CH3)(NN)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,1|C<4>,1|H<1>}	119.4650	0.000	1	119.8512	1.206	156	120.2087	1.441	360	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(NN)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CH3)(NN)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,1|F<1>,1|H<1>}	119.2020	0.000	1	119.8512	1.206	156	120.2087	1.441	360	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(NN)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CH3)(NN)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,1|H<1>,1|N<3>}	119.8827	0.587	7	119.8512	1.206	156	120.2087	1.441	360	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(NN)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CH3)(NN)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,1|H<1>,1|O<2>}	120.0375	1.298	4	119.8512	1.206	156	120.2087	1.441	360	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(NN)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CH3)(NN)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	119.8363	1.178	123	119.8512	1.206	156	120.2087	1.441	360	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(NN)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CH3)(NN)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(CCN){1|Cl<1>,1|C<3>,1|H<1>}	120.2477	0.749	8	119.8512	1.206	156	120.2087	1.441	360	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(NN)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CH3)(NN)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(CCN){1|H<1>,2|C<3>}	120.2020	0.403	2	119.8512	1.206	156	120.2087	1.441	360	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(NN)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CH3)(NN)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(CCN){1|N<2>,2|H<1>}	119.6538	0.636	10	119.8512	1.206	156	120.2087	1.441	360	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(NN)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(CCN)	C(C[6a]C[6a]2)(CH3)(NN)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(CCN){1|C<3>,1|H<1>}	123.6255	0.803	6	123.6255	0.645	6	120.2087	1.441	360	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(NN)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]O)2(CCN)	C(C[6a]C[6a]2)(CH3)(NN)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]O)2(CCN){1|C<3>,2|H<1>}	119.6713	3.336	3	119.6713	11.128	3	120.2087	1.441	360	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(NO)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CCN)	C(C[6a]C[6a]2)(CH3)(NO)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CCN){2|C<3>}	121.1080	0.000	1	121.1080	0.000	1	120.2087	1.441	360	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(NO)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCN)	C(C[6a]C[6a]2)(CH3)(NO)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCN){1|H<1>,2|C<3>}	121.5250	0.642	6	121.5250	0.412	6	120.2087	1.441	360	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(NO)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCN)	C(C[6a]C[6a]2)(CH3)(NO)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCN){1|C<3>,1|H<1>,1|O<2>}	119.4690	0.000	1	119.6753	1.276	3	120.2087	1.441	360	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(NO)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCN)	C(C[6a]C[6a]2)(CH3)(NO)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCN){1|C<3>,2|H<1>}	119.7785	1.578	2	119.6753	1.276	3	120.2087	1.441	360	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(NO)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN)	C(C[6a]C[6a]2)(CH3)(NO)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN){1|C<3>,2|H<1>}	120.1350	0.000	1	120.1350	0.000	1	120.2087	1.441	360	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(NO)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(CH3)(NO)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|C<4>}	120.7380	0.000	1	121.0380	0.207	7	120.2087	1.441	360	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(NO)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(CH3)(NO)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|H<1>}	121.0880	0.477	6	121.0380	0.207	7	120.2087	1.441	360	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(NO)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CH3)(NO)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,1|C<4>,1|H<1>}	120.1380	1.027	2	120.5606	0.672	29	120.2087	1.441	360	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(NO)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CH3)(NO)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,1|H<1>,1|N<2>}	120.7578	0.563	4	120.5606	0.672	29	120.2087	1.441	360	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(NO)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CH3)(NO)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	120.6043	0.891	21	120.5606	0.672	29	120.2087	1.441	360	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(NO)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CH3)(NO)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(CCN){1|H<1>,2|C<3>}	120.1290	0.085	2	120.5606	0.672	29	120.2087	1.441	360	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(NPd)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(CH3)(NPd)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|H<1>}	119.9230	0.000	1	119.9230	0.000	1	120.2087	1.441	360	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(NRh)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CH3)(NRh)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	119.5700	0.000	1	119.5700	0.000	1	120.2087	1.441	360	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(NRh)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(CCN)	C(C[6a]C[6a]2)(CH3)(NRh)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(CCN){1|C<3>,2|H<1>}	119.8870	0.000	1	119.8870	0.000	1	120.2087	1.441	360	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(NS)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN)	C(C[6a]C[6a]2)(CH3)(NS)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN){1|C<3>,2|H<1>}	118.1145	0.114	2	118.1145	0.013	2	120.2087	1.441	360	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(NS)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CH3)(NS)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	117.4570	0.000	1	117.4570	0.000	1	120.2087	1.441	360	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-2:	C-3:F-1:F-1:F-1:	C[6a,6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(CF3)(OH)	C(CC[6a]O)(F)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a,6a]C[6a])(CF3)(OH)	C(CC[6a]O)(F)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO){1|H<1>,1|N<3>,3|C<3>}	110.1820	0.000	1	110.1820	0.000	1	110.1820	0.000	1	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-2:	C-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(CH3)(OH)	C(CC[6a]O)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a,6a]C[6a])(CH3)(OH)	C(CC[6a]O)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO){1|H<1>,1|N<3>,3|C<3>}	114.3570	3.683	2	114.3570	13.562	2	117.2320	31.578	3	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-2:	C-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(CH3)(OMg)	C(CC[6a]O)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCO)	C(C[6a]C[6a,6a]C[6a])(CH3)(OMg)	C(CC[6a]O)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCO){2|H<1>,3|C<3>}	122.9820	0.000	1	122.9820	0.000	1	117.2320	31.578	3	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(OAl)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(C[6a]C[6a]2)(CH3)(OAl)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	121.6070	0.021	2	121.6070	0.000	2	121.3417	3.096	29	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(OCo)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(C[6a]C[6a]2)(CH3)(OCo)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	121.1240	0.000	1	121.1240	0.000	1	121.3417	3.096	29	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(OCu)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CH3)(OCu)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	120.5450	0.000	1	120.5450	0.000	1	121.3417	3.096	29	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(OCu)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(C[6a]C[6a]2)(CH3)(OCu)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,1|C<4>,1|H<1>}	120.4360	0.000	1	120.4192	0.158	5	121.3417	3.096	29	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(OCu)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(C[6a]C[6a]2)(CH3)(OCu)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	120.4150	0.459	4	120.4192	0.158	5	121.3417	3.096	29	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(OFe)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(C[6a]C[6a]2)(CH3)(OFe)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	120.6050	0.000	1	120.6050	0.000	1	121.3417	3.096	29	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(OFe)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CH3)(OFe)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	120.7330	0.072	3	120.7330	0.005	3	121.3417	3.096	29	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(OH)	C(CC[6a]O)(H)3	C[6a](C[6a]N[6a]O)2(CCO)	C(C[6a]C[6a]2)(CH3)(OH)	C(CC[6a]O)(H)3	C[6a](C[6a]N[6a]O)2(CCO){1|C<3>,2|C<4>}	125.5930	0.000	1	125.5930	0.000	1	121.3417	3.096	29	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(OIr)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(C[6a]C[6a]2)(CH3)(OIr)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	120.2040	0.000	1	120.2040	0.000	1	121.3417	3.096	29	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(OIr)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CH3)(OIr)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	122.9055	0.619	2	122.9055	0.383	2	121.3417	3.096	29	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(OMn)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(C[6a]C[6a]2)(CH3)(OMn)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	120.2120	0.171	3	120.2120	0.029	3	121.3417	3.096	29	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(OMn)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]Mn)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CH3)(OMn)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]Mn)(C[6a]C[6a]H)(CCO){1|C<3>,1|H<1>,1|O<2>}	123.3610	0.000	1	123.3610	0.000	1	121.3417	3.096	29	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(OOs)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]Os)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CH3)(OOs)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]Os)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	126.6790	0.000	1	126.6790	0.000	1	121.3417	3.096	29	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(OPd)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(C[6a]C[6a]2)(CH3)(OPd)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	120.5175	0.466	2	120.5175	0.217	2	121.3417	3.096	29	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(OPd)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CH3)(OPd)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	124.7280	0.000	1	124.7280	0.000	1	121.3417	3.096	29	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(ORe)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CH3)(ORe)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	120.8310	0.000	1	120.8310	0.000	1	121.3417	3.096	29	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(ORu)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	C(C[6a]C[6a]2)(CH3)(ORu)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,2|H<1>}	120.3810	0.000	1	120.3810	0.000	1	121.3417	3.096	29	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:O-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(ORu)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(C[6a]C[6a]2)(CH3)(ORu)	C(CC[6a]O)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	119.9330	0.105	2	119.9330	0.011	2	121.3417	3.096	29	120.1573	2.225	418	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:2:1:1:	3:3:3:	C[6a]-3:C-4:C-2:	C-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHO)(CC)	C(CC[6a]C)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CHHO)(CC)	C(CC[6a]C)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	118.8560	0.000	1	118.8560	0.000	1	118.8560	0.000	1	120.3649	1.348	8	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:2:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:H-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(NN)	C(CC[6a]N)(HH)(H)2	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CH3)(NN)	C(CC[6a]N)(HH)(H)2	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	122.7930	0.000	1	122.7930	0.000	1	122.7930	0.000	1	120.3649	1.348	8	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:2:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHO)(NO)	C(CC[6a]N)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CHHO)(NO)	C(CC[6a]N)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	120.6450	0.000	1	120.6450	0.000	1	120.6450	0.000	1	120.3649	1.348	8	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:2:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHS)(NN)	C(CC[6a]N)(SC)(H)2	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CHHS)(NN)	C(CC[6a]N)(SC)(H)2	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	120.3940	0.000	1	120.3940	0.000	1	120.1250	0.224	5	120.3649	1.348	8	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:2:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHS)(NN)	C(CC[6a]N)(SS)(H)2	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CHHS)(NN)	C(CC[6a]N)(SS)(H)2	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	119.7235	0.244	2	119.7235	0.060	2	120.1250	0.224	5	120.3649	1.348	8	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:2:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHS)(NO)	C(CC[6a]N)(SC)(H)2	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CHHS)(NO)	C(CC[6a]N)(SC)(H)2	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	120.3920	0.547	2	120.3920	0.300	2	120.1250	0.224	5	120.3649	1.348	8	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:2:4:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHO)(NO)	C(CC[6a]N)(OC[6a])(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CCHO)(NO)	C(CC[6a]N)(OC[6a])(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,1|H<1>,1|O<2>}	122.3040	0.000	1	122.3040	0.000	1	122.3040	0.000	1	122.3040	0.000	1	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:3:1:1:	3:2:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-3:	C(C[6a]C[6a]N[6a])(CC[6a]HH)(NO)	C(C[6a]C[6a]N[6a])(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	C(C[6a]C[6a]N[6a])(CC[6a]HH)(NO)	C(C[6a]C[6a]N[6a])(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|C<3>,2|H<1>}	119.6770	0.433	3	119.6770	0.187	3	119.6770	0.187	3	119.6770	0.187	3	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-2:	C-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(CC)	C(CC[6a]C)(CCH)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CCHH)(CC)	C(CC[6a]C)(CCH)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	118.7460	0.000	1	118.7460	0.000	1	118.7460	0.000	1	119.4470	1.802	38	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-2:	N[5]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CN[5]HH)(CC)	C(N[5]C[5]2)(CC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CN[5]HH)(CC)	C(N[5]C[5]2)(CC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,1|H<1>,1|O<2>}	117.3315	0.429	4	117.1332	0.211	6	117.1332	0.211	6	119.4470	1.802	38	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-2:	N[5]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CN[5]HH)(CC)	C(N[5]C[5]2)(CC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CN[5]HH)(CC)	C(N[5]C[5]2)(CC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	116.7365	0.179	2	117.1332	0.211	6	117.1332	0.211	6	119.4470	1.802	38	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(NN)	C(CC[6a]N)(CCC)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCN)	C(C[6a]C[6a]2)(CCHH)(NN)	C(CC[6a]N)(CCC)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCN){1|H<1>,2|C<3>}	118.8660	0.000	1	118.8660	0.000	1	119.8886	0.831	5	119.4470	1.802	38	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(NN)	C(CC[6a]N)(CCH)(H)2	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CCHH)(NN)	C(CC[6a]N)(CCH)(H)2	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	120.3645	1.138	2	120.3645	1.294	2	119.8886	0.831	5	119.4470	1.802	38	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(NN)	C(CC[6a]N)(CNO)(H)2	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CCHH)(NN)	C(CC[6a]N)(CNO)(H)2	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	119.4100	0.000	1	119.4100	0.000	1	119.8886	0.831	5	119.4470	1.802	38	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(NN)	C(CC[6a]N)(CNS)(H)2	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CCHH)(NN)	C(CC[6a]N)(CNS)(H)2	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	120.4380	0.000	1	120.4380	0.000	1	119.8886	0.831	5	119.4470	1.802	38	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHN)(NN)	C(CC[6a]N)(NN[6]C)(H)2	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CHHN)(NN)	C(CC[6a]N)(NN[6]C)(H)2	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	118.8030	0.000	1	118.8030	0.000	1	119.9173	0.620	7	119.4470	1.802	38	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHN)(NO)	C(CC[6a]N)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CHHN)(NO)	C(CC[6a]N)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	119.6297	0.521	3	119.6297	0.272	3	119.9173	0.620	7	119.4470	1.802	38	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHN)(NO)	C(CC[6a]N)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CHHN)(NO)	C(CC[6a]N)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	120.6770	0.000	1	120.6770	0.000	1	119.9173	0.620	7	119.4470	1.802	38	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHN)(NO)	C(CC[6a]N)(NC[5a]C)(H)2	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CHHN)(NO)	C(CC[6a]N)(NC[5a]C)(H)2	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	120.5260	0.605	2	120.5260	0.366	2	119.9173	0.620	7	119.4470	1.802	38	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]HH)(NC[5a])	C(C[6a]C[6a]2)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CC[6a]HH)(NC[5a])	C(C[6a]C[6a]2)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	120.5840	0.000	1	120.5840	0.000	1	119.4928	1.037	9	119.4470	1.802	38	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]HH)(NC[6a])	C(C[6a]C[5,6a]C[6a])(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CC[6a]HH)(NC[6a])	C(C[6a]C[5,6a]C[6a])(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	119.3450	0.000	1	119.3450	0.000	1	119.4928	1.037	9	119.4470	1.802	38	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]HH)(NC[6a])	C(C[6a]C[6a]2)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CC[6a]HH)(NC[6a])	C(C[6a]C[6a]2)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	118.6810	0.228	2	118.6810	0.052	2	119.4928	1.037	9	119.4470	1.802	38	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]HH)(NN)	C(C[6a]C[6a,6a]C[6a])(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CC[6a]HH)(NN)	C(C[6a]C[6a,6a]C[6a])(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	118.5050	0.000	1	118.5050	0.000	1	119.4928	1.037	9	119.4470	1.802	38	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]HH)(NN)	C(C[6a]C[6a]2)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(CC[6a]HH)(NN)	C(C[6a]C[6a]2)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,1|C<4>,1|H<1>}	120.0875	1.353	2	120.0875	1.830	2	119.4928	1.037	9	119.4470	1.802	38	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]HH)(NN)	C(C[6a]C[6a]2)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CC[6a]HH)(NN)	C(C[6a]C[6a]2)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	118.7100	0.000	1	118.7100	0.000	1	119.4928	1.037	9	119.4470	1.802	38	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]HH)(NO)	C(C[6a]C[6a]2)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CC[6a]HH)(NO)	C(C[6a]C[6a]2)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,1|H<1>,1|O<2>}	120.7540	0.000	1	120.7540	0.000	1	119.4928	1.037	9	119.4470	1.802	38	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	N[5]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CN[5]HH)(NO)	C(N[5]C[5]2)(CC[6a]N)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCN)	C(C[6a]C[6a]2)(CN[5]HH)(NO)	C(N[5]C[5]2)(CC[6a]N)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCN){1|H<1>,2|C<3>}	120.3710	0.000	1	120.3710	0.000	1	120.3710	0.000	1	119.4470	1.802	38	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	N[5a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CN[5a]HH)(NO)	C(N[5a]C[5a,6a]C[5a])(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CN[5a]HH)(NO)	C(N[5a]C[5a,6a]C[5a])(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	120.6940	0.000	1	120.6940	0.000	1	120.6052	0.633	5	119.4470	1.802	38	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	N[5a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CN[5a]HH)(NO)	C(N[5a]C[5a]2)(CC[6a]N)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCN)	C(C[6a]C[6a]2)(CN[5a]HH)(NO)	C(N[5a]C[5a]2)(CC[6a]N)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCN){1|H<1>,2|C<3>}	121.0680	0.000	1	121.0680	0.000	1	120.6052	0.633	5	119.4470	1.802	38	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	N[5a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CN[5a]HH)(NO)	C(N[5a]C[5a]N[5a])(CC[6a]N)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCN)	C(C[6a]C[6a]2)(CN[5a]HH)(NO)	C(N[5a]C[5a]N[5a])(CC[6a]N)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCN){1|Cl<1>,1|C<3>,1|H<1>}	120.1690	0.000	1	120.1690	0.000	1	120.6052	0.633	5	119.4470	1.802	38	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	N[5a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CN[5a]HH)(NO)	C(N[5a]C[5a]N[5a])(CC[6a]N)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCN)	C(C[6a]C[6a]2)(CN[5a]HH)(NO)	C(N[5a]C[5a]N[5a])(CC[6a]N)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCN){1|C<3>,2|H<1>}	119.5200	0.000	1	119.5200	0.000	1	120.6052	0.633	5	119.4470	1.802	38	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	N[5a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CN[5a]HH)(NO)	C(N[5a]C[5a]N[5a])(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CN[5a]HH)(NO)	C(N[5a]C[5a]N[5a])(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CCN){1|Cl<1>,1|C<3>,1|H<1>}	121.5750	0.000	1	121.5750	0.000	1	120.6052	0.633	5	119.4470	1.802	38	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	N[6]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CN[6]HH)(NN[5a])	C(N[6]C[6]2)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCN)	C(C[6a]C[6a]2)(CN[6]HH)(NN[5a])	C(N[6]C[6]2)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCN){1|C<3>,2|H<1>}	119.0650	0.000	1	119.0650	0.000	1	120.2897	1.289	3	119.4470	1.802	38	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	N[6]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CN[6]HH)(NN[5a])	C(N[6]C[6]2)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CN[6]HH)(NN[5a])	C(N[6]C[6]2)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	120.9020	0.573	2	120.9020	0.328	2	120.2897	1.289	3	119.4470	1.802	38	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:O-2:	C-3:O-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHO)(OCa)	C(CC[6a]O)(OCaH)(H)2	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CHHO)(OCa)	C(CC[6a]O)(OCaH)(H)2	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.8770	0.000	1	118.8770	0.000	1	118.8770	0.000	1	119.4470	1.802	38	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:3:2:1:	3:2:3:	C[6a]-3:C-4:C-2:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:N[6a]-2:C-3:	C(C[6a]C[6a]N[6a])(CC[6a]HO)(CC[6])	C(C[6a]C[6a]2)(CC[6a]C)(OH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC)	C(C[6a]C[6a]N[6a])(CC[6a]HO)(CC[6])	C(C[6a]C[6a]2)(CC[6a]C)(OH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC){1|C<3>,2|H<1>}	116.7130	0.000	1	116.7130	0.000	1	116.7130	0.000	1	116.7130	0.000	1	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:3:2:1:	3:3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]HO)(NN)	C(C[6a]C[6a]2)(CC[6a]N)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CC[6a]HO)(NN)	C(C[6a]C[6a]2)(CC[6a]N)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	119.3535	0.627	4	119.3535	0.393	4	119.3535	0.393	4	119.3535	0.393	4	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:C-2:	C-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHN)(CC)	C(CC[6a]C)(CC[6a]O)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CCHN)(CC)	C(CC[6a]C)(CC[6a]O)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	119.4850	0.000	1	119.4850	0.000	1	119.4850	0.000	1	119.0395	0.397	2	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:C-2:	C-3:N-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHN)(CC)	C(CC[6a]C)(NC[6a]C)(CN[6]O)(H)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CCHN)(CC)	C(CC[6a]C)(NC[6a]C)(CN[6]O)(H)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	118.5940	0.000	1	118.5940	0.000	1	118.5940	0.000	1	119.0395	0.397	2	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:3:3:2:	3:3:3:	C[6a]-3:C-4:C-2:	C-3:C-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCCO)(CC)	C(CC[6a]C)(CCH)(COO)(OH)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CCCO)(CC)	C(CC[6a]C)(CCH)(COO)(OH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	118.4120	0.000	1	118.4120	0.000	1	118.4120	0.000	1	120.6253	3.841	3	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:3:3:2:	3:3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]2O)(NC[6a])	C(C[6a]C[6a]2)2(CC[6a]N)(OH)	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CC[6a]2O)(NC[6a])	C(C[6a]C[6a]2)2(CC[6a]N)(OH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	121.7320	0.577	2	121.7320	0.333	2	121.7320	0.333	2	120.6253	3.841	3	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:C-3:C-4:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CClCC)(NTi)	C(CC[6a]N)2(CH3)(Cl)	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CClCC)(NTi)	C(CC[6a]N)2(CH3)(Cl)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	120.5885	0.234	2	120.5885	0.055	2	120.5885	0.055	2	117.4735	5.089	13	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:N-2:	C[5a]-3:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5a]CH)(NN)	C(C[5a]C[5a]S[5a])(CC[6a]N)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CC[5a]CH)(NN)	C(C[5a]C[5a]S[5a])(CC[6a]N)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	117.0910	0.000	1	117.0910	0.000	1	117.0910	0.000	1	117.4735	5.089	13	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:N-2:	C[6]-3:C-3:P-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6]HP)(NRe)	C(C[6]C[6]N[6])(CC[6a]N)(PReCC)(H)	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CC[6]HP)(NRe)	C(C[6]C[6]N[6])(CC[6a]N)(PReCC)(H)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	116.4340	0.000	1	116.4340	0.000	1	116.4340	0.000	1	117.4735	5.089	13	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]CH)(NN)	C(C[6a]C[6a]2)(CC[6a]N)(CSeHH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCN)	C(C[6a]C[6a]2)(CC[6a]CH)(NN)	C(C[6a]C[6a]2)(CC[6a]N)(CSeHH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCN){1|C<3>,2|H<1>}	116.4310	0.000	1	116.4310	0.000	1	116.2570	0.612	8	117.4735	5.089	13	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]CH)(NN)	C(C[6a]C[6a]2)(CC[6a]N)(CSeHH)(H)	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CC[6a]CH)(NN)	C(C[6a]C[6a]2)(CC[6a]N)(CSeHH)(H)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	116.8670	0.000	1	116.8670	0.000	1	116.2570	0.612	8	117.4735	5.089	13	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]CH)(NO)	C(C[6a]C[6a]2)(CC[6a]N)(CBr3)(H)	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CC[6a]CH)(NO)	C(C[6a]C[6a]2)(CC[6a]N)(CBr3)(H)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	115.2960	0.000	1	115.2960	0.000	1	116.2570	0.612	8	117.4735	5.089	13	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]CH)(NO)	C(C[6a]C[6a]2)(CC[6a]N)(CCl3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCN)	C(C[6a]C[6a]2)(CC[6a]CH)(NO)	C(C[6a]C[6a]2)(CC[6a]N)(CCl3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCN){1|C<3>,1|C<4>,1|H<1>}	116.0140	0.000	1	116.0140	0.000	1	116.2570	0.612	8	117.4735	5.089	13	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]CH)(NO)	C(C[6a]C[6a]2)(CC[6a]N)(CCl3)(H)	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CC[6a]CH)(NO)	C(C[6a]C[6a]2)(CC[6a]N)(CCl3)(H)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	116.6190	0.000	1	116.6190	0.000	1	116.2570	0.612	8	117.4735	5.089	13	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]CH)(NO)	C(C[6a]C[6a]2)(CC[6a]N)(CF3)(H)	C[6a](C[6a]C[6a]C)2(CCN)	C(C[6a]C[6a]2)(CC[6a]CH)(NO)	C(C[6a]C[6a]2)(CC[6a]N)(CF3)(H)	C[6a](C[6a]C[6a]C)2(CCN){1|C<3>,2|C<4>}	115.7700	1.109	2	115.7700	1.229	2	116.2570	0.612	8	117.4735	5.089	13	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:N-2:	C[6a]-3:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]CH)(NO)	C(C[6a]C[6a]2)(CC[6a]N)(CF3)(H)	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CC[6a]CH)(NO)	C(C[6a]C[6a]2)(CC[6a]N)(CF3)(H)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	117.2890	0.000	1	117.2890	0.000	1	116.2570	0.612	8	117.4735	5.089	13	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:O-2:	C[6a]-3:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]CH)(ORu)	C(C[6a]C[6a]2)(CC[6a]O)(CRuCH)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]CH)(ORu)	C(C[6a]C[6a]2)(CC[6a]O)(CRuCH)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	122.3980	0.000	1	122.3980	0.000	1	122.3980	0.000	1	117.4735	5.089	13	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:4:1:1:	2:3:3:	C[6a]-3:C-4:N-2:	C-3:C-4:H-1:H-1:	N[6a]-2:C[6a]-3:C-3:	C(C[6a]C[6a]N[6a])(CCHH)(NN)	C(CC[6a]N)(CH3)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CCN)	C(C[6a]C[6a]N[6a])(CCHH)(NN)	C(CC[6a]N)(CH3)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CCN){2|C<3>}	119.3720	0.000	1	119.3720	0.000	1	119.3720	0.000	1	119.3720	0.000	1	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-2:	C-3:C-4:F-1:F-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCFF)(CC)	C(CC[6a]C)(CF3)(F)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CCFF)(CC)	C(CC[6a]C)(CF3)(F)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	122.5940	0.000	1	122.5940	0.000	1	122.5940	0.000	1	120.1988	3.948	31	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-2:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(CC)	C(CC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a]2)(CCHH)(CC)	C(CC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|C<3>,1|F<1>,1|H<1>}	118.1470	0.000	1	118.1470	0.000	1	118.1470	0.000	1	120.1988	3.948	31	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(NC)	C(CC[6a]N)(CC3)(H)2	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CCHH)(NC)	C(CC[6a]N)(CC3)(H)2	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	120.2490	0.247	3	120.2490	0.061	3	119.8807	3.245	25	120.1988	3.948	31	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(NC)	C(CC[6a]N)(CH3)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CCN)	C(C[6a]C[6a]2)(CCHH)(NC)	C(CC[6a]N)(CH3)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CCN){1|C<3>,1|H<1>,1|O<2>}	115.2250	0.000	1	115.2250	0.000	1	119.8807	3.245	25	120.1988	3.948	31	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(NC)	C(CC[6a]N)(CH3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(CCHH)(NC)	C(CC[6a]N)(CH3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCN){1|C<3>,1|H<1>,1|O<2>}	114.3230	0.000	1	114.3230	0.000	1	119.8807	3.245	25	120.1988	3.948	31	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(NC)	C(CC[6a]N)(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(CCHH)(NC)	C(CC[6a]N)(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|H<1>}	119.3300	0.346	2	119.3300	0.120	2	119.8807	3.245	25	120.1988	3.948	31	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(NN)	C(CC[6a]N)(CCCH)(H)2	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CCHH)(NN)	C(CC[6a]N)(CCCH)(H)2	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	119.4260	0.325	2	119.4260	0.106	2	119.8807	3.245	25	120.1988	3.948	31	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(NN)	C(CC[6a]N)(CCHH)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCN)	C(C[6a]C[6a]2)(CCHH)(NN)	C(CC[6a]N)(CCHH)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCN){1|C<3>,1|C<4>,1|H<1>}	119.7970	0.000	1	119.7970	0.000	1	119.8807	3.245	25	120.1988	3.948	31	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(NN)	C(CC[6a]N)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CCHH)(NN)	C(CC[6a]N)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	120.5800	0.000	1	120.5800	0.000	1	119.8807	3.245	25	120.1988	3.948	31	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(NN)	C(CC[6a]N)(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(CCHH)(NN)	C(CC[6a]N)(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|H<1>}	120.4220	0.000	1	120.8832	0.538	5	119.8807	3.245	25	120.1988	3.948	31	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(NN)	C(CC[6a]N)(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(CCHH)(NN)	C(CC[6a]N)(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|Cl<1>,1|C<3>,1|H<1>}	121.0945	0.972	2	120.8832	0.538	5	119.8807	3.245	25	120.1988	3.948	31	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(NN)	C(CC[6a]N)(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(CCHH)(NN)	C(CC[6a]N)(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){2|Cl<1>,1|C<3>}	120.9025	0.951	2	120.8832	0.538	5	119.8807	3.245	25	120.1988	3.948	31	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(NN)	C(CC[6a]N)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CCHH)(NN)	C(CC[6a]N)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	119.6150	0.461	2	119.6150	0.213	2	119.8807	3.245	25	120.1988	3.948	31	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(NO)	C(CC[6a]N)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CCHH)(NO)	C(CC[6a]N)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	120.6940	0.417	2	120.6940	0.174	2	119.8807	3.245	25	120.1988	3.948	31	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(NO)	C(CC[6a]N)(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(CCHH)(NO)	C(CC[6a]N)(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|H<1>}	121.5140	0.137	2	121.5140	0.019	2	119.8807	3.245	25	120.1988	3.948	31	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(NO)	C(CC[6a]N)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CCHH)(NO)	C(CC[6a]N)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(CCN){1|N<2>,2|H<1>}	121.3870	0.761	2	121.3870	0.579	2	119.8807	3.245	25	120.1988	3.948	31	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(NS)	C(CC[6a]N)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CCHH)(NS)	C(CC[6a]N)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	117.9980	0.000	1	117.9980	0.000	1	119.8807	3.245	25	120.1988	3.948	31	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:S-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHS)(NN)	C(CC[6a]N)(SCOO)(H)2	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CHHS)(NN)	C(CC[6a]N)(SCOO)(H)2	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	121.6930	0.000	1	121.6930	0.000	1	121.6930	0.000	1	120.1988	3.948	31	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-2:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(OH)	C(CC[6a]O)(CH3)(H)2	C[6a](C[6a]N[6a]O)2(CCO)	C(C[6a]C[6a]2)(CCHH)(OH)	C(CC[6a]O)(CH3)(H)2	C[6a](C[6a]N[6a]O)2(CCO){1|C<3>,2|C<4>}	125.0750	0.000	1	125.0750	0.000	1	122.2367	6.702	3	120.1988	3.948	31	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-2:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(OPd)	C(CC[6a]O)(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(C[6a]C[6a]2)(CCHH)(OPd)	C(CC[6a]O)(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	120.8175	1.149	2	120.8175	1.320	2	122.2367	6.702	3	120.1988	3.948	31	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:4:3:1:	3:3:3:	C[6a]-3:C-4:C-2:	C-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHN)(CC)	C(CC[6a]C)(CH3)(NSS)(H)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CCHN)(CC)	C(CC[6a]C)(CH3)(NSS)(H)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	121.0080	0.000	1	121.0080	0.000	1	121.0080	0.000	1	121.0080	0.000	1	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:4:3:3:	3:3:3:	C[6a]-3:C-4:O-2:	C-3:C-4:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC3)(OIr)	C(CC[6a]O)(CIrCH)(CCC)(COO)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC3)(OIr)	C(CC[6a]O)(CIrCH)(CCC)(COO)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	126.1520	0.000	1	126.1520	0.000	1	126.1520	0.000	1	126.1520	0.000	1	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCCH)(NN)	C(CC[6a]N)(CCHH)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN)	C(C[6a]C[6a]2)(CCCH)(NN)	C(CC[6a]N)(CCHH)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN){1|C<3>,2|H<1>}	119.3140	0.000	1	119.3140	0.000	1	119.3752	3.483	4	118.0962	10.792	5	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCCH)(NN)	C(CC[6a]N)(CH3)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCN)	C(C[6a]C[6a]2)(CCCH)(NN)	C(CC[6a]N)(CH3)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCN){1|C<3>,2|H<1>}	117.6030	0.000	1	117.6030	0.000	1	119.3752	3.483	4	118.0962	10.792	5	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCCH)(NN)	C(CC[6a]N)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(CCCH)(NN)	C(CC[6a]N)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,1|C<4>,1|H<1>}	118.6150	0.000	1	118.6150	0.000	1	119.3752	3.483	4	118.0962	10.792	5	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCCH)(NO)	C(CC[6a]N)(CH3)2(H)	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CCCH)(NO)	C(CC[6a]N)(CH3)2(H)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	121.9690	0.000	1	121.9690	0.000	1	119.3752	3.483	4	118.0962	10.792	5	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:O-2:	C-3:C-4:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(CCCH)(OH)	C(CC[6a]O)(CH3)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a,6a]C[6a])(CCCH)(OH)	C(CC[6a]O)(CH3)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO){1|H<1>,1|N<3>,3|C<3>}	112.9800	0.000	1	112.9800	0.000	1	112.9800	0.000	1	118.0962	10.792	5	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:4:4:2:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:C-4:C-4:C-2:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC3)(NN)	C(CC[6a]N)(CCHH)(CH3)(CC)	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CC3)(NN)	C(CC[6a]N)(CCHH)(CH3)(CC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	120.1060	0.000	1	120.1060	0.000	1	120.1060	0.000	1	119.9585	0.044	2	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:4:4:2:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:C-4:C-4:S-2:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCCS)(NN)	C(CC[6a]N)(CH3)2(SC)	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CCCS)(NN)	C(CC[6a]N)(CH3)2(SC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	119.8110	0.000	1	119.8110	0.000	1	119.8110	0.000	1	119.9585	0.044	2	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:4:4:3:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:C-4:C-4:N-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCCN)(NO)	C(CC[6a]N)(CH3)2(NHO)	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CCCN)(NO)	C(CC[6a]N)(CH3)2(NHO)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	118.6710	0.000	1	118.6710	0.000	1	118.6710	0.000	1	118.6710	0.000	1	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:4:4:4:	3:2:3:	C[6a]-3:C-4:C-2:	C-3:C-4:C-4:C-4:	C[6a]-3:N[6a]-2:C-3:	C(C[6a]C[6a]N[6a])(CC3)(CC)	C(CC[6a]C)(CH3)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC)	C(C[6a]C[6a]N[6a])(CC3)(CC)	C(CC[6a]C)(CH3)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC){1|C<3>,1|C<4>,1|H<1>}	121.9585	0.436	2	121.9585	0.190	2	121.9585	0.190	2	121.9585	0.190	2	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:4:4:4:	3:3:3:	C[6a]-3:C-4:C-2:	C-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC3)(CC)	C(CC[6a]C)(CH3)3	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC3)(CC)	C(CC[6a]C)(CH3)3	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	122.9645	0.936	2	122.9645	0.875	2	122.9645	0.875	2	120.7475	11.106	18	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:4:4:4:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC3)(NC)	C(CC[6a]N)(CH3)3	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCN)	C(C[6a]C[6a]2)(CC3)(NC)	C(CC[6a]N)(CH3)3	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCN){1|C<3>,2|H<1>}	116.7980	0.000	1	116.7980	0.000	1	118.2786	1.020	8	120.7475	11.106	18	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:4:4:4:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC3)(NC)	C(CC[6a]N)(CH3)3	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CC3)(NC)	C(CC[6a]N)(CH3)3	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	117.4590	0.327	2	117.4590	0.107	2	118.2786	1.020	8	120.7475	11.106	18	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:4:4:4:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC3)(NS)	C(CC[6a]N)(CH3)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN)	C(C[6a]C[6a]2)(CC3)(NS)	C(CC[6a]N)(CH3)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN){1|Cl<1>,1|C<3>,1|H<1>}	118.9026	0.623	5	118.9026	0.388	5	118.2786	1.020	8	120.7475	11.106	18	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:4:4:4:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:C-4:C-4:N-4:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCCN)(NO)	C(CC[6a]N)(CH3)2(NH3)	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CCCN)(NO)	C(CC[6a]N)(CH3)2(NH3)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	117.9255	1.275	2	117.9255	1.625	2	117.9255	1.625	2	120.7475	11.106	18	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:4:4:4:	3:3:3:	C[6a]-3:C-4:N-2:	C-3:S-4:C-4:C-4:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCCS)(NN)	C(CC[6a]N)(SCOO)(CH3)2	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CCCS)(NN)	C(CC[6a]N)(SCOO)(CH3)2	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	119.8170	0.000	1	119.8170	0.000	1	119.8170	0.000	1	120.7475	11.106	18	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:4:4:4:	3:3:3:	C[6a]-3:C-4:O-2:	C-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC3)(ORu)	C(CC[6a]O)(CH3)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	C(C[6a]C[6a]2)(CC3)(ORu)	C(CC[6a]O)(CH3)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,1|C<4>,1|H<1>}	123.7970	0.000	1	123.6010	0.077	2	125.1258	1.980	5	120.7475	11.106	18	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:4:4:4:	3:3:3:	C[6a]-3:C-4:O-2:	C-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC3)(ORu)	C(CC[6a]O)(CH3)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	C(C[6a]C[6a]2)(CC3)(ORu)	C(CC[6a]O)(CH3)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,2|H<1>}	123.4050	0.000	1	123.6010	0.077	2	125.1258	1.980	5	120.7475	11.106	18	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	3:4:4:4:	3:3:3:	C[6a]-3:C-4:O-2:	C-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC3)(ORu)	C(CC[6a]O)(CH3)3	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CC3)(ORu)	C(CC[6a]O)(CH3)3	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	126.1423	0.216	3	126.1423	0.047	3	125.1258	1.980	5	120.7475	11.106	18	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(NN)	C(CC[5a]CH)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CCHH)(NN)	C(CC[5a]CH)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	119.6530	0.000	1	119.6530	0.000	1	120.9204	2.619	16	120.7062	2.188	27	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(NN)	C(CC[5a]C[6a]H)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CCHH)(NN)	C(CC[5a]C[6a]H)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	119.9430	0.000	1	119.9430	0.000	1	120.9204	2.619	16	120.7062	2.188	27	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(NN)	C(CC[6a]CH)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(CCHH)(NN)	C(CC[6a]CH)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|H<1>}	123.3145	0.680	2	123.3145	0.462	2	120.9204	2.619	16	120.7062	2.188	27	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(NN)	C(CC[6a]CH)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CCHH)(NN)	C(CC[6a]CH)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	121.0375	0.645	4	121.0375	0.416	4	120.9204	2.619	16	120.7062	2.188	27	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(NN)	C(CC[6a]HO)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CCHH)(NN)	C(CC[6a]HO)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	120.6930	0.000	1	120.6930	0.000	1	120.9204	2.619	16	120.7062	2.188	27	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(NN)	C(CC[6a]HS)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CCHH)(NN)	C(CC[6a]HS)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	118.4780	0.000	1	118.4780	0.000	1	120.9204	2.619	16	120.7062	2.188	27	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(NN)	C(CN[5a]HH)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CCHH)(NN)	C(CN[5a]HH)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	120.0840	0.177	2	120.0840	0.031	2	120.9204	2.619	16	120.7062	2.188	27	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(NO)	C(CC[6a]CO)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(CCHH)(NO)	C(CC[6a]CO)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|Br<1>,1|C<3>,1|H<1>}	123.5840	0.000	1	123.5840	0.000	1	120.9204	2.619	16	120.7062	2.188	27	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(NO)	C(CN[4]CH)(CC[6a]N)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCN)	C(C[6a]C[6a]2)(CCHH)(NO)	C(CN[4]CH)(CC[6a]N)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCN){1|H<1>,2|C<3>}	122.3930	0.000	1	122.3930	0.000	1	120.9204	2.619	16	120.7062	2.188	27	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(NO)	C(CN[5a]HH)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CCHH)(NO)	C(CN[5a]HH)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	120.7110	0.000	1	120.7110	0.000	1	120.9204	2.619	16	120.7062	2.188	27	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(NS)	C(CC[6a]HO)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CCHH)(NS)	C(CC[6a]HO)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	118.3250	0.000	1	118.3250	0.000	1	120.9204	2.619	16	120.7062	2.188	27	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C[5]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5]HH)(NC[6a])	C(C[5]C[5,6a]N[5]H)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(CC[5]HH)(NC[6a])	C(C[5]C[5,6a]N[5]H)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|H<1>}	122.2930	0.000	1	122.2930	0.000	1	120.5796	1.622	7	120.7062	2.188	27	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C[5]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5]HH)(NC[6a])	C(C[5]C[5,6a]N[5]H)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CC[5]HH)(NC[6a])	C(C[5]C[5,6a]N[5]H)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	121.1785	0.083	2	121.1785	0.007	2	120.5796	1.622	7	120.7062	2.188	27	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C[5]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5]HH)(NC[6a])	C(C[5]N[5]2C)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CC[5]HH)(NC[6a])	C(C[5]N[5]2C)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	119.2210	0.000	1	119.2210	0.000	1	120.5796	1.622	7	120.7062	2.188	27	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C[5]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5]HH)(NC[6a])	C(C[5]N[5]O[5]C)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CC[5]HH)(NC[6a])	C(C[5]N[5]O[5]C)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	119.0070	0.000	1	119.0070	0.000	1	120.5796	1.622	7	120.7062	2.188	27	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C[5]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5]HH)(NN)	C(C[5]O[5]2C)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CC[5]HH)(NN)	C(C[5]O[5]2C)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	119.6530	0.000	1	119.6530	0.000	1	120.5796	1.622	7	120.7062	2.188	27	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C[5]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5]HH)(NO)	C(C[5]C[5,6a]O[5]H)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CC[5]HH)(NO)	C(C[5]C[5,6a]O[5]H)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	121.5260	0.000	1	121.5260	0.000	1	120.5796	1.622	7	120.7062	2.188	27	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	C[6]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6]HH)(NN)	C(C[6]C[6]2H)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CC[6]HH)(NN)	C(C[6]C[6]2H)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	118.9390	0.000	2	118.9390	0.000	2	118.9390	0.000	2	120.7062	2.188	27	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:N-2:	S-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHS)(NO)	C(SC[6a]OO)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CHHS)(NO)	C(SC[6a]OO)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	121.2030	0.536	2	121.2030	0.287	2	121.2030	0.287	2	120.7062	2.188	27	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:2:	4:3:4:4:	3:3:3:	C[6a]-3:C-4:N-2:	C-4:C-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC3)(NTi)	C(CC[5]CC)(CC[6a]N)(CH3)2	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CC3)(NTi)	C(CC[5]CC)(CC[6a]N)(CH3)2	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	122.2600	0.000	1	122.2600	0.000	1	122.2600	0.000	1	122.2600	0.000	1	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:1:1:1:	2:3:3:	C[6a]-3:C-4:C-3:	C-3:H-1:H-1:H-1:	S[6a]-2:C[6a]-3:C-3:	C(C[6a]C[6a]S[6a])(CH3)(CHH)	C(CC[6a]C)(H)3	C[6a](S[6a]C[6a,6a])(C[6a]C[6a]C)(CCC)	C(C[6a]C[6a]S[6a])(CH3)(CHH)	C(CC[6a]C)(H)3	C[6a](S[6a]C[6a,6a])(C[6a]C[6a]C)(CCC){1|O<1>,2|C<3>}	118.6880	0.000	1	118.6880	0.000	1	118.6880	0.000	1	118.6880	0.000	1	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:1:1:1:	3:2:3:	C[6a]-3:C-4:C-3:	C-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-3:	C(C[6a]C[6a]N[6a])(CH3)(CCO)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC)	C(C[6a]C[6a]N[6a])(CH3)(CCO)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC){1|C<3>,2|H<1>}	116.9920	0.000	1	116.9920	0.000	1	116.9920	0.000	1	120.3491	13.052	7	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:1:1:1:	3:2:3:	C[6a]-3:C-4:C-3:	C-3:H-1:H-1:H-1:	C[6a]-3:O[6a]-2:C-3:	C(C[6a]C[6a]O[6a])(CH3)(CCH)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CCC)	C(C[6a]C[6a]O[6a])(CH3)(CCH)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CCC){1|C<3>,1|O<1>,1|O<2>}	116.2770	0.000	1	116.2770	0.000	1	116.2820	0.000	2	120.3491	13.052	7	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:1:1:1:	3:2:3:	C[6a]-3:C-4:C-3:	C-3:H-1:H-1:H-1:	C[6a]-3:O[6a]-2:C-3:	C(C[6a]C[6a]O[6a])(CH3)(CHH)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a,6a]I)(O[6a]C[6a])(CCC)	C(C[6a]C[6a]O[6a])(CH3)(CHH)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a,6a]I)(O[6a]C[6a])(CCC){1|O<1>,2|C<3>}	116.2870	0.000	1	116.2870	0.000	1	116.2820	0.000	2	120.3491	13.052	7	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:1:1:1:	3:2:3:	C[6a]-3:C-4:N-3:	C-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-3:	C(C[6a]C[6a]N[6a])(CH3)(NHN)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	C(C[6a]C[6a]N[6a])(CH3)(NHN)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|C<3>,2|H<1>}	123.2220	0.562	4	123.2220	0.316	4	123.2220	0.316	4	120.3491	13.052	7	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:Br-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CBrHH)(CBrF)	C(CC[6a]C)(Br)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CBrHH)(CBrF)	C(CC[6a]C)(Br)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	118.8810	0.000	1	118.8810	0.000	1	118.1257	1.022	4	117.1940	6.036	72	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:Br-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CBrHH)(CCH)	C(CC[6a]C)(Br)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CBrHH)(CCH)	C(CC[6a]C)(Br)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	117.8740	1.074	3	117.8740	1.153	3	118.1257	1.022	4	117.1940	6.036	72	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:Cl-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CClHH)(CCH)	C(CC[6a]C)(Cl)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a]2)(CClHH)(CCH)	C(CC[6a]C)(Cl)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCC){1|C<3>,2|H<1>}	116.5190	0.000	1	116.5190	0.000	1	117.5342	0.639	5	117.1940	6.036	72	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:Cl-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CClHH)(CCl2)	C(CC[6a]C)(Cl)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CClHH)(CCl2)	C(CC[6a]C)(Cl)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	117.7880	0.650	4	117.7880	0.422	4	117.5342	0.639	5	117.1940	6.036	72	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CF3)(CCH)	C(CC[6a]C)(F)3	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CF3)(CCH)	C(CC[6a]C)(F)3	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	114.8220	0.287	2	114.8220	0.082	2	114.8970	0.058	3	117.1940	6.036	72	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CF3)(CHN)	C(CC[6a]C)(F)3	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CF3)(CHN)	C(CC[6a]C)(F)3	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,1|H<1>,1|O<2>}	115.0470	0.000	1	115.0470	0.000	1	114.8970	0.058	3	117.1940	6.036	72	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-3:	C(C[6a]C[5,6a]C[6a])(CH3)(CCH)	C(CC[6a]C)(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(CCC)	C(C[6a]C[5,6a]C[6a])(CH3)(CCH)	C(CC[6a]C)(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(CCC){1|O<2>,2|H<1>,3|C<3>}	116.0240	0.000	1	116.0240	0.000	1	117.9387	1.877	4	117.1940	6.036	72	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-3:	C(C[6a]C[5,6a]C[6a])(CH3)(CHH)	C(CC[6a]C)(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(CCC)	C(C[6a]C[5,6a]C[6a])(CH3)(CHH)	C(CC[6a]C)(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(CCC){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	118.7885	0.688	2	118.7885	0.473	2	117.9387	1.877	4	117.1940	6.036	72	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-3:	C(C[6a]C[5,6a]C[6a])(CH3)(CHH)	C(CC[6a]C)(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CCC)	C(C[6a]C[5,6a]C[6a])(CH3)(CHH)	C(CC[6a]C)(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CCC){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	118.1540	0.000	1	118.1540	0.000	1	117.9387	1.877	4	117.1940	6.036	72	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-3:	C(C[6a]C[5a,6a]C[6a])(CH3)(CCH)	C(CC[6a]C)(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCC)	C(C[6a]C[5a,6a]C[6a])(CH3)(CCH)	C(CC[6a]C)(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCC){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	115.4193	0.022	3	115.5995	0.130	4	115.5995	0.130	4	117.1940	6.036	72	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-3:	C(C[6a]C[5a,6a]C[6a])(CH3)(CCH)	C(CC[6a]C)(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCC)	C(C[6a]C[5a,6a]C[6a])(CH3)(CCH)	C(CC[6a]C)(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCC){1|O<2>,2|C<3>,2|H<1>}	116.1400	0.000	1	115.5995	0.130	4	115.5995	0.130	4	117.1940	6.036	72	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(CH3)(CCH)	C(CC[6a]C)(H)3	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a,6a]C[6a])(CH3)(CCH)	C(CC[6a]C)(H)3	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCC){2|H<1>,3|C<3>}	119.8275	1.092	2	119.8275	1.194	2	119.8275	1.194	2	117.1940	6.036	72	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(CCC)	C(CC[6a]C)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a]2)(CH3)(CCC)	C(CC[6a]C)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCC){1|C<3>,1|C<4>,1|H<1>}	118.2570	0.000	1	118.2570	0.000	1	116.9092	2.588	41	117.1940	6.036	72	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(CCC)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a]2)(CH3)(CCC)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCC){2|H<1>,3|C<3>}	114.3105	0.552	2	114.3105	0.305	2	116.9092	2.588	41	117.1940	6.036	72	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(CCC)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CH3)(CCC)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,1|H<1>,1|N<3>}	118.7980	0.000	1	116.8953	7.136	4	116.9092	2.588	41	117.1940	6.036	72	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(CCC)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CH3)(CCC)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	116.2610	2.879	3	116.8953	7.136	4	116.9092	2.588	41	117.1940	6.036	72	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(CCH)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a]2)(CH3)(CCH)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCC){1|H<1>,1|O<2>,3|C<3>}	117.4770	0.000	1	118.0205	0.591	2	116.9092	2.588	41	117.1940	6.036	72	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(CCH)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a]2)(CH3)(CCH)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCC){2|H<1>,3|C<3>}	118.5640	0.000	1	118.0205	0.591	2	116.9092	2.588	41	117.1940	6.036	72	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(CCH)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]C)2(CCC)	C(C[6a]C[6a]2)(CH3)(CCH)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]C)2(CCC){1|C<3>,2|H<1>}	119.2380	0.000	1	119.2380	0.000	1	116.9092	2.588	41	117.1940	6.036	72	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(CCH)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(CCC)	C(C[6a]C[6a]2)(CH3)(CCH)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(CCC){1|C<3>,2|O<2>}	116.2420	0.000	1	116.2420	0.000	1	116.9092	2.588	41	117.1940	6.036	72	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(CCH)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCC)	C(C[6a]C[6a]2)(CH3)(CCH)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCC){1|Br<1>,1|C<3>,1|H<1>}	115.1630	0.000	1	115.4880	0.065	4	116.9092	2.588	41	117.1940	6.036	72	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(CCH)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCC)	C(C[6a]C[6a]2)(CH3)(CCH)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCC){1|C<3>,2|H<1>}	115.5963	0.166	3	115.4880	0.065	4	116.9092	2.588	41	117.1940	6.036	72	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(CCH)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC)	C(C[6a]C[6a]2)(CH3)(CCH)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC){1|C<3>,2|H<1>}	116.3937	1.083	3	116.3937	1.172	3	116.9092	2.588	41	117.1940	6.036	72	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(CCH)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCC)	C(C[6a]C[6a]2)(CH3)(CCH)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCC){1|C<3>,1|H<1>}	116.6790	0.000	1	116.6790	0.000	1	116.9092	2.588	41	117.1940	6.036	72	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(CCH)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CH3)(CCH)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	117.0557	0.993	6	117.0557	0.987	6	116.9092	2.588	41	117.1940	6.036	72	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(CCO)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CH3)(CCO)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	117.7030	0.160	2	117.7030	0.026	2	116.9092	2.588	41	117.1940	6.036	72	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(CCS)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CH3)(CCS)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	115.0260	0.000	1	115.0260	0.000	1	116.9092	2.588	41	117.1940	6.036	72	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(CHH)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a]2)(CH3)(CHH)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|C<3>,2|H<1>}	118.0778	2.273	4	117.9314	3.983	5	116.9092	2.588	41	117.1940	6.036	72	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(CHH)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a]2)(CH3)(CHH)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|H<1>,2|C<3>}	117.3460	0.000	1	117.9314	3.983	5	116.9092	2.588	41	117.1940	6.036	72	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(CHH)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CH3)(CHH)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|C<4>}	115.2910	0.000	1	116.4340	2.613	2	116.9092	2.588	41	117.1940	6.036	72	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(CHH)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CH3)(CHH)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	117.5770	0.000	1	116.4340	2.613	2	116.9092	2.588	41	117.1940	6.036	72	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(CHN)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CH3)(CHN)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	117.2483	0.142	3	117.2483	0.020	3	116.9092	2.588	41	117.1940	6.036	72	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(CHP)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CH3)(CHP)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	114.8400	0.000	1	114.8400	0.000	1	116.9092	2.588	41	117.1940	6.036	72	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(COO)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]F)2(CCC)	C(C[6a]C[6a]2)(CH3)(COO)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]F)2(CCC){1|C<3>,2|F<1>}	118.8050	0.368	2	118.8050	0.135	2	116.9092	2.588	41	117.1940	6.036	72	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:H-1:H-1:H-1:	N[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]N[6a])(CH3)(CHH)	C(CC[6a]C)(H)3	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(CCC)	C(C[6a]C[6a]N[6a])(CH3)(CHH)	C(CC[6a]C)(H)3	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(CCC){1|O<1>,4|C<3>}	118.1850	0.000	1	118.1850	0.000	1	118.1850	0.000	1	117.1940	6.036	72	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-3:	C-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-3:	C(C[6a]C[5a,6a]C[6a])(CH3)(NHH)	C(CC[6a]N)(H)3	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]O)(CCN)	C(C[6a]C[5a,6a]C[6a])(CH3)(NHH)	C(CC[6a]N)(H)3	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]O)(CCN){1|C<3>,1|H<1>,2|N<2>}	123.5540	0.000	1	123.5540	0.000	1	123.5540	0.000	1	117.1940	6.036	72	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-3:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(NBC)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CH3)(NBC)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	113.8730	0.000	1	113.8730	0.000	1	117.7539	36.493	7	117.1940	6.036	72	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-3:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(NCH)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(CH3)(NCH)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|H<1>}	121.5045	0.507	2	121.5045	0.257	2	117.7539	36.493	7	117.1940	6.036	72	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-3:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(NCH)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CH3)(NCH)	C(CC[6a]N)(H)3	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	110.2900	0.245	2	110.2900	0.060	2	117.7539	36.493	7	117.1940	6.036	72	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:N-3:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)(NHH)	C(CC[6a]N)(H)3	C[6a](C[6a]N[6a]O)2(CCN)	C(C[6a]C[6a]2)(CH3)(NHH)	C(CC[6a]N)(H)3	C[6a](C[6a]N[6a]O)2(CCN){1|C<3>,2|C<4>}	123.4075	0.320	2	123.4075	0.103	2	117.7539	36.493	7	117.1940	6.036	72	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:2:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C(C[6a]C[6a,6a]2)(CHHO)(CSiC)	C(CC[6a]C)(OH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCC)	C(C[6a]C[6a,6a]2)(CHHO)(CSiC)	C(CC[6a]C)(OH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCC){2|H<1>,5|C<3>}	111.0310	0.725	2	111.0310	0.526	2	111.0310	0.526	2	115.9947	7.436	26	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:2:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHO)(CCC)	C(CC[6a]C)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CHHO)(CCC)	C(CC[6a]C)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	113.0870	0.000	1	113.0870	0.000	1	116.4891	5.836	23	115.9947	7.436	26	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:2:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHO)(CCH)	C(CC[6a]C)(OC)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a]2)(CHHO)(CCH)	C(CC[6a]C)(OC)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCC){1|H<1>,2|C<3>}	117.7850	0.000	1	117.7850	0.000	1	116.4891	5.836	23	115.9947	7.436	26	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:2:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHO)(CCH)	C(CC[6a]C)(OC)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a]2)(CHHO)(CCH)	C(CC[6a]C)(OC)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCC){1|C<3>,2|H<1>}	116.2720	0.000	1	116.2720	0.000	1	116.4891	5.836	23	115.9947	7.436	26	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:2:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHO)(CCH)	C(CC[6a]C)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CHHO)(CCH)	C(CC[6a]C)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	117.2541	2.960	8	117.2541	8.762	8	116.4891	5.836	23	115.9947	7.436	26	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:2:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHO)(CCH)	C(CC[6a]C)(OC[6])(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CHHO)(CCH)	C(CC[6a]C)(OC[6])(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|Br<1>,1|C<3>,1|H<1>}	113.7830	0.000	1	115.1742	3.636	6	116.4891	5.836	23	115.9947	7.436	26	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:2:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHO)(CCH)	C(CC[6a]C)(OC[6])(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CHHO)(CCH)	C(CC[6a]C)(OC[6])(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	115.4524	1.991	5	115.1742	3.636	6	116.4891	5.836	23	115.9947	7.436	26	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:2:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHO)(CCH)	C(CC[6a]C)(OH)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CHHO)(CCH)	C(CC[6a]C)(OH)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	117.0220	2.411	4	117.0220	5.815	4	116.4891	5.836	23	115.9947	7.436	26	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:2:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHO)(CHH)	C(CC[6a]C)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CHHO)(CHH)	C(CC[6a]C)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	117.4695	0.158	2	117.4695	0.025	2	116.4891	5.836	23	115.9947	7.436	26	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:2:1:1:	3:3:3:	C[6a]-3:C-4:N-3:	C-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHO)(NCC)	C(CC[6a]N)(OH)(H)2	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CHHO)(NCC)	C(CC[6a]N)(OH)(H)2	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	114.5520	0.000	1	114.5520	0.000	1	114.5520	0.000	1	115.9947	7.436	26	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(CCF)	C(CC[6a]C)(CCC)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CCHH)(CCF)	C(CC[6a]C)(CCC)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	117.2660	0.000	1	117.2660	0.000	1	117.5298	3.754	8	116.9064	2.498	23	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(CCH)	C(CC[6a]C)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CCHH)(CCH)	C(CC[6a]C)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	117.8810	0.000	1	117.8810	0.000	1	117.5298	3.754	8	116.9064	2.498	23	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(CCH)	C(CC[6a]C)(COO)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CCHH)(CCH)	C(CC[6a]C)(COO)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	116.8360	0.000	1	116.8360	0.000	1	117.5298	3.754	8	116.9064	2.498	23	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(CCH)	C(CC[6a]C)2(H)2	C[6a](C[6a]C[6a]C)2(CCC)	C(C[6a]C[6a]2)(CCHH)(CCH)	C(CC[6a]C)2(H)2	C[6a](C[6a]C[6a]C)2(CCC){1|C<3>,2|H<1>}	118.1370	0.000	1	118.1370	0.000	1	117.5298	3.754	8	116.9064	2.498	23	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(CFeC)	C(CC[6a]C)(CCH)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CCHH)(CFeC)	C(CC[6a]C)(CCH)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	113.4280	0.000	1	113.4280	0.000	1	117.5298	3.754	8	116.9064	2.498	23	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(CHN)	C(CC[6a]C)(CC[6]O)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CCHH)(CHN)	C(CC[6a]C)(CC[6]O)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	119.7440	0.000	1	119.7440	0.000	1	117.5298	3.754	8	116.9064	2.498	23	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(CHS)	C(CC[6a]C)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CCHH)(CHS)	C(CC[6a]C)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	117.5440	0.000	1	117.5440	0.000	1	117.5298	3.754	8	116.9064	2.498	23	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(CSiH)	C(CC[6a]C)2(H)2	C[6a](C[6a]C[6a]C)2(CCC)	C(C[6a]C[6a]2)(CCHH)(CSiH)	C(CC[6a]C)2(H)2	C[6a](C[6a]C[6a]C)2(CCC){1|C<3>,2|H<1>}	119.4020	0.000	1	119.4020	0.000	1	117.5298	3.754	8	116.9064	2.498	23	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHN)(CBr2)	C(CC[6a]C)(NOO)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CHHN)(CBr2)	C(CC[6a]C)(NOO)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	115.9960	0.000	1	115.9960	0.000	1	116.9437	1.946	9	116.9064	2.498	23	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHN)(CCC)	C(CC[6a]C)(NHS)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CHHN)(CCC)	C(CC[6a]C)(NHS)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	115.1160	0.000	1	115.1160	0.000	1	116.9437	1.946	9	116.9064	2.498	23	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHN)(CCH)	C(CC[6a]C)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CHHN)(CCH)	C(CC[6a]C)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	116.1890	0.775	2	116.1890	0.601	2	116.9437	1.946	9	116.9064	2.498	23	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHN)(CCH)	C(CC[6a]C)(NCS)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC)	C(C[6a]C[6a]2)(CHHN)(CCH)	C(CC[6a]C)(NCS)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC){1|C<3>,1|C<4>,1|H<1>}	115.8730	0.000	1	115.8730	0.000	1	116.9437	1.946	9	116.9064	2.498	23	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHN)(CCO)	C(CC[6a]C)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CHHN)(CCO)	C(CC[6a]C)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	118.3413	0.785	3	118.3413	0.616	3	116.9437	1.946	9	116.9064	2.498	23	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHN)(CHH)	C(CC[6a]C)(NHS)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CHHN)(CHH)	C(CC[6a]C)(NHS)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	118.1060	0.000	1	118.1060	0.000	1	116.9437	1.946	9	116.9064	2.498	23	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[5a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5a]HH)(CHH)	C(C[5a]C[5a,6a]C[5a])(CC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[5a]HH)(CHH)	C(C[5a]C[5a,6a]C[5a])(CC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	115.1360	0.000	1	115.1360	0.000	1	115.1360	0.000	1	116.9064	2.498	23	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]HH)(CCH)	C(C[6a]C[6a]2)(CC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCC)	C(C[6a]C[6a]2)(CC[6a]HH)(CCH)	C(C[6a]C[6a]2)(CC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCC){1|C<3>,2|H<1>}	115.8610	0.000	1	115.8610	0.000	1	115.8257	0.123	3	116.9064	2.498	23	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	116.1570	0.000	1	116.1570	0.000	1	115.8257	0.123	3	116.9064	2.498	23	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]HH)(CHH)	C(C[6a]C[6a]2)(CC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]HH)(CHH)	C(C[6a]C[6a]2)(CC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	115.4590	0.000	1	115.4590	0.000	1	115.8257	0.123	3	116.9064	2.498	23	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N[5]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CN[5]HH)(CCH)	C(N[5]C[5]2)(CC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CN[5]HH)(CCH)	C(N[5]C[5]2)(CC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	117.9890	0.000	1	117.9890	0.000	1	116.7515	3.063	2	116.9064	2.498	23	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N[5]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CN[5]HH)(CHH)	C(N[5]C[5]2)(CC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CN[5]HH)(CHH)	C(N[5]C[5]2)(CC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	115.5140	0.000	1	115.5140	0.000	1	116.7515	3.063	2	116.9064	2.498	23	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:3:2:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHO)(CCH)	C(CC[6a]C)(CC[6a]O)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CCHO)(CCH)	C(CC[6a]C)(CC[6a]O)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	116.1140	0.000	1	116.1140	0.000	1	116.7625	0.841	2	118.1965	3.932	11	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:3:2:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHO)(CCH)	C(CC[6a]C)(CNO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CCHO)(CCH)	C(CC[6a]C)(CNO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	117.4110	0.000	1	117.4110	0.000	1	116.7625	0.841	2	118.1965	3.932	11	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:3:2:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:C-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]HN)(CC[5a]H)	C(C[6a]C[6a]2)(CC[6a]C)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]HN)(CC[5a]H)	C(C[6a]C[6a]2)(CC[6a]C)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	120.7650	0.000	1	120.7650	0.000	1	120.7650	0.000	1	118.1965	3.932	11	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:3:2:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]HO)(CCH)	C(C[6a]C[6a]N[6a])(CC[6a]C)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]HO)(CCH)	C(C[6a]C[6a]N[6a])(CC[6a]C)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	117.2305	0.288	2	117.2305	0.083	2	118.2340	3.965	8	118.1965	3.932	11	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:3:2:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]HO)(CCN)	C(C[6a]C[6a]2)(CC[6a]C)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]HO)(CCN)	C(C[6a]C[6a]2)(CC[6a]C)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	118.8005	1.467	2	118.8005	2.153	2	118.2340	3.965	8	118.1965	3.932	11	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:3:2:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]HO)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(OB)(H)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]HO)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(OB)(H)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	120.5430	2.273	2	120.5430	5.165	2	118.2340	3.965	8	118.1965	3.932	11	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:3:2:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]HO)(CHH)	C(C[6a]C[6a]2)(CC[6a]C)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]HO)(CHH)	C(C[6a]C[6a]2)(CC[6a]C)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	116.3620	0.161	2	116.3620	0.026	2	118.2340	3.965	8	118.1965	3.932	11	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCCH)(CAlH)	C(CC[6a]C)(CCN)2(H)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CCCH)(CAlH)	C(CC[6a]C)(CCN)2(H)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	115.4280	0.000	1	115.4280	0.000	1	115.7620	0.223	2	116.3986	11.435	15	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCCH)(CCH)	C(CC[6a]C)(CC[6a]O)2(H)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CCCH)(CCH)	C(CC[6a]C)(CC[6a]O)2(H)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	116.0960	0.000	1	116.0960	0.000	1	115.7620	0.223	2	116.3986	11.435	15	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]CH)(CCH)	C(C[6a]C[6a]2)(CC[6a]C)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]CH)(CCH)	C(C[6a]C[6a]2)(CC[6a]C)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	119.9300	0.000	1	119.9300	0.000	1	119.9300	0.000	1	116.3986	11.435	15	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]HN)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(NCO)(H)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]HN)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(NCO)(H)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	114.3250	1.502	2	114.3250	2.256	2	113.1614	3.654	5	116.3986	11.435	15	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]HN)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(NC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]HN)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(NC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	112.3857	1.981	3	112.3857	3.924	3	113.1614	3.654	5	116.3986	11.435	15	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]2H)(CClN)	C(C[6a]C[6a]2)2(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]2H)(CClN)	C(C[6a]C[6a]2)2(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	119.0090	0.000	1	119.0090	0.000	1	115.8153	7.725	3	116.3986	11.435	15	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]2H)(CN[5]Br)	C(C[6a]C[6a]2)2(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]2H)(CN[5]Br)	C(C[6a]C[6a]2)2(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	113.9440	0.000	1	113.9440	0.000	1	115.8153	7.725	3	116.3986	11.435	15	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]2H)(CN[5]Cl)	C(C[6a]C[6a]2)2(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]2H)(CN[5]Cl)	C(C[6a]C[6a]2)2(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	114.4930	0.000	1	114.4930	0.000	1	115.8153	7.725	3	116.3986	11.435	15	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:N-3:	C-3:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCCH)(NReH)	C(CC[6a]N)(CCN)2(H)	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CCCH)(NReH)	C(CC[6a]N)(CCN)2(H)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	120.1530	0.000	1	120.1530	0.000	1	120.1530	0.000	1	116.3986	11.435	15	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:N-3:	C[6]-3:N[5]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6]N[5]H)(NRuH)	C(C[6]C[6]N[6])(N[5]C[5]2)(CC[6a]N)(H)	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CC[6]N[5]H)(NRuH)	C(C[6]C[6]N[6])(N[5]C[5]2)(CC[6a]N)(H)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	119.5510	0.000	1	119.5510	0.000	1	119.5510	0.000	1	116.3986	11.435	15	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:N-3:	C[6a]-3:C-3:O-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]HO)(NNiO)	C(C[6a]C[6a]2)(CC[6a]N)(ONi2)(H)	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CC[6a]HO)(NNiO)	C(C[6a]C[6a]2)(CC[6a]N)(ONi2)(H)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	120.7840	0.778	2	120.7840	0.605	2	120.7840	0.605	2	116.3986	11.435	15	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:3:3:2:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]2O)(CC[6a]C)	C(C[6a]C[6a]2)2(CC[6a]C)(OB)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]2O)(CC[6a]C)	C(C[6a]C[6a]2)2(CC[6a]C)(OB)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	117.2520	0.000	1	117.2520	0.000	1	117.2520	0.000	1	117.2520	0.000	1	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:3:3:4:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]2C)(CC[6a]C)	C(C[6a]C[6a]2)2(CC[6a]C)(CHHO)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]2C)(CC[6a]C)	C(C[6a]C[6a]2)2(CC[6a]C)(CHHO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	114.3810	0.000	1	114.3810	0.000	1	114.3810	0.000	1	115.5140	2.567	2	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:3:3:4:	3:3:3:	C[6a]-3:C-4:N-3:	C[6a]-3:C-3:O-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]CO)(NC[6a]Pd)	C(C[6a]C[6a]2)(CC[6a]N)(OPdH)(CH3)	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CC[6a]CO)(NC[6a]Pd)	C(C[6a]C[6a]2)(CC[6a]N)(OPdH)(CH3)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	116.6470	0.000	1	116.6470	0.000	1	116.6470	0.000	1	115.5140	2.567	2	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]Ni)	C(C[6a]C[6a]2)(CC[6a]C)(CNiCH)(H)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]Ni)	C(C[6a]C[6a]2)(CC[6a]C)(CNiCH)(H)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	118.2530	0.000	1	118.2530	0.000	1	118.9693	0.409	3	118.5495	0.978	4	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]CH)(CN[5]H)	C(C[6a]C[6a]2)(CC[6a]C)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]CH)(CN[5]H)	C(C[6a]C[6a]2)(CC[6a]C)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	119.3275	0.221	2	119.3275	0.049	2	118.9693	0.409	3	118.5495	0.978	4	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6a]-3:C-4:N-3:	C[6]-3:C-3:P-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6]HP)(NReC)	C(C[6]C[6]N[6])(CC[6a]N)(PReCC)(H)	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CC[6]HP)(NReC)	C(C[6]C[6]N[6])(CC[6a]N)(PReCC)(H)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	117.2900	0.000	1	117.2900	0.000	1	117.2900	0.000	1	118.5495	0.978	4	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:4:1:1:	2:3:3:	C[6a]-3:C-4:C-3:	C-3:C-4:H-1:H-1:	N[6a]-2:N[6a]-3:C-3:	C(C[6a]N[6a]2)(CCHH)(CHN)	C(CC[6a]C)(CCHH)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(CCC)	C(C[6a]N[6a]2)(CCHH)(CHN)	C(CC[6a]C)(CCHH)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(CCC){1|C<3>,1|N<2>,1|O<1>}	123.5960	0.000	1	123.5960	0.000	1	123.5960	0.000	1	123.5960	0.000	1	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:C-4:F-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCFH)(CHH)	C(CC[6a]C)(CHHO)(F)(H)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CCFH)(CHH)	C(CC[6a]C)(CHHO)(F)(H)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	116.9800	0.000	1	116.9800	0.000	1	116.9800	0.000	1	118.1110	9.837	66	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-3:	C(C[6a]C[5,6a]C[6a])(CCHH)(CCH)	C(CC[6a]C)(CCHH)(H)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(CCC)	C(C[6a]C[5,6a]C[6a])(CCHH)(CCH)	C(CC[6a]C)(CCHH)(H)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(CCC){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	113.3410	0.000	1	113.3410	0.000	1	113.3410	0.000	1	118.1110	9.837	66	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(CCHH)(CCO)	C(CC[6a]C)(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a,6a]C[6a])(CCHH)(CCO)	C(CC[6a]C)(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(CCC){1|H<1>,4|C<3>}	117.4960	0.000	1	116.5875	1.651	2	116.5875	1.651	2	118.1110	9.837	66	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(CCHH)(CCO)	C(CC[6a]C)(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a,6a]C[6a])(CCHH)(CCO)	C(CC[6a]C)(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(CCC){1|O<2>,4|C<3>}	115.6790	0.000	1	116.5875	1.651	2	116.5875	1.651	2	118.1110	9.837	66	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(CBrC)	C(CC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CCHH)(CBrC)	C(CC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	113.7680	0.000	1	113.7680	0.000	1	116.9176	3.388	37	118.1110	9.837	66	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(CCC)	C(CC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CCHH)(CCC)	C(CC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	114.6840	0.000	1	114.6840	0.000	1	116.9176	3.388	37	118.1110	9.837	66	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(CCC)	C(CC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a]2)(CCHH)(CCC)	C(CC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|C<3>,2|H<1>}	114.1820	0.547	2	114.1820	0.300	2	116.9176	3.388	37	118.1110	9.837	66	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(CCC)	C(CC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CCHH)(CCC)	C(CC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	114.6930	0.000	1	114.6930	0.000	1	116.9176	3.388	37	118.1110	9.837	66	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(CCH)	C(CC[6a]C)(CC3)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CCHH)(CCH)	C(CC[6a]C)(CC3)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	117.2860	0.000	1	117.2860	0.000	1	116.9176	3.388	37	118.1110	9.837	66	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(CCH)	C(CC[6a]C)(CCCO)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CCHH)(CCH)	C(CC[6a]C)(CCCO)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	116.8520	0.457	2	116.8520	0.209	2	116.9176	3.388	37	118.1110	9.837	66	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(CCH)	C(CC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCC)	C(C[6a]C[6a]2)(CCHH)(CCH)	C(CC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCC){1|C<3>,1|C<4>,1|H<1>}	115.2435	0.977	4	115.2435	0.954	4	116.9176	3.388	37	118.1110	9.837	66	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(CCH)	C(CC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CCHH)(CCH)	C(CC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	117.6792	1.887	4	117.6792	3.560	4	116.9176	3.388	37	118.1110	9.837	66	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(CCH)	C(CC[6a]C)(CHHO)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CCHH)(CCH)	C(CC[6a]C)(CHHO)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	117.6057	0.362	3	117.6057	0.131	3	116.9176	3.388	37	118.1110	9.837	66	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(CCO)	C(CC[6a]C)(CC3)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CCHH)(CCO)	C(CC[6a]C)(CC3)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	118.7070	0.000	1	118.7070	0.000	1	116.9176	3.388	37	118.1110	9.837	66	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(CCO)	C(CC[6a]C)(CHHN)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CCHH)(CCO)	C(CC[6a]C)(CHHN)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	119.0150	0.000	1	119.0150	0.000	1	116.9176	3.388	37	118.1110	9.837	66	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(CClH)	C(CC[6a]C)(CCHS)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CCHH)(CClH)	C(CC[6a]C)(CCHS)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	118.2970	0.000	1	118.2970	0.000	1	116.9176	3.388	37	118.1110	9.837	66	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(CGeC)	C(CC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]C)2(CCC)	C(C[6a]C[6a]2)(CCHH)(CGeC)	C(CC[6a]C)(CH3)(H)2	C[6a](C[6a]C[6a]C)2(CCC){1|C<3>,2|H<1>}	116.6700	0.000	1	116.6700	0.000	1	116.9176	3.388	37	118.1110	9.837	66	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(CHH)	C(CC[6a]C)(CCCO)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CCHH)(CHH)	C(CC[6a]C)(CCCO)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	118.6225	0.115	2	118.6225	0.013	2	116.9176	3.388	37	118.1110	9.837	66	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(CHH)	C(CC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a]2)(CCHH)(CHH)	C(CC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|C<3>,1|H<1>,1|O<2>}	115.9810	0.000	1	115.9810	0.000	1	116.9176	3.388	37	118.1110	9.837	66	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(CHH)	C(CC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCC)	C(C[6a]C[6a]2)(CCHH)(CHH)	C(CC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCC){1|C<3>,2|H<1>}	117.7840	1.143	3	117.7840	1.306	3	116.9176	3.388	37	118.1110	9.837	66	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(CHH)	C(CC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CCHH)(CHH)	C(CC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	115.3570	1.305	3	115.3570	1.704	3	116.9176	3.388	37	118.1110	9.837	66	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(CHH)	C(CC[6a]C)(CCHO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCC)	C(C[6a]C[6a]2)(CCHH)(CHH)	C(CC[6a]C)(CCHO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCC){1|C<3>,2|H<1>}	115.9980	0.000	1	115.9980	0.000	1	116.9176	3.388	37	118.1110	9.837	66	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(CMoH)	C(CC[6a]C)(CMoHH)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CCHH)(CMoH)	C(CC[6a]C)(CMoHH)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	119.2510	0.000	1	119.2510	0.000	1	116.9176	3.388	37	118.1110	9.837	66	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(CNiO)	C(CC[6a]C)(CCCH)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CCHH)(CNiO)	C(CC[6a]C)(CCCH)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	119.4527	0.391	3	119.4527	0.153	3	116.9176	3.388	37	118.1110	9.837	66	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHN)(CSiC)	C(CC[6a]C)(NCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a]2)(CHHN)(CSiC)	C(CC[6a]C)(NCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|C<3>,2|H<1>}	113.3600	0.000	1	113.3600	0.000	1	113.3600	0.000	1	118.1110	9.837	66	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:S-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHS)(CHH)	C(CC[6a]C)(SCOO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCC)	C(C[6a]C[6a]2)(CHHS)(CHH)	C(CC[6a]C)(SCOO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCC){1|C<3>,2|H<1>}	118.7210	0.000	1	118.7210	0.000	1	118.7210	0.000	1	118.1110	9.837	66	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:N-3:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(NAlC)	C(CC[6a]N)(CCCO)(H)2	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CCHH)(NAlC)	C(CC[6a]N)(CCCO)(H)2	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	115.8005	0.552	2	115.8005	0.305	2	121.3261	10.816	19	118.1110	9.837	66	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:N-3:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(NCoC)	C(CC[6a]N)(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(CCHH)(NCoC)	C(CC[6a]N)(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|H<1>}	118.4390	0.006	2	118.4390	0.000	2	121.3261	10.816	19	118.1110	9.837	66	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:N-3:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(NFeO)	C(CC[6a]N)(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(CCHH)(NFeO)	C(CC[6a]N)(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|H<1>}	121.2227	1.013	3	121.2227	1.026	3	121.3261	10.816	19	118.1110	9.837	66	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:N-3:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(NHH)	C(CC[6a]N)(CH3)(H)2	C[6a](C[6a]N[6a]O)2(CCN)	C(C[6a]C[6a]2)(CCHH)(NHH)	C(CC[6a]N)(CH3)(H)2	C[6a](C[6a]N[6a]O)2(CCN){1|C<3>,2|C<4>}	123.3510	0.000	1	123.3510	0.000	1	121.3261	10.816	19	118.1110	9.837	66	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:N-3:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(NPdN)	C(CC[6a]N)(CH3)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CCN)	C(C[6a]C[6a]2)(CCHH)(NPdN)	C(CC[6a]N)(CH3)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CCN){1|C<3>,2|H<1>}	123.9714	1.099	9	123.9714	1.207	9	121.3261	10.816	19	118.1110	9.837	66	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:N-3:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(NZnC)	C(CC[6a]N)(CCCO)(H)2	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CCHH)(NZnC)	C(CC[6a]N)(CCCO)(H)2	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	116.9775	0.103	2	116.9775	0.011	2	121.3261	10.816	19	118.1110	9.837	66	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:N-3:	C-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHN)(NNiO)	C(CC[6a]N)(NNiCC)(H)2	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CHHN)(NNiO)	C(CC[6a]N)(NNiCC)(H)2	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	119.1520	0.750	2	119.1520	0.562	2	119.1520	0.562	2	118.1110	9.837	66	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:N-3:	C-3:Si-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CSiHH)(NMg2)	C(CC[6a]N)(SiC3)(H)2	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CSiHH)(NMg2)	C(CC[6a]N)(SiC3)(H)2	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	115.1480	0.297	2	115.1480	0.088	2	115.1480	0.088	2	118.1110	9.837	66	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:4:2:2:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:C-4:C-2:C-2:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC3)(CCC)	C(CC[6a]C)(CCHH)(CN)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC3)(CCC)	C(CC[6a]C)(CCHH)(CN)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	115.2890	0.000	1	115.2890	0.000	1	115.4225	0.036	2	115.4225	0.036	2	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:4:2:2:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:C-4:C-2:C-2:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC3)(CCH)	C(CC[6a]C)(CH3)(CN)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC3)(CCH)	C(CC[6a]C)(CH3)(CN)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	115.5560	0.000	1	115.5560	0.000	1	115.4225	0.036	2	115.4225	0.036	2	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCCH)(CCC)	C(CC[6a]C)(CCCH)2(H)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CCCH)(CCC)	C(CC[6a]C)(CCCH)2(H)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	120.2440	0.000	1	120.2440	0.000	1	120.2440	0.000	1	120.5294	9.649	5	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:N-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHN)(CHH)	C(CC[6a]C)(NCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CCHN)(CHH)	C(CC[6a]C)(NCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	115.4590	0.000	1	115.4590	0.000	1	115.4590	0.000	1	120.5294	9.649	5	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:N-3:	C-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCCH)(NRhH)	C(CC[6a]N)(CH3)2(H)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(CCN)	C(C[6a]C[6a]2)(CCCH)(NRhH)	C(CC[6a]N)(CH3)2(H)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(CCN){1|C<3>,2|H<1>}	122.3147	1.274	3	122.3147	1.622	3	122.3147	1.622	3	120.5294	9.649	5	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:4:4:3:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:C-4:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC3)(CCC)	C(CC[6a]C)(CCHH)(CHHO)(COO)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC3)(CCC)	C(CC[6a]C)(CCHH)(CHHO)(COO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	120.4530	0.000	1	120.4530	0.000	1	120.4530	0.000	1	120.4530	0.000	1	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	3:4:4:4:	3:3:3:	C[6a]-3:C-4:C-3:	C-3:N-4:C-4:C-4:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCCN)(CHH)	C(CC[6a]C)(NCHH)(CH3)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a]2)(CCCN)(CHH)	C(CC[6a]C)(NCHH)(CH3)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|C<3>,2|H<1>}	118.7813	1.642	3	118.7813	2.695	3	118.7813	2.695	3	118.7813	2.695	3	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-3:	C(C[6a]C[5,6a]C[6a])(CCHH)(CHH)	C(CC[3]HH)(CC[6a]C)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[3])(CCC)	C(C[6a]C[5,6a]C[6a])(CCHH)(CHH)	C(CC[3]HH)(CC[6a]C)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[3])(CCC){1|C<3>,1|H<1>,1|O<1>,5|C<4>}	117.3140	0.000	1	117.3140	0.000	1	117.3140	0.000	1	118.0186	5.029	28	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(CCC)	C(CC[6a]CH)(CC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CCHH)(CCC)	C(CC[6a]CH)(CC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	118.7210	0.000	1	118.7210	0.000	1	117.5584	4.809	7	118.0186	5.029	28	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(CCH)	C(CC[5]HH)(CC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CCHH)(CCH)	C(CC[5]HH)(CC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	115.5910	0.000	1	115.5910	0.000	1	117.5584	4.809	7	118.0186	5.029	28	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(CCH)	C(CC[5a]C[6a]H)(CC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CCHH)(CCH)	C(CC[5a]C[6a]H)(CC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	117.8710	0.000	1	117.8710	0.000	1	117.5584	4.809	7	118.0186	5.029	28	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(CCH)	C(CC[6a]CH)(CC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CCHH)(CCH)	C(CC[6a]CH)(CC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	121.0850	0.000	1	121.0850	0.000	1	117.5584	4.809	7	118.0186	5.029	28	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(CCN)	C(CC[6a]CH)(CC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CCHH)(CCN)	C(CC[6a]CH)(CC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	114.6740	0.000	1	114.6740	0.000	1	117.5584	4.809	7	118.0186	5.029	28	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(CCN)	C(CC[6a]CO)(CC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CCHH)(CCN)	C(CC[6a]CO)(CC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	116.3080	0.000	1	116.3080	0.000	1	117.5584	4.809	7	118.0186	5.029	28	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(CHH)	C(CC[6a]HN)(CC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CCHH)(CHH)	C(CC[6a]HN)(CC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	118.6590	0.000	1	118.6590	0.000	1	117.5584	4.809	7	118.0186	5.029	28	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[3]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[3]HH)(CC[6a]2)	C(C[3]C[3]2H)(CC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[3]HH)(CC[6a]2)	C(C[3]C[3]2H)(CC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	113.9450	0.000	1	113.9450	0.000	1	115.2092	5.066	4	118.0186	5.029	28	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[3]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[3]HH)(CC[6a]O)	C(C[3]C[3]2H)(CC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[3]HH)(CC[6a]O)	C(C[3]C[3]2H)(CC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	117.0730	0.765	2	117.0730	0.585	2	115.2092	5.066	4	118.0186	5.029	28	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[3]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[3]HH)(CC[6a]P)	C(C[3]C[3]2H)(CC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[3]HH)(CC[6a]P)	C(C[3]C[3]2H)(CC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	112.7460	0.000	1	112.7460	0.000	1	115.2092	5.066	4	118.0186	5.029	28	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[5]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5]HH)(CCC)	C(C[5]C[5,6a]C[5]N)(CC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[5]HH)(CCC)	C(C[5]C[5,6a]C[5]N)(CC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	119.2715	0.691	2	119.2715	0.477	2	118.6760	3.505	5	118.0186	5.029	28	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[5]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5]HH)(CHH)	C(C[5]C[5]N[5]H)(CC[6a]C)(H)2	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CCC)	C(C[6a]C[6a]2)(CC[5]HH)(CHH)	C(C[5]C[5]N[5]H)(CC[6a]C)(H)2	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CCC){1|C<3>,2|H<1>}	120.0000	0.000	1	120.0000	0.000	1	118.6760	3.505	5	118.0186	5.029	28	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[5]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5]HH)(CHH)	C(C[5]C[5a]C[5]2)(CC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[5]HH)(CHH)	C(C[5]C[5a]C[5]2)(CC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	119.4080	0.000	1	119.4080	0.000	1	118.6760	3.505	5	118.0186	5.029	28	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[5]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5]HH)(CSiC)	C(C[5]C[5,6a]C[5]H)(CC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[5]HH)(CSiC)	C(C[5]C[5,6a]C[5]H)(CC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	115.4290	0.000	1	115.4290	0.000	1	118.6760	3.505	5	118.0186	5.029	28	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[6]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6]HH)(CHH)	C(C[6]C[6]2C)(CC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6]HH)(CHH)	C(C[6]C[6]2C)(CC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|Cl<1>,1|C<3>,1|H<1>}	118.6850	0.000	1	118.6850	0.000	1	118.6850	0.000	1	118.0186	5.029	28	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	N[6]-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CN[6]HH)(CFH)	C(N[6]C[6]2H)(CC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CN[6]HH)(CFH)	C(N[6]C[6]2H)(CC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	121.1690	0.000	1	121.1690	0.000	1	121.1690	0.000	1	118.0186	5.029	28	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	S-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHS)(CCC)	C(SC[6a]OO)(CC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CHHS)(CCC)	C(SC[6a]OO)(CC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	117.0285	0.484	2	117.0285	0.235	2	118.3960	1.855	7	118.0186	5.029	28	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	S-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHS)(CCH)	C(SC[6a]OO)(CC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CHHS)(CCH)	C(SC[6a]OO)(CC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	117.8070	0.024	2	117.8070	0.001	2	118.3960	1.855	7	118.0186	5.029	28	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	S-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHS)(CHH)	C(SC[6a]OO)(CC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCC)	C(C[6a]C[6a]2)(CHHS)(CHH)	C(SC[6a]OO)(CC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCC){1|C<3>,2|H<1>}	120.1705	0.182	2	120.1705	0.033	2	118.3960	1.855	7	118.0186	5.029	28	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	S-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CHHS)(CHN)	C(SC[6a]OO)(CC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CHHS)(CHN)	C(SC[6a]OO)(CC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	118.7600	0.000	1	118.7600	0.000	1	118.3960	1.855	7	118.0186	5.029	28	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:N-3:	B-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CBHH)(NCH)	C(BC[6a]3)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CBHH)(NCH)	C(BC[6a]3)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	119.1750	0.000	1	119.1750	0.000	1	119.1750	0.000	1	118.0186	5.029	28	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:N-3:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHH)(NHH)	C(CC[5]CC)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CCHH)(NHH)	C(CC[5]CC)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	122.2810	0.000	1	122.2810	0.000	1	122.2810	0.000	1	118.0186	5.029	28	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	4:3:2:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[5]-4:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5]HO)(CCH)	C(C[5]C[5]N[5]H)(CC[6a]C)(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC)	C(C[6a]C[6a]2)(CC[5]HO)(CCH)	C(C[5]C[5]N[5]H)(CC[6a]C)(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC){1|C<3>,2|H<1>}	115.7130	0.000	1	115.7130	0.000	1	116.4045	0.956	2	117.9410	3.581	6	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	4:3:2:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[5]-4:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5]HO)(CCH)	C(C[5]C[5]N[5]H)(CC[6a]C)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC)	C(C[6a]C[6a]2)(CC[5]HO)(CCH)	C(C[5]C[5]N[5]H)(CC[6a]C)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC){1|C<3>,2|H<1>}	117.0960	0.000	1	117.0960	0.000	1	116.4045	0.956	2	117.9410	3.581	6	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	4:3:2:1:	3:3:3:	C[6a]-3:C-4:C-3:	C[6]-4:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6]HO)(CHN)	C(C[6]C[6]2H)(CC[6a]C)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6]HO)(CHN)	C(C[6]C[6]2H)(CC[6a]C)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	118.7092	1.814	4	118.7092	3.289	4	118.7092	3.289	4	117.9410	3.581	6	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	4:3:3:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-4:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCHN)(CHH)	C(CC[6a]HN)(CC[6a]C)(NOO)(H)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CCHN)(CHH)	C(CC[6a]HN)(CC[6a]C)(NOO)(H)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	116.7650	0.000	1	116.7650	0.000	1	116.7650	0.000	1	116.7650	0.000	1	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	4:3:4:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-4:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCCH)(CHH)	C(CC[6a]HN)(CC[6a]C)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CCCH)(CHH)	C(CC[6a]HN)(CC[6a]C)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	119.7030	0.000	1	119.7030	0.000	1	118.7045	1.994	2	118.7457	1.002	3	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	4:3:4:1:	3:3:3:	C[6a]-3:C-4:C-3:	C-4:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CCCH)(CHH)	C(CC[6a]HO)(CC[6a]C)(CHHS)(H)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CCCH)(CHH)	C(CC[6a]HO)(CC[6a]C)(CHHS)(H)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	117.7060	0.000	1	117.7060	0.000	1	118.7045	1.994	2	118.7457	1.002	3	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	4:3:4:1:	3:3:3:	C[6a]-3:C-4:N-3:	B-4:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CBCH)(NCH)	C(BC[6a]3)(CC[6a]N)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CBCH)(NCH)	C(BC[6a]3)(CC[6a]N)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	118.8280	0.000	1	118.8280	0.000	1	118.8280	0.000	1	118.7457	1.002	3	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:3:	4:4:3:1:	3:3:3:	C[6a]-3:C-4:C-3:	S-4:S-4:C-3:F-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CFSS)(CCH)	C(SC[6a]OO)2(CC[6a]C)(F)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CFSS)(CCH)	C(SC[6a]OO)2(CC[6a]C)(F)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	116.7540	0.000	2	116.7540	0.000	2	116.7540	0.000	2	116.7540	0.000	2	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]RhH)(CH3)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a]2)(CC[6a]RhH)(CH3)	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(CCC){1|C<3>,2|H<1>}	118.8730	0.000	1	118.8730	0.000	1	112.8793	6.823	27	112.8793	6.823	27	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)2	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a,6a]H)2(CCC)	C(C[6a]C[6a]2)(CH3)2	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a,6a]H)2(CCC){3|C<3>}	116.7580	2.547	2	116.7580	6.487	2	112.8793	6.823	27	112.8793	6.823	27	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)2	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a]2)(CH3)2	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|C<3>,2|C<4>}	112.2590	3.124	2	112.2590	9.759	2	112.8793	6.823	27	112.8793	6.823	27	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)2	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCC)	C(C[6a]C[6a]2)(CH3)2	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCC){1|C<3>,1|C<4>,1|H<1>}	110.0830	0.400	2	110.0830	0.160	2	112.8793	6.823	27	112.8793	6.823	27	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)2	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CH3)2	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,1|S<2>,1|S<3>}	114.6845	0.500	2	113.7771	4.159	8	112.8793	6.823	27	112.8793	6.823	27	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)2	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CH3)2	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|C<4>}	114.2085	2.948	2	113.7771	4.159	8	112.8793	6.823	27	112.8793	6.823	27	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)2	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CH3)2	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	111.6215	2.115	2	113.7771	4.159	8	112.8793	6.823	27	112.8793	6.823	27	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)2	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CH3)2	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(CCC){1|C<4>,2|C<3>}	114.5940	1.747	2	113.7771	4.159	8	112.8793	6.823	27	112.8793	6.823	27	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)2	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a]2)(CH3)2	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCC){1|H<1>,4|C<3>}	111.2627	1.177	8	111.2627	1.386	8	112.8793	6.823	27	112.8793	6.823	27	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)2	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a]2)(CH3)2	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCC){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	113.5325	2.913	2	113.5325	8.483	2	112.8793	6.823	27	112.8793	6.823	27	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CH3)2	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a]2)(CH3)2	C(CC[6a]C)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCC){1|H<1>,4|C<3>}	111.6420	0.014	2	111.6420	0.000	2	112.8793	6.823	27	112.8793	6.823	27	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	3:4:4:	3:1:1:1:	4:4:3:	C[6a]-3:C-4:C-4:	C-3:H-1:H-1:H-1:	B[6a]-4:B[6a]-4:C-3:	C(C[6a]B[6a]2)(CH3)2	C(CC[6a]C)(H)3	C[6a](B[6a]O[6a]Cl2)2(CCC)	C(C[6a]B[6a]2)(CH3)2	C(CC[6a]C)(H)3	C[6a](B[6a]O[6a]Cl2)2(CCC){1|C<3>}	124.6545	0.190	2	124.6545	0.036	2	124.6545	0.036	2	124.6545	0.036	2	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	4:3:1:	3:3:3:1:	3:3:3:	C-4:C[6a]-3:O-1:	C[5a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(O)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(O)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	117.9300	0.000	1	117.9300	0.000	1	117.9300	0.000	1	120.8817	7.966	3	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	4:3:1:	3:3:3:1:	3:3:3:	C-4:C[6a]-3:O-1:	C[6a]-3:C[5]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(CC[6a]C[5]H)(C[6a]C[6a]2)(O)	C(C[6a]C[6a]2)(C[5]C[5]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO)	C(CC[6a]C[5]H)(C[6a]C[6a]2)(O)	C(C[6a]C[6a]2)(C[5]C[5]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	123.5540	0.000	1	123.5540	0.000	1	123.5540	0.000	1	120.8817	7.966	3	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	4:3:1:	3:3:3:1:	3:3:3:	C-4:C[6a]-3:O-1:	N[5a]-3:N[5]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(CN[5a]N[5]H)(C[6a]C[6a]2)(O)	C(N[5a]C[5a]N[5a])(N[5]C[5]S[5])(CC[6a]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCO)	C(CN[5a]N[5]H)(C[6a]C[6a]2)(O)	C(N[5a]C[5a]N[5a])(N[5]C[5]S[5])(CC[6a]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCO){1|C<3>,1|C<4>,1|H<1>}	121.1610	0.000	1	121.1610	0.000	1	121.1610	0.000	1	120.8817	7.966	3	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	4:3:1:	3:3:4:3:	3:3:3:	C-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:P[6]-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C(CC[6a]2P[6])(C[6a]C[6a]2)(O)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(P[6]O[6]2O)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]2P[6])(C[6a]C[6a]2)(O)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(P[6]O[6]2O)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	120.9890	0.000	1	120.9890	0.000	1	120.9890	0.000	1	120.9890	0.000	1	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	4:3:1:	3:4:3:1:	3:3:3:	C-4:C[6a]-3:O-1:	C[6a]-3:C[4]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(CC[6a]C[4]H)(C[6a]C[6a]2)(O)	C(C[6a]C[6a]2)(C[4]C[4]2H)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]C[4]H)(C[6a]C[6a]2)(O)	C(C[6a]C[6a]2)(C[4]C[4]2H)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	119.6080	0.000	1	119.6080	0.000	1	119.6080	0.000	1	119.6080	0.000	1	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	4:3:1:	4:3:3:1:	3:3:3:	C-4:C[6a]-3:O-1:	C[5,6]-4:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(CC[5,6]C[6a]H)(C[6a]C[6a]2)(O)	C(C[5,6]C[5,5,6]C[5,6]C)(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[5,6]C[6a]H)(C[6a]C[6a]2)(O)	C(C[5,6]C[5,5,6]C[5,6]C)(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.5830	0.000	1	118.5830	0.000	1	118.5830	0.000	1	119.7482	3.232	6	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	4:3:1:	4:3:3:1:	3:3:3:	C-4:C[6a]-3:O-1:	C[5]-4:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(CC[6a]C[5]H)(C[6a]C[6a]2)(O)	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	C(CC[6a]C[5]H)(C[6a]C[6a]2)(O)	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,2|H<1>}	119.5300	0.000	1	119.5300	0.000	1	119.5300	0.000	1	119.7482	3.232	6	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	4:3:1:	4:3:3:1:	3:3:3:	C-4:C[6a]-3:O-1:	C[6]-4:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(CC[6a]C[6]H)(C[6a]C[6a]2)(O)	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CCO)	C(CC[6a]C[6]H)(C[6a]C[6a]2)(O)	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CCO){1|C<3>,1|H<1>,1|O<2>}	121.6160	2.143	2	121.6160	4.590	2	120.0940	4.759	4	119.7482	3.232	6	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	4:3:1:	4:3:3:1:	3:3:3:	C-4:C[6a]-3:O-1:	C[6]-4:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(CC[6a]C[6]H)(C[6a]C[6a]2)(O)	C(C[6]C[6,6a]O[6]H)(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]C[6]H)(C[6a]C[6a]2)(O)	C(C[6]C[6,6a]O[6]H)(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	118.5720	0.649	2	118.5720	0.421	2	120.0940	4.759	4	119.7482	3.232	6	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP2_SP2_SP3	C	C	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	C-4:C[6a]-3:C-3:	C[5a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CCH)	C(C[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CCH)	C(C[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	115.4470	0.000	1	115.4470	0.000	1	115.4470	0.000	1	115.4470	0.000	1	118.8044	5.029	4027	118.8044	5.029	4027
930	490	643	0:SP3_SP2_SP3	C	C	C[6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6a]-3:C-4:O-1:	C[6,6]-4:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6,6]CH)(O)	C(C[6,6]C[3x6]C[6,6]C)(CC[6a]O)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6,6]CH)(O)	C(C[6,6]C[3x6]C[6,6]C)(CC[6a]O)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	120.1350	0.000	1	120.1350	0.000	1	120.1350	0.000	1	120.1350	0.000	1	120.1350	0.000	1	120.1350	0.000	1